Surface properties for α-cluster nuclear matter

NASA Astrophysics Data System (ADS)

Castro, J. J.; Soto, J. R.; Yépez, E.

2013-03-01

We introduce a new microscopic model for α-cluster matter, which simulates the properties of ordinary nuclear matter and α-clustering in a curved surface of a large but finite nucleus. The model is based on a nested icosahedral fullerene-like multiple-shell structure, where each vertex is occupied by a microscopic α-particle. The novel aspect of this model is that it allows a consistent description of nuclear surface properties from microscopic parameters to be made without using the leptodermous expansion. In particular, we show that the calculated surface energy is in excellent agreement with the corresponding coefficient of the Bethe-Weizäcker semi-empirical mass formula. We discuss the properties of the surface α-cluster state, which resembles an ultra cold bosonic quantum gas trapped in an optical lattice. By comparing the surface and interior states we are able to estimate the α preformation probability. Possible extensions of this model to study nuclear dynamics through surface vibrations and departures from approximate sphericity are mentioned.

Designing the Rashba spin texture by adsorption of inorganic molecules

NASA Astrophysics Data System (ADS)

Friedrich, Rico; Caciuc, Vasile; Bihlmayer, Gustav; Atodiresei, Nicolae; Blügel, Stefan

We present an approach in which we show that the spin texture of a surface Rashba system can be adjusted by the adsorption of molecules. By selecting physisorbed and chemisorbed inorganic molecules on the BiAg2/Ag(111) surface alloy we demonstrate from ab initio that both the spin-orbit splitting and the spin direction of Rashba-split surface states can be controlled selectively. The physisorption of NH3 gives rise to a slightly enhanced outward buckling of the surface Bi which enlarges the magnitude of the Rashba splitting. On the contrary, the weak chemisorption of BH3 defines a strong inward relaxation of the surface Bi. This causes the occupied Rashba split state to shift into Ag bulk states. In addition a new Rashba splitting is created in an unoccupied state upon BH3 adsorption. Most importantly, in contrast to the clean surface in case of the BH3-BiAg2/Ag(111) system the out-of-plane spin polarization is significantly larger than the in-plane one. We gratefully acknowledge financial support from the Volkswagen-Stiftung through the Optically Controlled Spin Logic project and SFB 1238 (Project C01).

Ultrafast dynamics of an unoccupied surface resonance state in B i2T e2Se

NASA Astrophysics Data System (ADS)

Munisa, Nurmamat; Krasovskii, E. E.; Ishida, Y.; Sumida, K.; Chen, Jiahua; Yoshikawa, T.; Chulkov, E. V.; Kokh, K. A.; Tereshchenko, O. E.; Shin, S.; Kimura, Akio

2018-03-01

Electronic structure and electron dynamics in the ternary topological insulator B i2T e2Se are studied with time- and angle-resolved photoemission spectroscopy using optical pumping. An unoccupied surface resonance split off from the bulk conduction band previously indirectly observed in scanning tunneling measurements is spectroscopically identified. Furthermore, an unoccupied topological surface state (TSS) is found, which is serendipitously located at about 1.5 eV above the occupied TSS, thereby facilitating direct optical transitions between the two surface states at ℏ ω =1.5 eV in an n -type topological insulator. An appreciable nonequilibrium population of the bottom of the bulk conduction band is observed for longer than 15 ps after the pump pulse. This leads to a long recovery time of the lower TSS, which is constantly populated by the electrons coming from the bulk conduction band. Our results demonstrate B i2T e2Se to be an ideal platform for designing future optoelectronic devices based on topological insulators.

Excess electrons in ice: a density functional theory study.

PubMed

Bhattacharya, Somesh Kr; Inam, Fakharul; Scandolo, Sandro

2014-02-21

We present a density functional theory study of the localization of excess electrons in the bulk and on the surface of crystalline and amorphous water ice. We analyze the initial stages of electron solvation in crystalline and amorphous ice. In the case of crystalline ice we find that excess electrons favor surface states over bulk states, even when the latter are localized at defect sites. In contrast, in amorphous ice excess electrons find it equally favorable to localize in bulk and in surface states which we attribute to the preexisting precursor states in the disordered structure. In all cases excess electrons are found to occupy the vacuum regions of the molecular network. The electron localization in the bulk of amorphous ice is assisted by its distorted hydrogen bonding network as opposed to the crystalline phase. Although qualitative, our results provide a simple interpretation of the large differences observed in the dynamics and localization of excess electrons in crystalline and amorphous ice films on metals.

Enabling Highly Effective Boiling from Superhydrophobic Surfaces

NASA Astrophysics Data System (ADS)

Allred, Taylor P.; Weibel, Justin A.; Garimella, Suresh V.

2018-04-01

A variety of industrial applications such as power generation, water distillation, and high-density cooling rely on heat transfer processes involving boiling. Enhancements to the boiling process can improve the energy efficiency and performance across multiple industries. Highly wetting textured surfaces have shown promise in boiling applications since capillary wicking increases the maximum heat flux that can be dissipated. Conversely, highly nonwetting textured (superhydrophobic) surfaces have been largely dismissed for these applications as they have been shown to promote formation of an insulating vapor film that greatly diminishes heat transfer efficiency. The current Letter shows that boiling from a superhydrophobic surface in an initial Wenzel state, in which the surface texture is infiltrated with liquid, results in remarkably low surface superheat with nucleate boiling sustained up to a critical heat flux typical of hydrophilic wetting surfaces, and thus upends this conventional wisdom. Two distinct boiling behaviors are demonstrated on both micro- and nanostructured superhydrophobic surfaces based on the initial wetting state. For an initial surface condition in which vapor occupies the interstices of the surface texture (Cassie-Baxter state), premature film boiling occurs, as has been commonly observed in the literature. However, if the surface texture is infiltrated with liquid (Wenzel state) prior to boiling, drastically improved thermal performance is observed; in this wetting state, the three-phase contact line is pinned during vapor bubble growth, which prevents the development of a vapor film over the surface and maintains efficient nucleate boiling behavior.

Quasiparticle Interfacial Level Alignment of Highly Hybridized Frontier Levels: H2O on TiO2(110)

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

Migani, Annapaola; Mowbray, Duncan J.; Zhao, Jin

Knowledge of the frontier levels’ alignment prior to photoirradiation is necessary to achieve a complete quantitative description of H2O photocatalysis on TiO2(110). Although H2O on rutile TiO2(110) has been thoroughly studied both experimentally and theoretically, a quantitative value for the energy of the highest H2O occupied levels is still lacking. For experiment, this is due to the H2O levels being obscured by hybridization with TiO2(110) levels in the difference spectra obtained via ultraviolet photoemission spectroscopy (UPS). For theory, this is due to inherent difficulties in properly describing many-body effects at the H2O–TiO2(110) interface. Using the projected density of states (DOS)more » from state-of-the-art quasiparticle (QP) G0W0, we disentangle the adsorbate and surface contributions to the complex UPS spectra of H2O on TiO2(110). We perform this separation as a function of H2O coverage and dissociation on stoichiometric and reduced surfaces. Due to hybridization with the TiO2(110) surface, the H2O 3a1 and 1b1 levels are broadened into several peaks between 5 and 1 eV below the TiO2(110) valence band maximum (VBM). These peaks have both intermolecular and interfacial bonding and antibonding character. We find the highest occupied levels of H2O adsorbed intact and dissociated on stoichiometric TiO2(110) are 1.1 and 0.9 eV below the VBM. We also find a similar energy of 1.1 eV for the highest occupied levels of H2O when adsorbed dissociatively on a bridging O vacancy of the reduced surface. In both cases, these energies are significantly higher (by 0.6 to 2.6 eV) than those estimated from UPS difference spectra, which are inconclusive in this energy region. Finally, we apply self-consistent QPGW (scQPGW1) to obtain the ionization potential of the H2O–TiO2(110) interface.« less

Quasiparticle interfacial level alignment of highly hybridized frontier levels: H2O on TiO2(110).

PubMed

Migani, Annapaola; Mowbray, Duncan J; Zhao, Jin; Petek, Hrvoje

2015-01-13

Knowledge of the frontier levels' alignment prior to photoirradiation is necessary to achieve a complete quantitative description of H2O photocatalysis on TiO2(110). Although H2O on rutile TiO2(110) has been thoroughly studied both experimentally and theoretically, a quantitative value for the energy of the highest H2O occupied levels is still lacking. For experiment, this is due to the H2O levels being obscured by hybridization with TiO2(110) levels in the difference spectra obtained via ultraviolet photoemission spectroscopy (UPS). For theory, this is due to inherent difficulties in properly describing many-body effects at the H2O-TiO2(110) interface. Using the projected density of states (DOS) from state-of-the-art quasiparticle (QP) G0W0, we disentangle the adsorbate and surface contributions to the complex UPS spectra of H2O on TiO2(110). We perform this separation as a function of H2O coverage and dissociation on stoichiometric and reduced surfaces. Due to hybridization with the TiO2(110) surface, the H2O 3a1 and 1b1 levels are broadened into several peaks between 5 and 1 eV below the TiO2(110) valence band maximum (VBM). These peaks have both intermolecular and interfacial bonding and antibonding character. We find the highest occupied levels of H2O adsorbed intact and dissociated on stoichiometric TiO2(110) are 1.1 and 0.9 eV below the VBM. We also find a similar energy of 1.1 eV for the highest occupied levels of H2O when adsorbed dissociatively on a bridging O vacancy of the reduced surface. In both cases, these energies are significantly higher (by 0.6 to 2.6 eV) than those estimated from UPS difference spectra, which are inconclusive in this energy region. Finally, we apply self-consistent QPGW (scQPGW1) to obtain the ionization potential of the H2O-TiO2(110) interface.

Terahertz plasmon and surface-plasmon modes in hollow nanospheres

PubMed Central

2012-01-01

We present a theoretical study of the electronic subband structure and collective electronic excitation associated with plasmon and surface plasmon modes in metal-based hollow nanosphere. The dependence of the electronic subband energy on the sample parameters of the hollow nanosphere is examined. We find that the subband states with different quantum numbers l degenerate roughly when the outer radius of the sphere is r2 ≥ 100 nm. In this case, the energy spectrum of a sphere is mainly determined by quantum number n. Moreover, the plasmon and surface plasmon excitations can be achieved mainly via inter-subband transitions from occupied subbands to unoccupied subbands. We examine the dependence of the plasmon and surface-plasmon frequencies on the shell thickness d and the outer radius r2 of the sphere using the standard random-phase approximation. We find that when a four-state model is employed for calculations, four branches of the plasmon and surface plasmon oscillations with terahertz frequencies can be observed, respectively. PMID:23092121

Single-electron population and depopulation of an isolated quantum dot using a surface-acoustic-wave pulse.

PubMed

Kataoka, M; Schneble, R J; Thorn, A L; Barnes, C H W; Ford, C J B; Anderson, D; Jones, G A C; Farrer, I; Ritchie, D A; Pepper, M

2007-01-26

We use a pulse of surface acoustic waves (SAWs) to control the electron population and depopulation of a quantum dot. The barriers between the dot and reservoirs are set high to isolate the dot. Within a time scale of approximately 100 s the dot can be set to a nonequilibrium charge state, where an empty (occupied) level stays below (above) the Fermi energy. A pulse containing a fixed number of SAW periods is sent through the dot, controllably changing the potential, and hence the tunneling probability, to add (remove) an electron to (from) the dot.

40 CFR 745.326 - Renovation: State and Tribal program requirements.

Code of Federal Regulations, 2010 CFR

2010-07-01

... distribution of lead hazard information to owners and occupants of target housing and child-occupied facilities... diverse audience of housing and child-occupied facility owners and occupants in that State or Tribe. (i) A...

Passivation effect of Cl, F and H atoms on CuIn0.75Ga0.25Se2 (1 1 2) surface

NASA Astrophysics Data System (ADS)

Qi, Rong-fei; Wang, Zhao-hui; Tang, Fu-ling; Agbonkina, Itohan C.; Xue, Hong-tao; Si, Feng-juan; Ma, Sheng-ling; Wang, Xiao-ka

2018-06-01

Using the first-principles calculations within the density functional-theory (DFT) framework, we theoretically investigated the surface reconstruction, surface states near the Fermi level and their passivation on CuIn0.75Ga0.25Se2 (1 1 2) (CIGS) surface by chlorine, fluorine and hydrogen. Surface reconstruction appears on CIG-terminated CIGS (1 1 2) surface and it is a self-passivation. For the locations of Cl, F and H atoms adsorbing on Se-terminated CIGS (1 1 2) surface, four high symmetry adsorption sites: top sites, bridge sites, hexagonal close-packed (hcp) sites and faced centered cubic (fcc) sites were studied respectively. With the coverage of 0.5 monolayer (ML), Cl, F and H adatoms energetically occupy the top sites on the CIGS (112) surface. The corresponding adsorption energies were -2.20 eV, -3.29 eV, -2.60 eV, respectively. The bond length and electronic properties were analyzed. We found that the surface state density near the Fermi level was markedly diminished for 0.5 ML Cl, F and H adsorption on Se-terminated CIGS (1 1 2) surface at top sites. It was also found that H can more efficiently passivate the surface state density than Cl and F atoms, and the effect of adsorption of Cl atoms is better than that of F.

Electron solvation and localization at interfaces

NASA Astrophysics Data System (ADS)

Harris, Charles B.; Szymanski, Paul; Garrett-Roe, Sean; Miller, Andre D.; Gaffney, Kelly J.; Liu, Simon H.; Bezel, Ilya

2003-12-01

Two-photon photoemission of thiolate/Ag(111), nitrile/Ag(111), and alcohol/Ag(111) interfaces elucidates electron solvation and localization in two dimensions. For low coverages of thiolates on Ag(111), the occupied (HOMO) and unoccupied (LUMO) electronic states of the sulfer-silver bond are localized due to the lattice gas structure of the adsorbate. As the coverage saturates and the adsorbate-adsorbate nearest neighbor distance decreases, the HOMO and LUMO delocalize across many adsorbate molecules. Alcohol- and nitrile-covered Ag(111) surfaces solvate excess image potential state (IPS) electrons. In the case of alcohol-covered surfaces, this solvation is due to a shift in the local workfunction of the surface. For two-monolayer coverages of nitriles/Ag(111), localization accompanies solvation of the IPS. The size of the localized electron can be estimated by Fourier transformation of the wavefunction from momentum- to position-space. The IPS electron localizes to 15 +/- 4 angstroms full-width at half maximum in the plane of the surface, i.e., to a single lattice site.

Electronic structure and surface properties of MgB2(0001) upon oxygen adsorption

NASA Astrophysics Data System (ADS)

Kim, Chang-Eun; Ray, Keith G.; Bahr, David F.; Lordi, Vincenzo

2018-05-01

We use density-functional theory to investigate the bulk and surface properties of MgB2. The unique bonding structure of MgB2 is investigated by Bader's atoms-in-molecules, charge density difference, and occupancy projected band structure analyses. Oxygen adsorption on the charge-depleted surfaces of MgB2 is studied by a surface potential energy mapping method, reporting a complete map including low-symmetry binding sites. The B-terminated MgB2(0001) demonstrates reconstruction of the graphenelike B layer, and the reconstructed geometry exposes a threefold site of the subsurface Mg, making it accessible from the surface. Detailed reconstruction mechanisms are studied by simulated annealing method based on ab initio molecular dynamics and nudged elastic band calculations. The surface clustering of B atoms significantly modifies the B 2 p states to occupy low energy valence states. The present paper emphasizes that a thorough understanding of the surface phase may explain an apparent inconsistency in the experimental surface characterization of MgB2. Furthermore, these results suggest that the surface passivation can be an important technical challenge when it comes to development of a superconducting device using MgB2.

Tidal friction and generalized Cassini's laws in the solar system. [for planetary spin axis rotation

NASA Technical Reports Server (NTRS)

Ward, W. R.

1975-01-01

The tidal drift toward a generalized Cassini state of rotation of the spin axis of a planet or satellite in a precessing orbit is described. Generalized Cassini's laws are applied to several solar system objects and the location of their spin axes estimated. Of those considered only the moon definitely occupies state 2 with the spin axis near to the normal of the invariable plane. Most objects appear to occupy state 1 with the spin axis near to the orbit normal. Iapetus could occupy either state depending on its oblateness. In addition, the resonant rotation of Mercury is found to have little effect on the tidal drift of its spin axis toward state 1.

Surface states and annihilation characteristics of positrons trapped at the oxidized Cu(100) surface

NASA Astrophysics Data System (ADS)

Fazleev, N. G.; Weiss, A. H.

2013-06-01

In this work we present the results of theoretical studies of positron surface and bulk states and annihilation probabilities of surface-trapped positrons with relevant core electrons at the oxidized Cu(100) surface under conditions of high oxygen coverage. Oxidation of the Cu(100) surface has been studied by performing an ab-initio investigation of the stability and electronic structure of the Cu(100) missing row reconstructed surface at various on-surface and subsurface oxygen coverages ranging from 0.5 to 1.5 monolayers using density functional theory (DFT). All studied structures have been found to be energetically more favorable as compared to structures formed by purely on-surface oxygen adsorption. The observed decrease in the positron work function when oxygen atoms occupy on-surface and subsurface sites has been attributed to a significant charge redistribution within the first two layers, buckling effects within each layer and an interlayer expansion. The computed positron binding energy, positron surface state wave function, and annihilation probabilities of the surface trapped positrons with relevant core electrons demonstrate their sensitivity to oxygen coverage, atomic structure of the topmost layers of surfaces, and charge transfer effects. Theoretical results are compared with experimental data obtained from studies of oxidation of the Cu(100) surface using positron annihilation induced Auger electron spectroscopy (PAES). The results presented provide an explanation for the changes observed in the probability of annihilation of surface trapped positrons with Cu 3p core-level electrons as a function of annealing temperature.

Importance of considering helium excited states in He+ scattering by an aluminum surface

NASA Astrophysics Data System (ADS)

Iglesias-García, A.; García, Evelina A.; Goldberg, E. C.

2014-11-01

The He+/Al system is a very interesting projectile-surface combination which was thought initially as an example of a pure Auger neutralization mechanism. Then, because of the measured reionization explained by the antibonding interaction of the projectile state with the core target states, the resonant charge exchange with the band states was considered as another important contribution to the neutralization. Nevertheless, by only considering the neutralization to the ground state of helium, the measured ion survival probability is still overestimated. On the other hand, measurements of electron emission from an Al surface bombarded by He positive ions suggested the possibility of occupied excited states of helium due to the ion-surface collision. In this work, we also include the excited states of He within the time-dependent scattering process in which both neutralization mechanisms, resonant and Auger, are simultaneously contemplated. Our starting point is a multiorbital Anderson Hamiltonian projected over the selected space of ground and excited atomic configurations. An extra term related to the Auger mechanism is added to this Hamiltonian. A difference with previous works is that this approach includes the electron spin and, therefore, the spin fluctuation statistics in the charge-exchange process is correctly taken into account. We find a notable improvement in the agreement with the experiments and also that the interference between both mechanisms is not dramatic.

Patterns of surface burrow plugging in a colony of black-tailed prairie dogs occupied by black-footed ferrets

USGS Publications Warehouse

Eads, David E.; Biggins, Dean E.

2012-01-01

Black-tailed prairie dogs (Cynomys ludovicianus) can surface-plug openings to a burrow occupied by a black-footed ferret (Mustela nigripes). At a coarse scale, surface plugs are more common in colonies of prairie dogs occupied by ferrets than in colonies without ferrets. However, little is known about spatial and temporal patterns of surface plugging in a colony occupied by ferrets. In a 452-ha colony of black-tailed prairie dogs in South Dakota, we sampled burrow openings for surface plugs and related those data to locations of ferrets observed during spotlight surveys. Of 67,574 burrow openings in the colony between June and September 2007, 3.7% were plugged. In a colony-wide grid of 80 m × 80 m cells, the occurrence of surface plugging (≥1 opening plugged) was greater in cells used by ferrets (93.3% of cells) than in cells not observably used by ferrets (70.6%). Rates of surface plugging (percentages of openings plugged) were significantly higher in cells used by ferrets (median = 3.7%) than in cells without known ferret use (median = 3.2%). Also, numbers of ferret locations in cells correlated positively with numbers of mapped surface plugs in the cells. To investigate surface plugging at finer temporal and spatial scales, we compared rates of surface plugging in 20-m-radius circle-plots centered on ferret locations and in random plots 1–4 days after observing a ferret (Jun–Oct 2007 and 2008). Rates of surface plugging were greater in ferret-plots (median = 12.0%) than in random plots (median = 0%). For prairie dogs and their associates, the implications of surface plugging could be numerous. For instance, ferrets must dig to exit or enter plugged burrows (suggesting energetic costs), and surface plugs might influence microclimates in burrows and consequently influence species that cannot excavate soil (e.g., fleas that transmit the plague bacterium Yersinia pestis).

Metastable Behavior for Bootstrap Percolation on Regular Trees

NASA Astrophysics Data System (ADS)

Biskup, Marek; Schonmann, Roberto H.

2009-08-01

We examine bootstrap percolation on a regular ( b+1)-ary tree with initial law given by Bernoulli( p). The sites are updated according to the usual rule: a vacant site becomes occupied if it has at least θ occupied neighbors, occupied sites remain occupied forever. It is known that, when b> θ≥2, the limiting density q= q( p) of occupied sites exhibits a jump at some p T= p T( b, θ)∈(0,1) from q T:= q( p T)<1 to q( p)=1 when p> p T. We investigate the metastable behavior associated with this transition. Explicitly, we pick p= p T+ h with h>0 and show that, as h ↓0, the system lingers around the "critical" state for time order h -1/2 and then passes to fully occupied state in time O(1). The law of the entire configuration observed when the occupation density is q∈( q T,1) converges, as h ↓0, to a well-defined measure.

Slat Heater Boxes for Thermal Vacuum Testing

NASA Technical Reports Server (NTRS)

Ungar, Eugene

2003-01-01

Slat heater boxes have been invented for controlling the sink temperatures of objects under test in a thermal vacuum chamber, the walls of which are cooled to the temperature of liquid nitrogen. A slat heater box (see Figure 1) includes a framework of struts that support electrically heated slats that are coated with a high-emissivity optically gray paint. The slats can be grouped together into heater zones for the purpose of maintaining an even temperature within each side. The sink temperature of an object under test is defined as the steady-state temperature of the object in the vacuum/ radiative environment during the absence of any internal heat source or sink. The slat heater box makes it possible to closely control the radiation environment to obtain a desired sink temperature. The slat heater box is placed inside the cold thermal vacuum chamber, and the object under test is placed inside (but not in contact with) the slat heater box. The slat heaters occupy about a third of the field of view from any point on the surface of the object under test, the remainder of the field of view being occupied by the cold chamber wall. Thus, the radiation environment is established by the combined effects of the slat heater box and the cold chamber wall. Given (1) the temperature of the chamber wall, (2) the fractions of the field of view occupied by the chamber wall and the slat heater box, and (3) the emissivities of the slats, chamber wall, and the surface of object under test, the slat temperature required to maintain a desired sink temperature can be calculated by solving the equations of gray-body radiation for the steady-state adiabatic case (equal absorption and emission by the object under test). Slat heater boxes offer an important advantage over the infrared lamps that have been previously used to obtain desired sink temperatures: In comparison with an infrared lamp, a slat heater box provides a greater degree of sink temperature uniformity for a test-object surface that includes multiple areas with differing optical properties.

Angle-resolved photoemission spectroscopy studies of metallic surface and interface states of oxide insulators

NASA Astrophysics Data System (ADS)

Plumb, Nicholas C.; Radović, Milan

2017-11-01

Over the last decade, conducting states embedded in insulating transition metal oxides (TMOs) have served as gateways to discovering and probing surprising phenomena that can emerge in complex oxides, while also opening opportunities for engineering advanced devices. These states are commonly realized at thin film interfaces, such as the well-known case of LaAlO3 (LAO) grown on SrTiO3 (STO). In recent years, the use of angle-resolved photoemission spectroscopy (ARPES) to investigate the k-space electronic structure of such materials led to the discovery that metallic states can also be formed on the bare surfaces of certain TMOs. In this topical review, we report on recent studies of low-dimensional metallic states confined at insulating oxide surfaces and interfaces as seen from the perspective of ARPES, which provides a direct view of the occupied band structure. While offering a fairly broad survey of progress in the field, we draw particular attention to STO, whose surface is so far the best-studied, and whose electronic structure is probably of the most immediate interest, given the ubiquitous use of STO substrates as the basis for conducting oxide interfaces. The ARPES studies provide crucial insights into the electronic band structure, orbital character, dimensionality/confinement, spin structure, and collective excitations in STO surfaces and related oxide surface/interface systems. The obtained knowledge increases our understanding of these complex materials and gives new perspectives on how to manipulate their properties.

Pumping-induced stress and strain in aquifer systems in Wuxi, China

NASA Astrophysics Data System (ADS)

Zhang, Yun; Yu, Jun; Gong, Xulong; Wu, Jichun; Wang, Zhecheng

2018-05-01

Excessive groundwater withdrawal from an aquifer system leads to three-dimensional displacement, causing changes in the states of stress and strain. Often, land subsidence and sometimes earth fissures ensue. Field investigation indicates that land subsidence and earth fissures in Wuxi, a city in eastern China, are mainly due to excessive groundwater withdrawal, and that they are temporally and spatially related to groundwater pumping. Groundwater withdrawal may cause tensile strain to develop in aquifer systems, but tensile strain does not definitely mean tensile stress. Where earth fissures are concerned, the stress state should be adopted in numerical simulations instead of the strain state and displacement. The numerical simulation undertaken for the Wuxi area shows that the zone of tensile strain occupies a large area on the ground surface; nevertheless, the zone of tensile stress is very limited. The zone of tensile stress often occurs near the ground surface, beneath which the depth to the bedrock surface is relatively small and has considerable variability. Earth fissures often initiate near the ground surface where tensile stress occurs. Tensile stress and earth fissures rarely develop at the centers of land subsidence bowls, where compressive stress is dominant.

Three mechanisms model of shale gas in real state transport through a single nanopore

NASA Astrophysics Data System (ADS)

Li, Dongdong; Zhang, Yanyu; Sun, Xiaofei; Li, Peng; Zhao, Fengkai

2018-02-01

At present, the apparent permeability models of shale gas consider only the viscous flow and Knudsen diffusion of free gas, but do not take into account the influence of surface diffusion. Moreover, it is assumed that shale gas is in ideal state. In this paper, shale gas is assumed in real state, a new apparent permeability model for shale gas transport through a single nanopore is developed that captures many important migration mechanisms, such as viscous flow and Knudsen diffusion of free gas, surface diffusion of adsorbed gas. According to experimental data, the accuracy of apparent permeability model was verified. What’s more, the effects of pressure and pore radius on apparent permeability, and the effects on the permeability fraction of viscous flow, Knudsen diffusion and surface diffusion were analysed, separately. Finally, the results indicate that the error of the developed model in this paper was 3.02%, which is less than the existing models. Pressure and pore radius seriously affect the apparent permeability of shale gas. When the pore radius is small or pressure is low, the surface diffusion cannot be ignored. When the pressure and the pore radius is big, the viscous flow occupies the main position.

Liberator or Occupier: Indigenous Allies Make the Difference

DTIC Science & Technology

2004-05-26

role of indigenous resistance forces in this vision. This clear vision must be articulated to the international community , local populace and...Liberator or Occupier: Indigenous Allies make the difference. A Monograph By Major Duke C. Shienle United States Army School of...Liberator or Occupier: Indigenous Allies make the difference. Approved by: ______________________________________________ Monograph Director LTC (P

ADSORPTION AND DISSOCIATION OF O2 ON Ti3Al (0001) STUDIED BY FIRST-PRINCIPLES

NASA Astrophysics Data System (ADS)

Wei, Li-Jing; Guo, Jian-Xin; Dai, Xiu-Hong; Wang, Ying-Long; Liu, Bao-Ting

2015-05-01

The adsorption and dissociation of oxygen molecule on Ti3Al (0001) surface have been investigated by density functional theory (DFT) with the generalized gradient approximation (GGA). All possible adsorption sites including nine vertical and fifteen parallel sites of O2 are considered on Ti3Al (0001) surface. It is found that all oxygen molecules dissociate except for three vertical adsorption sites after structure optimization. This indicates that oxygen molecules prefer to dissociate on the junction site between Ti and Al atoms. Oxygen atoms coming from dissociation of oxygen molecule tend to occupy the most stable adsorption sites of the Ti3Al (0001) surface. The distance of O-O is related to the surface dissociation distance of Ti3Al (0001) surface. The valence electron localization function (ELF) and projected density of states (DOS) show that the bonds of O-O are breakaway at parallel adsorption end structures.

75 FR 13127 - Lead-Based Paint Renovation, Repair and Painting Activities in Target Housing and Child Occupied...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-03-18

... ENVIRONMENTAL PROTECTION AGENCY [EPA-R07-OPPT-2010-0155; FRL-9128-4] Lead-Based Paint Renovation, Repair and Painting Activities in Target Housing and Child Occupied Facilities; State of Iowa. Notice of... target housing and child-occupied facilities: 1. Establish the discipline of lead-safe renovator. 2...

75 FR 51808 - Lead-Based Paint Renovation, Repair and Painting Activities in Target Housing and Child Occupied...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-08-23

... Renovation, Repair and Painting Activities in Target Housing and Child Occupied Facilities; State of Rhode.... These rules already cover all lead-based paint activities that are conducted in target housing and child... in target housing and child-occupied facilities. These rules: 1. Establish the discipline of lead...

Reduction and shaping of graphene-oxide by laser-printing for controlled bone tissue regeneration and bacterial killing

NASA Astrophysics Data System (ADS)

Palmieri, Valentina; Barba, Marta; Di Pietro, Lorena; Gentilini, Silvia; Chiara Braidotti, Maria; Ciancico, Carlotta; Bugli, Francesca; Ciasca, Gabriele; Larciprete, Rosanna; Lattanzi, Wanda; Sanguinetti, Maurizio; De Spirito, Marco; Conti, Claudio; Papi, Massimiliano

2018-01-01

Graphene and graphene oxide (GO) are capable of inducing stem cells differentiation into bone tissue with variable efficacy depending on reductive state of the material. Thus, modulation of osteogenic process and of bone mineral density distribution is theoretically possible by controlling the GO oxidative state. In this study, we laser-printed GO surfaces in order to obtain both a local photo-thermal GO reduction and the formation of nano-wrinkles along precise geometric pattern. Initially, after cells adhered on the surface, stem cells migrated and accumulated on the reduced and wrinkled surface. When the local density of the stem cells on the reduced stripes was high, cells started to proliferate and occupy the oxidized/flat area. The designed surfaces morphology guided stem cell orientation and the reduction accelerated differentiation. Furthermore the reduced sharp nano-wrinkles were able to enhance the GO antibacterial activity against methicillin-resistant Staphylococcus aureus (MRSA), a common cause of prosthetic joints infections. This strategy can offer a revolution in present and future trends of scaffolds design for regenerative medicine.

Spin-resolved band structure of a densely packed Pb monolayer on Si(111)

NASA Astrophysics Data System (ADS)

Brand, C.; Muff, S.; Fanciulli, M.; Pfnür, H.; Tringides, M. C.; Dil, J. H.; Tegenkamp, C.

2017-07-01

Monolayer structures of Pb on Si(111) attracted recently considerable interest as superconductivity was found in these truly two-dimensional (2D) structures. In this study, we analyzed the electronic surface band structure of the so-called striped incommensurate Pb phase with 4/3 ML coverage by means of spin-resolved photoemission spectroscopy. Our results fully agree with density functional theory calculations done by Ren et al. [Phys. Rev. B 94, 075436 (2016), 10.1103/PhysRevB.94.075436]. We observe a local Zeeman-type splitting of a fully occupied and spin-polarized surface band at the K¯√{3} points. The growth of this densely packed Pb structure results in the formation of imbalanced rotational domains, which triggered the detection of C3 v symmetry forbidden spin components for surface states around the Fermi energy. Moreover, the Fermi surface of the metallic surface state of this phase is Rashba spin split and revealed a pronounced warping. However, the 2D nesting vectors are incommensurate with the atomic structure, thus keeping this system rather immune against charge density wave formation and possibly enabling a superconducting behavior.

Control of magnetism in dilute magnetic semiconductor (Ga,Mn)As films by surface decoration of molecules

NASA Astrophysics Data System (ADS)

Wang, Hailong; Wang, Xiaolei; Xiong, Peng; Zhao, Jianhua

2016-03-01

The responses of magnetic moments to external stimuli such as magnetic-field, heat, light and electric-field have been utilized to manipulate the magnetism in magnetic semiconductors, with many of the novel ideas applied even to ferromagnetic metals. Here, we review a new experimental development on the control of magnetism in (Ga,Mn)As thin films by surface decoration of organic molecules: Molecules deposited on the surface of (Ga,Mn)As thin films are shown to be capable of significantly modulating their saturation magnetization and Curie temperature. These phenomena are shown to originate from the carrier-mediated ferromagnetism in (Ga,Mn)As and the surface molecules acting as acceptors or donors depending on their highest occupied molecular orbitals, resembling the charge transfer mechanism in a pn junction in which the equilibrium state is reached on the alignment of Fermi levels.

36 CFR 251.17 - Grantor's right to occupy and use lands conveyed to the United States.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 36 Parks, Forests, and Public Property 2 2011-07-01 2011-07-01 false Grantor's right to occupy and use lands conveyed to the United States. 251.17 Section 251.17 Parks, Forests, and Public Property FOREST SERVICE, DEPARTMENT OF AGRICULTURE LAND USES Miscellaneous Land Uses Rights of Grantors § 251.17...

Nonadiabatic quantum dynamics and laser control of Br2 in solid argon.

PubMed

Accardi, A; Borowski, A; Kühn, O

2009-07-02

A five-dimensional reaction surface-vibronic coupling model is introduced to describe the B- to C-state predissociation dynamics of Br(2) occupying a double substitutional lattice site in a face-centered cubic argon crystal at low temperatures. The quantum dynamics driven by a Franck-Condon vertical excitation is investigated, revealing the role of matrix cage compression for efficient nonadiabatic transitions. Vibrational preexcitation of the Br(2) bond in the electronic ground state can be used to access a different regime of predissociation which does not require substantial matrix compression because the Franck-Condon window shifts into the energetic range of the B-C level crossing. Using optimal control theory, it is shown how vibrational preexcitation can be achieved via a pump-dump-type mechanism involving the repulsive C state.

Electronic structure of uracil-like nucleobases adsorbed on Si(001): uracil, thymine and 5-fluorouracil

NASA Astrophysics Data System (ADS)

Molteni, Elena; Onida, Giovanni; Cappellini, Giancarlo

2016-04-01

We study the electronic properties of the Si(001):Uracil, Si(001):Thymine, and Si(001):5-Fluorouracil systems, focusing on the Si dimer-bridging configuration with adsorption governed by carbonyl groups. While the overall structural and electronic properties are similar, with small differences due to chemical substitutions, much larger effects on the surface band dispersion and bandgap show up as a function of the molecular orientation with respect to the surface. An off-normal orientation of the molecular planes is favored, showing larger bandgap and lower total energy than the upright position. We also analyze the localization of gap-edge occupied and unoccupied surface states. Supplementary material in the form of one pdf file available from the Journal web page at http://dx.doi.org/10.1140/epjb/e2016-70011-1

Occupied and unoccupied electronic structures of an L-cysteine film studied by core-absorption and resonant photoelectron spectroscopies

NASA Astrophysics Data System (ADS)

Kamada, M.; Hideshima, T.; Azuma, J.; Yamamoto, I.; Imamura, M.; Takahashi, K.

2016-04-01

Unoccupied and occupied electronic structures of an L-cysteine film have been studied by absorption and resonant photoelectron spectroscopies. Core absorptions at S-L, C-K, N-K, and O-K levels indicate that the lower unoccupied states are predominantly composed of oxygen-2p, carbon-2p, and sulfur-4s+3d orbitals, while higher unoccupied states may be attributed dominantly to nitrogen-np (n ≥ 3), oxygen-np (n ≥ 3), and sulfur-ns+md (n ≥ 4, m ≥ 3) orbitals. Resonant photoelectron spectra at S-L23 and O-K levels indicate that the highest occupied state is originated from sulfur-3sp orbitals, while oxygen-2sp orbitals contribute to the deeper valence states. The delocalization lifetimes of the oxygen-1s and sulfur-2p excited states are estimated from a core-hole clock method to be about 9 ± 1 and 125 ± 25 fs, respectively.

Occupied and unoccupied electronic structures of an L-cysteine film studied by core-absorption and resonant photoelectron spectroscopies

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

Kamada, M., E-mail: kamada@cc.saga-u.ac.jp; Hideshima, T.; Azuma, J.

2016-04-15

Unoccupied and occupied electronic structures of an L-cysteine film have been studied by absorption and resonant photoelectron spectroscopies. Core absorptions at S-L, C-K, N-K, and O-K levels indicate that the lower unoccupied states are predominantly composed of oxygen-2p, carbon-2p, and sulfur-4s+3d orbitals, while higher unoccupied states may be attributed dominantly to nitrogen-np (n ≥ 3), oxygen-np (n ≥ 3), and sulfur-ns+md (n ≥ 4,  m ≥ 3) orbitals. Resonant photoelectron spectra at S-L{sub 23} and O-K levels indicate that the highest occupied state is originated from sulfur-3sp orbitals, while oxygen-2sp orbitals contribute to the deeper valence states. The delocalization lifetimesmore » of the oxygen-1s and sulfur-2p excited states are estimated from a core-hole clock method to be about 9 ± 1 and 125 ± 25 fs, respectively.« less

Surface area estimates of streams and rivers occupied by nonnative fish and amphibians in the Western USA

EPA Science Inventory

Statistically robust, broad-scale measures of the portion of an aquatic resource (e.g., a stream and river network) occupied by nonnative fish and amphibian species should be useful to resource managers but with a few exceptions have not been available. We used data from the west...

Using Clustering to Establish Climate Regimes from PCM Output

NASA Technical Reports Server (NTRS)

Oglesby, Robert; Arnold, James E. (Technical Monitor); Hoffman, Forrest; Hargrove, W. W.; Erickson, D.

2002-01-01

A multivariate statistical clustering technique--based on the k-means algorithm of Hartigan has been used to extract patterns of climatological significance from 200 years of general circulation model (GCM) output. Originally developed and implemented on a Beowulf-style parallel computer constructed by Hoffman and Hargrove from surplus commodity desktop PCs, the high performance parallel clustering algorithm was previously applied to the derivation of ecoregions from map stacks of 9 and 25 geophysical conditions or variables for the conterminous U.S. at a resolution of 1 sq km. Now applied both across space and through time, the clustering technique yields temporally-varying climate regimes predicted by transient runs of the Parallel Climate Model (PCM). Using a business-as-usual (BAU) scenario and clustering four fields of significance to the global water cycle (surface temperature, precipitation, soil moisture, and snow depth) from 1871 through 2098, the authors' analysis shows an increase in spatial area occupied by the cluster or climate regime which typifies desert regions (i.e., an increase in desertification) and a decrease in the spatial area occupied by the climate regime typifying winter-time high latitude perma-frost regions. The patterns of cluster changes have been analyzed to understand the predicted variability in the water cycle on global and continental scales. In addition, representative climate regimes were determined by taking three 10-year averages of the fields 100 years apart for northern hemisphere winter (December, January, and February) and summer (June, July, and August). The result is global maps of typical seasonal climate regimes for 100 years in the past, for the present, and for 100 years into the future. Using three-dimensional data or phase space representations of these climate regimes (i.e., the cluster centroids), the authors demonstrate the portion of this phase space occupied by the land surface at all points in space and time. Any single spot on the globe will exist in one of these climate regimes at any single point in time. By incrementing time, that same spot will trace out a trajectory or orbit between and among these climate regimes (or atmospheric states) in phase (or state) space. When a geographic region enters a state it never previously visited, a climatic change is said to have occurred. Tracing out the entire trajectory of a single spot on the globe yields a 'manifold' in state space representing the shape of its predicted climate occupancy. This sort of analysis enables a researcher to more easily grasp the multivariate behavior of the climate system.

Ethene adsorption and dehydrogenation on clean and oxygen precovered Ni(111) studied by high resolution x-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Lorenz, M. P. A.; Fuhrmann, T.; Streber, R.; Bayer, A.; Bebensee, F.; Gotterbarm, K.; Kinne, M.; Tränkenschuh, B.; Zhu, J. F.; Papp, C.; Denecke, R.; Steinrück, H.-P.

2010-07-01

The adsorption and thermal evolution of ethene (ethylene) on clean and oxygen precovered Ni(111) was investigated with high resolution x-ray photoelectron spectroscopy using synchrotron radiation at BESSY II. The high resolution spectra allow to unequivocally identify the local environment of individual carbon atoms. Upon adsorption at 110 K, ethene adsorbs in a geometry, where the two carbon atoms within the intact ethene molecule occupy nonequivalent sites, most likely hollow and on top; this new result unambiguously solves an old puzzle concerning the adsorption geometry of ethene on Ni(111). On the oxygen precovered surface a different adsorption geometry is found with both carbon atoms occupying equivalent hollow sites. Upon heating ethene on the clean surface, we can confirm the dehydrogenation to ethine (acetylene), which adsorbs in a geometry, where both carbon atoms occupy equivalent sites. On the oxygen precovered surface dehydrogenation of ethene is completely suppressed. For the identification of the adsorbed species and the quantitative analysis the vibrational fine structure of the x-ray photoelectron spectra was analyzed in detail.

Limits to Ice on Asteroids (24) Themis and (65) Cybele

NASA Astrophysics Data System (ADS)

Jewitt, David; Guilbert-Lepoutre, Aurelie

2012-01-01

We present optical spectra of (24) Themis and (65) Cybele, two large main-belt asteroids on which exposed water ice has recently been reported. No emission lines, expected from resonance fluorescence in gas sublimated from the ice, were detected. Derived limits to the production rates of water are lsim400 kg s-1 (5σ) for each object, assuming a cometary H2O/CN ratio. We rule out models in which a large fraction of the surface is occupied by high-albedo ("fresh") water ice because the measured albedos of Themis and Cybele are low (~0.05-0.07). We also rule out models in which a large fraction of the surface is occupied by low-albedo ("dirty") water ice because dirty ice would be warm and would sublimate strongly enough for gaseous products to have been detected. If ice exists on these bodies it must be relatively clean (albedo gsim0.3) and confined to a fraction of the Earth-facing surface lsim10%. By analogy with impacted asteroid (596) Scheila, we propose an impact excavation scenario, in which 10 m scale projectiles have exposed buried ice. If the ice is even more reflective (albedo gsim0.6), then the timescale for sublimation of an optically thick layer can rival the ~103 yr interval between impacts with bodies this size. In this sense, exposure by impact may be a quasi steady-state feature of ice-containing asteroids at 3 AU.

Criterion 1: Conservation of biological diversity - Indicator 8: The number of forest dependent species that occupy a small portion of their former range

Treesearch

Curtis H. Flather; Carolyn Hull Sieg; Michael S. Knowles; Jason McNees

2003-01-01

This indicator measures the portion of a species' historical distribution that is currently occupied as a surrogate measure of genetic diversity. Based on data for 1,642 terrestrial animals associated with forests, most species (88 percent) were found to fully occupy their historic range - at least as measured by coarse state-level occurrence patterns. Of the 193...

Origins of Fermi-level pinning on GaN and InN polar and nonpolar surfaces

NASA Astrophysics Data System (ADS)

Segev, D.; Van de Walle, C. G.

2006-10-01

Using band structure and total energy methods, we study the atomic and electronic structures of the polar (+c and - c plane) and nonpolar (a and m plane) surfaces of GaN and InN. We identify two distinct microscopic origins for Fermi-level pinning on GaN and InN, depending on surface stoichiometry and surface polarity. At moderate Ga/N ratios unoccupied gallium dangling bonds pin the Fermi level on n-type GaN at 0.5 0.7 eV below the conduction-band minimum. Under highly Ga-rich conditions metallic Ga adlayers lead to Fermi-level pinning at 1.8 eV above the valence-band maximum. We also explain the source of the intrinsic electron accumulation that has been universally observed on polar InN surfaces. It is caused by In-In bonds leading to occupied surface states above the conduction-band minimum. We predict that such a charge accumulation will be absent on the nonpolar surfaces of InN, when prepared under specific conditions.

Mechanism of intramolecular electron transfer in the photoexcited Zn-substituted cytochrome c: theoretical and experimental perspective.

PubMed

Tokita, Yuichi; Shimura, Jusuke; Nakajima, Hiroshi; Goto, Yoshio; Watanabe, Yoshihito

2008-04-16

Photoinduced electron transfer (ET) in zinc-substituted cytochrome c (Zn-cyt c) has been utilized in many studies on the long-range ET in protein. Attempting to understand its ET mechanism in terms of electronic structure of the molecule, we have calculated an all-electron wave function for the ground-state of Zn-cyt c on the basis of density functional theory (DFT). The four molecular orbitals (MOs) responsible for excitation by UV-vis light (Gouterman's 4-orbitals) are assigned on the basis of the excited states of chromophore model for Zn-porphine complex calculated with the time-dependent DFT method. ET rates between each Gouterman's 4-orbitals and other MOs were estimated using Fermi's golden rule. It appeared that the two occupied MOs of the 4-orbitals show exclusively higher ET rate from/to particular MOs that localize on outermost amino acid residues (Lys 7 or Asn 54), respectively, whereas ET rates involving the two unoccupied MOs of the 4-orbitals are much slower. These results imply that the intramolecular ET in photoexcited Zn-cyt c is governed by the hole transfer through occupied MOs. The couplings of MOs between zinc porphyrin core and specific amino acid residues on the protein surface have been demonstrated in Zn-cyt c immobilized on an Au electrode via carboxylic acid group-terminated self-assembled monolayer. The Zn-cyt c-modified electrode showed photocurrents responsible for photoillumination. The action spectrum of the photocurrent was identical with the absorption spectrum of Zn-cyt c, indicating photoinduced electron conduction via occupied MOs. The voltage dependence of the photocurrent appeared to be linear and bidirectional like a photoconductor, which strongly supports the intramolecular ET mechanism in Zn-cyt c proposed on the basis of the theoretical calculations.

Communication: Density functional theory model for multi-reference systems based on the exact-exchange hole normalization

NASA Astrophysics Data System (ADS)

Laqua, Henryk; Kussmann, Jörg; Ochsenfeld, Christian

2018-03-01

The correct description of multi-reference electronic ground states within Kohn-Sham density functional theory (DFT) requires an ensemble-state representation, employing fractionally occupied orbitals. However, the use of fractional orbital occupation leads to non-normalized exact-exchange holes, resulting in large fractional-spin errors for conventional approximative density functionals. In this communication, we present a simple approach to directly include the exact-exchange-hole normalization into DFT. Compared to conventional functionals, our model strongly improves the description for multi-reference systems, while preserving the accuracy in the single-reference case. We analyze the performance of our proposed method at the example of spin-averaged atoms and spin-restricted bond dissociation energy surfaces.

Communication: Density functional theory model for multi-reference systems based on the exact-exchange hole normalization.

PubMed

Laqua, Henryk; Kussmann, Jörg; Ochsenfeld, Christian

2018-03-28

The correct description of multi-reference electronic ground states within Kohn-Sham density functional theory (DFT) requires an ensemble-state representation, employing fractionally occupied orbitals. However, the use of fractional orbital occupation leads to non-normalized exact-exchange holes, resulting in large fractional-spin errors for conventional approximative density functionals. In this communication, we present a simple approach to directly include the exact-exchange-hole normalization into DFT. Compared to conventional functionals, our model strongly improves the description for multi-reference systems, while preserving the accuracy in the single-reference case. We analyze the performance of our proposed method at the example of spin-averaged atoms and spin-restricted bond dissociation energy surfaces.

Photoemission and Photoabsorption Investigation of the Electronic Structure of Ytterbium Doped Strontium Fluoroapatite

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

Nelson, A J; van Buuren, T; Bostedt, C

X-ray photoemission and x-ray photoabsorption were used to study the composition and the electronic structure of ytterbium doped strontium fluoroapatite (Yb:S-FAP). High resolution photoemission measurements on the valence band electronic structure was used to evaluate the density of occupied states of this fluoroapatite. Element specific density of unoccupied electronic states in Yb:S-FAP were probed by x-ray absorption spectroscopy (XAS) at the Yb 4d (N{sub 4,5}-edge), Sr 3d (M{sub 4,5}-edge), P 2p (L{sub 2,3}-edge), F 1s and O 1s (K-edges) absorption edges. These results provide the first measurements of the electronic structure and surface chemistry of this material.

The Rosiwal Principle and the regolithic distributions of solar-wind elements

NASA Technical Reports Server (NTRS)

Criswell, D. R.

1975-01-01

In situ accumulation of solar elements is studied for the purpose of determining the extent of applicability of the Rosiwal Principle. The Rosiwal Principle states that the grain exposure area is proportional to the fraction of the unit volume occupied by the grains, and the test involves measurement of the relative concentrations of inert gases and reactive elements across sets of lunar fines samples for which mean grain size, sorting, and minimum radius of surface correlation are known. In some cases, the quantity of an element implanted into the lunar fines from the solar wind is found to be surface correlated, and the implications of this relationship are considered. According to the Rosiwal Principle, coarse soils should retain less inert gas than fine soil. The Principle can also be applied to species volatized or sputtered from the lunar surface and redeposited locally.

How social media matter: Repression and the diffusion of the Occupy Wall Street movement.

PubMed

Suh, Chan S; Vasi, Ion Bogdan; Chang, Paul Y

2017-07-01

This study explores the role played by social media in reshaping the repression-mobilization relationship. Drawing on the case of the Occupy Wall Street movement, we examine the impact of Facebook and Twitter on the spatial diffusion of protests during a period of heightened state repression. Results from event history analyses suggest that the effects of repression on protest diffusion are contingent on the presence of social media accounts supporting the movement. We find that state repression at earlier protest sites encouraged activists to create Facebook and Twitter accounts in their own cities, which then served as important vehicles for the initiation of new Occupy protests. Moreover, results suggest that repression incidents can directly facilitate future protests in cities that already have Occupy Facebook accounts. This study highlights the potential of social media to both mediate and moderate the influence of repression on the diffusion of contemporary movements. Copyright © 2017 Elsevier Inc. All rights reserved.

KF post-deposition treatment of industrial Cu(In, Ga)(S, Se) 2 thin-film surfaces: Modifying the chemical and electronic structure

DOE PAGES

Mezher, Michelle; Mansfield, Lorelle M.; Horsley, Kimberly; ...

2017-08-14

The chemical and electronic structures of industrial chalcopyrite photovoltaic absorbers after KF post-deposition treatment (KF-PDT) are investigated using electron spectroscopies to probe the occupied and unoccupied electronic states. In contrast to a variety of recent publications on the impact of KF-PDT, this study focuses on industrial Cu(In,Ga)(S,Se) 2 absorbers that also contain sulfur at the surface. We find that the KF-PDT removes surface adsorbates and oxides and also observe a change in the S/Se ratio. Furthermore, the KF-PDT leads to a Cu reduction at the surface but to a much lower degree than the strongly Cu-depleted or even Cu-free surfacesmore » reported for (non-industrial) sulfur-free Cu(In,Ga)Se 2 absorbers. Furthermore, the valence band maximum at the surface is found at a lower energy compared to the untreated absorber, and the conduction band minimum is found at a higher energy, overall revealing a widening of the bandgap in the surface region.« less

KF post-deposition treatment of industrial Cu(In, Ga)(S, Se) 2 thin-film surfaces: Modifying the chemical and electronic structure

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

Mezher, Michelle; Mansfield, Lorelle M.; Horsley, Kimberly

The chemical and electronic structures of industrial chalcopyrite photovoltaic absorbers after KF post-deposition treatment (KF-PDT) are investigated using electron spectroscopies to probe the occupied and unoccupied electronic states. In contrast to a variety of recent publications on the impact of KF-PDT, this study focuses on industrial Cu(In,Ga)(S,Se) 2 absorbers that also contain sulfur at the surface. We find that the KF-PDT removes surface adsorbates and oxides and also observe a change in the S/Se ratio. Furthermore, the KF-PDT leads to a Cu reduction at the surface but to a much lower degree than the strongly Cu-depleted or even Cu-free surfacesmore » reported for (non-industrial) sulfur-free Cu(In,Ga)Se 2 absorbers. Furthermore, the valence band maximum at the surface is found at a lower energy compared to the untreated absorber, and the conduction band minimum is found at a higher energy, overall revealing a widening of the bandgap in the surface region.« less

RPBS: Rotational Projected Binary Structure for point cloud representation

NASA Astrophysics Data System (ADS)

Fang, Bin; Zhou, Zhiwei; Ma, Tao; Hu, Fangyu; Quan, Siwen; Ma, Jie

2018-03-01

In this paper, we proposed a novel three-dimension local surface descriptor named RPBS for point cloud representation. First, points cropped form the query point within a predefined radius is regard as a local surface patch. Then pose normalization is done to the local surface to equip our descriptor with the invariance to rotation transformation. To obtain more information about the cropped surface, multi-view representation is formed by successively rotating it along the coordinate axis. Further, orthogonal projections to the three coordinate plane are adopted to construct two-dimension distribution matrixes, and binarization is applied to each matrix by following the rule that whether the grid is occupied, if yes, set the grid one, otherwise zero. We calculate the binary maps from all the viewpoints and concatenate them together as the final descriptor. Comparative experiments for evaluating our proposed descriptor is conducted on the standard dataset named Bologna with several state-of-the-art 3D descriptors, and results show that our descriptor achieves the best performance on feature matching experiments.

Use of an Optical Multichannel Analyzer for Reflectivity Measurements

DTIC Science & Technology

1992-03-01

verified and expanded upon through the works of Bohr, Schrodinger, Dirac and others. Postulates expounded by Wolfgang Pauli in 1930, and later...According to the Pauli Exclusion principle, only one electron may occupy each allowable state, and two electrons of opposite spin direction may occupy each

40 CFR 745.326 - Renovation: State and Tribal program requirements.

Code of Federal Regulations, 2011 CFR

2011-07-01

...) TOXIC SUBSTANCES CONTROL ACT LEAD-BASED PAINT POISONING PREVENTION IN CERTAIN RESIDENTIAL STRUCTURES... distribution of lead hazard information to owners and occupants of target housing and child-occupied facilities... distributing the lead hazard information to owners and occupants of housing and child-occupied facilities prior...

Stability and band offsets between c-plane ZnO semiconductor and LaAlO3 gate dielectric

NASA Astrophysics Data System (ADS)

Wang, Jianli; Chen, Xinfeng; Wu, Shuyin; Tang, Gang; Zhang, Junting; Stampfl, C.

2018-03-01

Wurtzite-perovskite heterostructures composed of a high dielectric constant oxide and a wide bandgap semiconductor envision promising applications in field-effect transistors. In the present paper, the structural and electronic properties of LaAlO3/ZnO heterojunctions are investigated by first-principles calculations. We study the initial adsorption of La, Al, and oxygen atoms on ZnO (0001) and (000 1 ¯ ) surfaces and find that La atoms may occupy interstitial sites during the growth of stoichiometric ZnO (0001). The band gap of the stoichiometric ZnO (0001) surface is smaller than that of the stoichiometric ZnO (000 1 ¯ ) surface. The surface formation energy indicates that La or Al atoms may substitute Zn atoms at the nonstoichiometric ZnO (0001) surface. The atomic charges, electronic density of states, and band offsets are analyzed for the optimized LaAlO3/ZnO heterojunctions. There is a band gap for the LaAlO3/ZnO (000 1 ¯ ) heterostructures, and the largest variation in charge occurs at the surface or interface. Our results suggest that the Al-terminated LaAlO3/ZnO (000 1 ¯ ) interfaces are suitable for the design of metal oxide semiconductor devices because the valence and conduction band offsets are both larger than 1 eV and the interface does not produce any in-gap states.

The gas-surface interaction of a human-occupied spacecraft with a near-Earth object

NASA Astrophysics Data System (ADS)

Farrell, W. M.; Hurley, D. M.; Poston, M. J.; Zimmerman, M. I.; Orlando, T. M.; Hibbitts, C. A.; Killen, R. M.

2016-11-01

NASA's asteroid redirect mission (ARM) will feature an encounter of the human-occupied Orion spacecraft with a portion of a near-Earth asteroid (NEA) previously placed in orbit about the Moon by a capture spacecraft. Applying a shuttle analog, we suggest that the Orion spacecraft should have a dominant local water exosphere, and that molecules from this exosphere can adsorb onto the NEA. The amount of adsorbed water is a function of the defect content of the NEA surface, with retention of shuttle-like water levels on the asteroid at 1015 H2O's/m2 for space weathered regolith at T ∼ 300 K.

Interaction of Co with an Fe(111) surface

NASA Astrophysics Data System (ADS)

Seip, U.; Tsai, M.-C.; Christmann, K.; Küppers, J.; Ertl, G.

1984-04-01

Adsorption of CO on Fe(111) below 300 K causes the appearance of three different non-dissociated species as distinguished by their CO stretch frequencies of about 1530 cm -1 (a), 1800 cm -1 (b), and 2000 cm -1 (c). At T ≳ 220 K the b-state is first filled up and saturates after 1.5 L exposure; upon increasing the temperature it partly desorbs around 400 K and partly dissociates. Recombination of the C and O atoms followed by CO desorption takes place at about 800 K. Above 1.5 L exposure the a- and c-states are occupied simultaneously; in the thermal desorption spectrum in turn they show up as a relatively broad shoulder at ˜ 340 K, which indicates similar adsorption energies for these two species. Saturation of the surface is reached after about 6 L exposure, which is paralleled by a continuous work function increase of up to Δφ = 1.6 eV. A high background intensity in the LEED pattern suggests substantial disorder in the adlayer. Evaluation of the TDS data yields about 2:1 population of the b- and (c + a)-states. The unusual low CO frequency of the a-state finds its analogues in reports on CO adsorption at stepped surfaces, as well as with complex compounds where the π-orbitals of the ligand directly interact with a neighboring metal atom. This species is therefore identified with adsorption in the "deep hollow" sites on the rather open Fe(111) surface. The b-state is tentatively attributed to the "shallow hollow" sites, and the c-state to adsorption on the "on top" sites.

Optimal reconstruction of the folding landscape using differential energy surface analysis

NASA Astrophysics Data System (ADS)

La Porta, Arthur; Denesyuk, Natalia A.; de Messieres, Michel

2013-03-01

In experiments and in simulations, the free energy of a state of a system can be determined from the probability that the state is occupied. However, it is often necessary to impose a biasing potential on the system so that high energy states are sampled with sufficient frequency. The unbiased energy is typically obtained from the data using the weighted histogram analysis method (WHAM). Here we present differential energy surface analysis (DESA), in which the gradient of the energy surface, dE/dx, is extracted from data taken with a series of harmonic biasing potentials. It is shown that DESA produces a maximum likelihood estimate of the folding landscape gradient. DESA is demonstrated by analyzing data from a simulated system as well as data from a single-molecule unfolding experiment in which the end-to-end distance of a DNA hairpin is measured. It is shown that the energy surface obtained from DESA is indistinguishable from the energy surface obtained when WHAM is applied to the same data. Two criteria are defined which indicate whether the DESA results are self-consistent. It is found that these criteria can detect a situation where the energy is not a single-valued function of the measured reaction coordinate. The criteria were found to be satisfied for the experimental data analyzed, confirming that end-to-end distance is a good reaction coordinate for the experimental system. The combination of DESA and the optical trap assay in which a structure is disrupted under harmonic constraint facilitates an extremely accurate measurement of the folding energy surface.

Measurement of Conformational Changes Accompanying Desensitization in an Ionotropic Glutamate Receptor

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

Armstrong,N.; Jasti, J.; Beich-Frandsen, M.

2006-01-01

The canonical conformational states occupied by most ligand-gated ion channels, and many cell-surface receptors, are the resting, activated, and desensitized states. While the resting and activated states of multiple receptors are well characterized, elaboration of the structural properties of the desensitized state, a state that is by definition inactive, has proven difficult. Here we use electrical, chemical, and crystallographic experiments on the AMPA-sensitive GluR2 receptor, defining the conformational rearrangements of the agonist binding cores that occur upon desensitization of this ligand-gated ion channel. These studies demonstrate that desensitization involves the rupture of an extensive interface between domain 1 of 2-foldmore » related glutamate-binding core subunits, compensating for the ca. 21{sup o} of domain closure induced by glutamate binding. The rupture of the domain 1 interface allows the ion channel to close and thereby provides a simple explanation to the long-standing question of how agonist binding is decoupled from ion channel gating upon receptor desensitization.« less

Constructing the AdS dual of a Fermi liquid: AdS black holes with Dirac hair

NASA Astrophysics Data System (ADS)

Čubrović, Mihailo; Zaanen, Jan; Schalm, Koenraad

2011-10-01

We provide evidence that the holographic dual to a strongly coupled charged Fermi liquid has a non-zero fermion density in the bulk. We show that the pole-strength of the stable quasiparticle characterizing the Fermi surface is encoded in the AdS probability density of a single normalizable fermion wavefunction in AdS. Recalling Migdal's theorem which relates the pole strength to the Fermi-Dirac characteristic discontinuity in the number density at ω F , we conclude that the AdS dual of a Fermi liquid is described by occupied on-shell fermionic modes in AdS. Encoding the occupied levels in the total spatially averaged probability density of the fermion field directly, we show that an AdS Reissner-Nordström black holein a theory with charged fermions has a critical temperature, at which the system undergoes a first-order transition to a black hole with a non-vanishing profile for the bulk fermion field. Thermodynamics and spectral analysis support that the solution with non-zero AdS fermion-profile is the preferred ground state at low temperatures.

Blood monocyte alteration caused by a hematozoan infection in the lizard Ameiva ameiva (Reptilia: Teiidae).

PubMed

Silva, Edilene O; Diniz, José P; Alberio, Sanny; Lainson, Ralph; de Souza, Wanderley; DaMatta, Renato A

2004-08-01

Although hematozoa have been described from many different host species, little is known about the infection and its relationship to the physiology of the host. We studied a hematozoan, regarded as a species of Lainsonia Landau, 1973 (Lankestereliidae), which infects the monocytes of the lizard Ameiva ameiva. The infected animals show a huge monocytosis and morphological changes in the monocytes. Ultrastructurally, the parasite has an apical complex, dense bodies, electron lucent structures, plasma membrane projections and folding which may be involved with nutrition. The parasite occupies a parasitophorous vacuole (PV) exhibiting high electron density at its membrane. Mitochondria and the Golgi complex of the monocytes were concentrated around the PV, and the cytoplasm was totally occupied by a vimentin type of intermediate filament radiating from (or to) the cytosolic surface of the PV. Vimentin was identified by diameter measurement, immunofluorescence and immunoelectron microscopy. These observations indicate that this infection alters the physiological state of the host and suggest that this parasite has the ability to modify monocyte vimentin assembly.

Dense white trichome production by plants as possible mimicry of arthropod silk or fungal hyphae that deter herbivory.

PubMed

Yamazaki, Kazuo; Lev-Yadun, Simcha

2015-01-07

Some spiders are well-known to mimic flowers or other plant surfaces in order to be cryptic to both their prey and their predators. We propose that dense, thread-like white trichomes of some plants from Estonia, Greece, Israel and Japan visually mimic spider webs, lepidopteran and spider-mite web nests and plant-pathogenic fungi, and that it may result in reduced herbivory, since various herbivores avoid spider- or other arthropod webs to circumvent predation or toxic attacks, or refrain from colonizing plants that have already been occupied by other herbivores and pathogens. Spiders and other web-forming arthropods are also the prey of certain vertebrate predators and wasps, and therefore such predators may be attracted to these web-like plant structures and prey on the invertebrate herbivores occupying them. We do not dismiss the possibility that these web-like structures may also have other defensive or physiological functions or that they are not classic mimics but rather exploit the herbivore׳s perceptual state concerning the avoidance of potentially risky objects. Copyright © 2014 Elsevier Ltd. All rights reserved.

Structural and electronic properties of AlN(0001) surface under partial N coverage as determined by ab initio approach

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

Strak, Pawel; Sakowski, Konrad; Kempisty, Pawel

2015-09-07

Properties of bare and nitrogen-covered Al-terminated AlN(0001) surface were determined using density functional theory (DFT) calculations. At a low nitrogen coverage, the Fermi level is pinned by Al broken bond states located below conduction band minimum. Adsorption of nitrogen is dissociative with an energy gain of 6.05 eV/molecule at a H3 site creating an overlap with states of three neighboring Al surface atoms. During this adsorption, electrons are transferred from Al broken bond to topmost N adatom states. Accompanying charge transfer depends on the Fermi level. In accordance with electron counting rule (ECR), the DFT results confirm the Fermi levelmore » is not pinned at the critical value of nitrogen coverage θ{sub N}(1) = 1/4 monolayer (ML), but it is shifted from an Al-broken bond state to Np{sub z} state. The equilibrium thermodynamic potential of nitrogen in vapor depends drastically on the Fermi level pinning being shifted by about 4 eV for an ECR state at 1/4 ML coverage. For coverage above 1/4 ML, adsorption is molecular with an energy gain of 1.5 eV at a skewed on-top position above an Al surface atom. Electronic states of the admolecule are occupied as in the free molecule, no electron transfer occurs and adsorption of a N{sub 2} molecule does not depend on the Fermi level. The equilibrium pressure of molecular nitrogen above an AlN(0001) surface depends critically on the Fermi level position, being very low and very high for low and high coverage, respectively. From this fact, one can conclude that at typical growth conditions, the Fermi level is not pinned, and the adsorption and incorporation of impurities depend on the position of Fermi level in the bulk.« less

Influences of Sr dose on the crystal structure parameters and Sr distributions of Sr-incorporated hydroxyapatite.

PubMed

Guo, D G; Hao, Y Z; Li, H Y; Fang, C Q; Sun, L J; Zhu, H; Wang, J; Huang, X F; Ni, P F; Xu, K W

2013-10-01

Stoichiometric strontium-incorporated hydroxyapatite (Sr-HA) with different Sr concentrations [Sr/(Sr+Ca)] were synthesized using a wet chemical approach and characterized by X-ray diffraction, Fourier-transformed infrared absorption, X-ray photoelectron spectroscopy, and Rietveld Structure Refinement. The crystal lattice parameter, Sr distribution, chemical state of Sr, and also the relationships between their variations and the Sr concentrations have been intensively studied. The results show that both the crystal lattice parameters and crystal plane space of Sr-HA remarkably increase with the Sr concentration increasing. Whether Sr preferably occupies the Ca(I) site or Ca(II) site after incorporated into apatite lattice depends on the Sr number incorporated into apatite. All the Sr ions completely occupy the Ca(II) sites when the Sr concentration is below 5%. With the exception of partial Sr ions occupying the Ca(II) sites, the other Sr ions start to occupy the Ca(I) sites when the Sr concentration doped in HA is beyond 10%. The ratio of Sr ions occupying the Ca(I) sites increases with the further raising Sr concentration up to 20%. The Sr ions inherit the chemical state and environment of the original Ca(I) or Ca(II) site after incorporated into apatite. Copyright © 2013 Wiley Periodicals, Inc.

Synchrotron-Radiation Photoemission Study of Electronic Structures of a Cs-Doped Rubrene Surface

NASA Astrophysics Data System (ADS)

Cheng, Chiu-Ping; Lu, Meng-Han; Chu, Yu-Ya; Pi, Tun-Wen

Using synchrotron-radiation photoemission spectroscopy, we have studied the electronic structure of a cesium-doped rubrene thin film. The addition of cesium atoms causes the movement of the valence-band spectra and the change in line shapes at different concentration that can be separated into four different stages. In the first stage, the cesium atoms continuously diffuse into the substrate, and the Fermi level moves in the energy gap as a result of an electron transferred from the cesium to the rubrene. The second stage, in which the shifts of the spectra are interrupted, is characterized by the introduction of two in-gap states. When increasing doping of cesium into the third stage, the spectra move again; whereas, the line shapes maintain at the stoichiometric ratio of one. In the fourth stage, new in-gap states appear, which are the highest occupied molecular orbital (HOMO) and HOMO+1 states of (rubrene)2- anion.

Hydrodynamics of stratified epithelium: Steady state and linearized dynamics

NASA Astrophysics Data System (ADS)

Yeh, Wei-Ting; Chen, Hsuan-Yi

2016-05-01

A theoretical model for stratified epithelium is presented. The viscoelastic properties of the tissue are assumed to be dependent on the spatial distribution of proliferative and differentiated cells. Based on this assumption, a hydrodynamic description of tissue dynamics at the long-wavelength, long-time limit is developed, and the analysis reveals important insights into the dynamics of an epithelium close to its steady state. When the proliferative cells occupy a thin region close to the basal membrane, the relaxation rate towards the steady state is enhanced by cell division and cell apoptosis. On the other hand, when the region where proliferative cells reside becomes sufficiently thick, a flow induced by cell apoptosis close to the apical surface enhances small perturbations. This destabilizing mechanism is general for continuous self-renewal multilayered tissues; it could be related to the origin of certain tissue morphology, tumor growth, and the development pattern.

75 FR 436 - Notice of Inventory Completion: Thomas Burke Memorial Washington State Museum, University of...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-01-05

... cultures. The Duwamish people primarily occupied this area, specifically the Lake people and the Thluwi... objects are 96 beads, 2 sea urchin shell fragments, and 2 copper bracelets. The above-mentioned human... within the Southern Lushootseed language group of Salish cultures. The Duwamish people primarily occupied...

Polyploidy in Acer rubrum L.

Treesearch

John W. Duffield

1943-01-01

Acer rubrum L. is a highly polymorphic species occupying a range which includes almost all of the United States east of the prairies, southeastern Canada, and a portion of Newfoundland. The range of habitats occupied is equally impressive. Cytological study of this species was first undertaken by Mottier in 1893, but the first indication of...

Quantifying immunogold labelling patterns of cellular compartments when they comprise mixtures of membranes (surface-occupying) and organelles (volume-occupying).

PubMed

Mayhew, Terry M; Lucocq, John M

2008-03-01

In quantitative immunoelectron microscopy, subcellular compartments that are preferentially labelled with colloidal gold particles can be identified by estimating labelling densities (LDs) and relative labelling indices (RLIs). Hitherto, this approach has been limited to compartments which are either surface occupying (membranes) or volume occupying (organelles) but not a mixture of both (membranes and organelles). However, some antigens are known to translocate between membrane and organelle compartments and the problem then arises of expressing gold particle LDs in a consistent manner (e.g., as number per compartment profile area). Here, we present one possible solution to tackle this problem. With this method, each membrane is treated as a volume-occupying compartment and this is achieved by creating an acceptance zone at a fixed distance on each side of membrane images. Gold signal intensity is then expressed as an LD within the membrane profile area so created and this LD can be compared to LDs found in volume-occupying compartments. Acceptance zone width is determined largely by the expected dispersion of gold labelling. In some cases, the zone can be applied to all visible membrane images but there is a potential problem when image loss occurs due to the fact that membranes are not cut orthogonal to their surface but are tilted within the section. The solution presented here is to select a subset of clear images representing orthogonally sectioned membranes (so-called local vertical windows, LVWs). The fraction of membrane images forming LVWs can be estimated in two ways: goniometrically (by determining the angle at which images become unclear) or stereologically (by counting intersections with test lines). The fraction obtained by either method can then be used to calculate a factor correcting for membrane image loss. In turn, this factor is used to estimate the total gold labelling associated with the acceptance zone of the entire (volume-occupying) membrane. However calculated, the LDs over the chosen (membrane and organelle) compartments are used to obtain observed and expected gold particle counts. The observed distribution is determined simply by counting gold particles associated with each compartment. Next, an expected distribution is created by randomly superimposing test points and counting those hitting each compartment. LDs of the chosen compartments are used to calculate RLI and chi-squared values and these serve to identify those compartments in which there is preferential labelling. The methods are illustrated by synthetic and real data.

Location of Bare Soil Surface and Soil Line on the RED-NIR Spectral Plane

NASA Astrophysics Data System (ADS)

Koroleva, P. V.; Rukhovich, D. I.; Rukhovich, A. D.; Rukhovich, D. D.; Kulyanitsa, A. L.; Trubnikov, A. V.; Kalinina, N. V.; Simakova, M. S.

2017-12-01

Soil as a separate natural body occupies certain area with its own set of spectral characteristics within the RED-NIR spectral space. This is an ellipse-shaped area, and its semi-major axis is the soil line for a satellite image. The spectral area for a bare soil surface is neighboring to the areas of black carbon, straw, vegetating plants, and missing RED-NIR values. A reliable separation of the bare soil surface within the spectral space is possible with the technology of spectral neighborhood of soil line. The accuracy of this method is 90%. The determination of the bare soil surface using vegetation indices, both relative (NDVI), and perpendicular (PVI), is incorrect; the accuracy of these methods does not exceed 65%, and for most of the survey seasons it may be lower than 50%. The flat part of the "tasseled cap" described as the soil line, is not a synonym for the area of the bare soil surface. The bare soil surface on the RED-NIR plots occupies significantly smaller areas than the area of soil line according to Kauth and Thomas.

A comparative DFT study of interactions of Au and small gold clusters Aun (n = 2-4) with CH3S and CH2 radicals

NASA Astrophysics Data System (ADS)

Blaško, Martin; Rajský, Tomáš; Urban, Miroslav

2017-03-01

We compare DFT binding energies (BEs) of Au and small gold clusters interacting with CH3S and CH2 ligands (Aun-L complexes, n = 1-4). The spin state and the binding mechanism in Aun-L varies with the participation of singly occupied non-bonding orbitals or doubly occupied lone-pair orbitals of a ligand and on the number of atoms (even or odd) of Aun. The highest BE, 354 kJ/mol, exhibits the Au3-CH2 complex with the covalent bond in which participate two singly occupied orbitals of the triplet state of CH2. With CH3S the highest BE (277 kJ/mol) is calculated for Au3-SCH3 with the single Au-S bond.

Interplay between snake and quantum edge states in a graphene Hall bar with a pn-junction

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

Milovanović, S. P., E-mail: slavisa.milovanovic@uantwerpen.be; Peeters, F. M., E-mail: francois.peeters@uantwerpen.be; Ramezani Masir, M., E-mail: mrmphys@gmail.com

2014-09-22

The magneto- and Hall resistance of a locally gated cross shaped graphene Hall bar is calculated. The edge of the top gate is placed diagonally across the center of the Hall cross. Four-probe resistance is calculated using the Landauer-Büttiker formalism, while the transmission coefficients are obtained using the non-equilibrium Green's function approach. The interplay between transport due to edge channels and snake states is investigated. When two edge channels are occupied, we predict oscillations in the Hall and the bend resistance as function of the magnetic field, which are a consequence of quantum interference between the occupied snake states.

Selective ultrafast probing of transient hot chemisorbed and precursor states of CO on Ru(0001).

PubMed

Beye, M; Anniyev, T; Coffee, R; Dell'Angela, M; Föhlisch, A; Gladh, J; Katayama, T; Kaya, S; Krupin, O; Møgelhøj, A; Nilsson, A; Nordlund, D; Nørskov, J K; Öberg, H; Ogasawara, H; Pettersson, L G M; Schlotter, W F; Sellberg, J A; Sorgenfrei, F; Turner, J J; Wolf, M; Wurth, W; Oström, H

2013-05-03

We have studied the femtosecond dynamics following optical laser excitation of CO adsorbed on a Ru surface by monitoring changes in the occupied and unoccupied electronic structure using ultrafast soft x-ray absorption and emission. We recently reported [M. Dell'Angela et al. Science 339, 1302 (2013)] a phonon-mediated transition into a weakly adsorbed precursor state occurring on a time scale of >2 ps prior to desorption. Here we focus on processes within the first picosecond after laser excitation and show that the metal-adsorbate coordination is initially increased due to hot-electron-driven vibrational excitations. This process is faster than, but occurs in parallel with, the transition into the precursor state. With resonant x-ray emission spectroscopy, we probe each of these states selectively and determine the respective transient populations depending on optical laser fluence. Ab initio molecular dynamics simulations of CO adsorbed on Ru(0001) were performed at 1500 and 3000 K providing insight into the desorption process.

Energy band alignment and electronic states of amorphous carbon surfaces in vacuo and in aqueous environment

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

Caro, Miguel A., E-mail: mcaroba@gmail.com; Department of Applied Physics, COMP Centre of Excellence in Computational Nanoscience, Aalto University, Espoo; Määttä, Jukka

2015-01-21

In this paper, we obtain the energy band positions of amorphous carbon (a–C) surfaces in vacuum and in aqueous environment. The calculations are performed using a combination of (i) classical molecular dynamics (MD), (ii) Kohn-Sham density functional theory with the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional, and (iii) the screened-exchange hybrid functional of Heyd, Scuseria, and Ernzerhof (HSE). PBE allows an accurate generation of a-C and the evaluation of the local electrostatic potential in the a-C/water system, HSE yields an improved description of energetic positions which is critical in this case, and classical MD enables a computationally affordable description of water. Ourmore » explicit calculation shows that, both in vacuo and in aqueous environment, the a-C electronic states available in the region comprised between the H{sub 2}/H{sub 2}O and O{sub 2}/H{sub 2}O levels of water correspond to both occupied and unoccupied states within the a-C pseudogap region. These are localized states associated to sp{sup 2} sites in a-C. The band realignment induces a shift of approximately 300 meV of the a-C energy band positions with respect to the redox levels of water.« less

40 CFR 192.12 - Standards.

Code of Federal Regulations, 2013 CFR

2013-07-01

... level by more than— (1) 5 pCi/g, averaged over the first 15 cm of soil below the surface, and (2) 15 pCi/g, averaged over 15 cm thick layers of soil more than 15 cm below the surface. (b) In any occupied...

40 CFR 192.12 - Standards.

Code of Federal Regulations, 2011 CFR

2011-07-01

... level by more than— (1) 5 pCi/g, averaged over the first 15 cm of soil below the surface, and (2) 15 pCi/g, averaged over 15 cm thick layers of soil more than 15 cm below the surface. (b) In any occupied...

40 CFR 192.12 - Standards.

Code of Federal Regulations, 2012 CFR

2012-07-01

... level by more than— (1) 5 pCi/g, averaged over the first 15 cm of soil below the surface, and (2) 15 pCi/g, averaged over 15 cm thick layers of soil more than 15 cm below the surface. (b) In any occupied...

40 CFR 192.12 - Standards.

Code of Federal Regulations, 2014 CFR

2014-07-01

... level by more than— (1) 5 pCi/g, averaged over the first 15 cm of soil below the surface, and (2) 15 pCi/g, averaged over 15 cm thick layers of soil more than 15 cm below the surface. (b) In any occupied...

40 CFR 192.12 - Standards.

Code of Federal Regulations, 2010 CFR

2010-07-01

... level by more than— (1) 5 pCi/g, averaged over the first 15 cm of soil below the surface, and (2) 15 pCi/g, averaged over 15 cm thick layers of soil more than 15 cm below the surface. (b) In any occupied...

76 FR 27044 - Lead-Based Paint Renovation, Repair and Painting, and Pre-Renovation Education Activities in...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-05-10

..., Repair and Painting, and Pre- Renovation Education Activities in Target Housing and Child Occupied...), and a lead-based paint pre-renovation education program in accordance with section 406(b) of TSCA, 15... renovation and remodeling activities of pre-1978 housing and child-occupied facilities in the State of...

?Cuan buenas son nuestras viviendas?: Los hispanos [How Good Is Our Housing? Hispanics].

ERIC Educational Resources Information Center

Yezer, Anthony; Limmer, Ruth

This report provides statistical information regarding the quality and cost of housing occupied by Hispanic Americans throughout the United States. Some of the findings include: (1) Hispanos occupy older and worse dwellings than the general U.S. population, with a significant number of dwellings lacking heat and adequate electricity and plumbing…

Anticommunism and Academic Freedom: Walter C. Eells and the "Red Purge" in Occupied Japan

ERIC Educational Resources Information Center

Kumano, Ruriko

2010-01-01

In August 1945, Imperial Japan surrendered to the Allied Powers. From September 1945 to April 1952, the United States occupied the defeated country. Douglas MacArthur, an American army general and the Supreme Commander for the Allied Powers (SCAP), attempted to transform Japanese society from an authoritarian regime into a budding democracy.…

Surface, Bulk, and Interface: Rational Design of Hematite Architecture toward Efficient Photo-Electrochemical Water Splitting.

PubMed

Li, Chengcheng; Luo, Zhibin; Wang, Tuo; Gong, Jinlong

2018-05-11

Collecting and storing solar energy to hydrogen fuel through a photo-electrochemical (PEC) cell provides a clean and renewable pathway for future energy demands. Having earth-abundance, low biotoxicity, robustness, and an ideal n-type band position, hematite (α-Fe 2 O 3 ), the most common natural form of iron oxide, has occupied the research hotspot for decades. Here, a close look into recent progress of hematite photoanodes for PEC water splitting is provided. Effective approaches are introduced, such as cocatalysts loading and surface passivation layer deposition, to improve the hematite surface reaction in thermodynamics and kinetics. Second, typical methods for enhancing light absorption and accelerating charge transport in hematite bulk are reviewed, concentrating upon doping and nanostructuring. Third, the back contact between hematite and substrate, which affects interface states and electron transfer, is deliberated. In addition, perspectives on the key challenges and future prospects for the development of hematite photoelectrodes for PEC water splitting are given. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effect of dynamic surface polarization on the oxidative stability of solvents in nonaqueous Li-O 2 batteries

NASA Astrophysics Data System (ADS)

Khetan, Abhishek; Pitsch, Heinz; Viswanathan, Venkatasubramanian

2017-09-01

Polarization-induced renormalization of the frontier energy levels of interacting molecules and surfaces can cause significant shifts in the excitation and transport behavior of electrons. This phenomenon is crucial in determining the oxidative stability of nonaqueous electrolytes in high-energy density electrochemical systems such as the Li-O2 battery. On the basis of partially self-consistent first-principles Sc G W0 calculations, we systematically study how the electronic energy levels of four commonly used solvent molecules, namely, dimethylsulfoxide (DMSO), dimethoxyethane (DME), tetrahydrofuran (THF), and acetonitrile (ACN), renormalize when physisorbed on the different stable surfaces of Li2O2 , the main discharge product. Using band level alignment arguments, we propose that the difference between the solvent's highest occupied molecular orbital (HOMO) level and the surface's valence-band maximum (VBM) is a refined metric of oxidative stability. This metric and a previously used descriptor, solvent's gas phase HOMO level, agree quite well for physisorbed cases on pristine surfaces where ACN is oxidatively most stable followed by DME, THF, and DMSO. However, this effect is intrinsically linked to the surface chemistry of the solvent's interaction with the surface states and defects, and depends strongly on their nature. We conclusively show that the propensity of solvent molecules to oxidize will be significantly higher on Li2O2 surfaces with defects as compared to pristine surfaces. This suggests that the oxidative stability of a solvent is dynamic and is a strong function of surface electronic properties. Thus, while gas phase HOMO levels could be used for preliminary solvent candidate screening, a more refined picture of solvent stability requires mapping out the solvent stability as a function of the state of the surface under operating conditions.

Manifestations of Surface States in the Longitudinal Magnetoresistance of an Array of Bi Nanowires

NASA Astrophysics Data System (ADS)

Latyshev, Yu. I.; Frolov, A. V.; Volkov, V. A.; Wade, T.; Prudkoglyad, V. A.; Orlov, A. P.; Pudalov, V. M.; Konczykowski, M.

2018-04-01

The longitudinal magnetoresistance of the array of parallel-oriented bismuth nanowires each 100 nm in diameter grown by electrochemical deposition in nanopores of an Al2O3 membrane has been studied in magnetic fields up to 14 T and at temperatures down to 0.3 K. The resistance increases with the field and reaches a broad maximum in fields about 10 T. An anomalous increase in the resistance in weak fields is qualitatively consistent with the suppression of the antilocalization correction to the resistance, and the maximum is qualitatively associated with the classical size effect. Near the maximum at temperatures below 0.8 K, manifestations of reproducible magneto-oscillations of the resistance, which are periodic in field, have been detected. The period of these oscillations is close to a value corresponding to the passage of the flux quantum hc/ e through the section of a nanowire. The Fourier analysis also confirms that the oscillations are periodic. This result is similar to the manifestation the Aharonov-Bohm effect caused by conducting surface states of Dirac fermions occupying L-valleys of bismuth.

Process for predicting structural performance of mechanical systems

DOEpatents

Gardner, David R.; Hendrickson, Bruce A.; Plimpton, Steven J.; Attaway, Stephen W.; Heinstein, Martin W.; Vaughan, Courtenay T.

1998-01-01

A process for predicting the structural performance of a mechanical system represents the mechanical system by a plurality of surface elements. The surface elements are grouped according to their location in the volume occupied by the mechanical system so that contacts between surface elements can be efficiently located. The process is well suited for efficient practice on multiprocessor computers.

Ground-state energies and highest occupied eigenvalues of atoms in exchange-only density-functional theory

NASA Astrophysics Data System (ADS)

Li, Yan; Harbola, Manoj K.; Krieger, J. B.; Sahni, Viraht

1989-11-01

The exchange-correlation potential of the Kohn-Sham density-functional theory has recently been interpreted as the work required to move an electron against the electric field of its Fermi-Coulomb hole charge distribution. In this paper we present self-consistent results for ground-state total energies and highest occupied eigenvalues of closed subshell atoms as obtained by this formalism in the exchange-only approximation. The total energies, which are an upper bound, lie within 50 ppm of Hartree-Fock theory for atoms heavier than Be. The highest occupied eigenvalues, as a consequence of this interpretation, approximate well the experimental ionization potentials. In addition, the self-consistently calculated exchange potentials are very close to those of Talman and co-workers [J. D. Talman and W. F. Shadwick, Phys. Rev. A 14, 36 (1976); K. Aashamar, T. M. Luke, and J. D. Talman, At. Data Nucl. Data Tables 22, 443 (1978)].

A phylogenetic test for adaptive convergence in rock-dwelling lizards.

PubMed

Revell, Liam J; Johnson, Michele A; Schulte, James A; Kolbe, Jason J; Losos, Jonathan B

2007-12-01

Phenotypic similarity of species occupying similar habitats has long been taken as strong evidence of adaptation, but this approach implicitly assumes that similarity is evolutionarily derived. However, even derived similarities may not represent convergent adaptation if the similarities did not evolve as a result of the same selection pressures; an alternative possibility is that the similar features evolved for different reasons, but subsequently allowed the species to occupy the same habitat, in which case the convergent evolution of the same feature by species occupying similar habitats would be the result of exaptation. Many lizard lineages have evolved to occupy vertical rock surfaces, a habitat that places strong functional and ecological demands on lizards. We examined four clades in which species that use vertical rock surfaces exhibit long hindlimbs and flattened bodies. Morphological change on the phylogenetic branches leading to the rock-dwelling species in the four clades differed from change on other branches of the phylogeny; evolutionary transitions to rock-dwelling generally were associated with increases in limb length and decreases in head depth. Examination of particular characters revealed several different patterns of evolutionary change. Rock-dwelling lizards exhibited similarities in head depth as a result of both adaptation and exaptation. Moreover, even though rock-dwelling species generally had longer limbs than their close relatives, clade-level differences in limb length led to an overall lack of difference between rock- and non-rock-dwelling lizards. These results indicate that evolutionary change in the same direction in independent lineages does not necessarily produce convergence, and that the existence of similar advantageous structures among species independently occupying the same environment may not indicate adaptation.

Quasi-Equilibrium States in the Tropics Simulated by a Cloud-Resolving Model. Part 1; Specific Features and Budget Analysis

NASA Technical Reports Server (NTRS)

Shie, C.-L.; Tao, W.-K.; Simpson, J.; Sui, C.-H.; Starr, David OC. (Technical Monitor)

2001-01-01

A series of long-term integrations using the two-dimensional Goddard Cumulus Ensemble (GCE) model were performed by altering imposed environmental components to produce various quasi-equilibrium thermodynamic states. Model results show that the genesis of a warm/wet quasi-equilibrium state is mainly due to either strong vertical wind shear (from nudging) or large surface fluxes (from strong surface winds), while a cold/dry quasi-equilibrium state is attributed to a remarkably weakened mixed-wind shear (from vertical mixing due to deep convection) along with weak surface winds. In general, latent heat flux and net large-scale temperature forcing, the two dominant physical processes, dominate in the beginning stage of the simulated convective systems, then considerably weaken in the final stage, which leads to quasi-equilibrium states. A higher thermodynamic regime is found to produce a larger rainfall amount, as convective clouds are the leading source of rainfall over stratiform clouds even though the former occupy much less area. Moreover, convective clouds are more likely to occur in the presence of strong surface winds (latent heat flux), while stratiform clouds (especially the well-organized type) are favored in conditions with strong wind shear (large-scale forcing). The convective systems, which consist of distinct cloud types due to the variation in horizontal winds, are also found to propagate differently. Accordingly, convective systems with mixed-wind shear generally propagate in the direction of shear, while the system with strong (multidirectional) wind shear propagates in a more complex way. Based on the results from the temperature (Q1) and moisture (Q2) budgets, cloud-scale eddies are found to act as a hydrodynamic 'vehicle' that cascades the heat and moisture vertically. Several other specific features such as atmospheric stability, CAPE, and mass fluxes are also investigated and found to be significantly different between diverse quasi-equilibrium states. Detailed comparisons between the various states are presented.

The ecology of mixed severity fire regimes in Washington, Oregon, and Northern California

Treesearch

David Perry; Paul Hessburg; Carl Skinner; Thomas Spies; Scott Stephens; Alan Henry Taylor; Jerry Franklin; Brenda McComb; Greg Riegel

2011-01-01

Forests characterized by mixed-severity fires occupy a broad moisture gradient between lower elevation forests typified by low-severity fires and higher elevation forests in which high-severity, stand replacing fires are the norm. Mixed-severity forest types are poorly documented and little understood but likely occupy significant areas in the western United States. By...

Adsorption and Dissociation of Molecular Oxygen on the (0001) Surface of Double Hexagonal Close Packed Americium

NASA Astrophysics Data System (ADS)

Dholabhai, Pratik; Atta-Fynn, Raymond; Ray, Asok

2008-03-01

Oxygen molecule adsorption on (0001) surface of double hexagonal packed americium has been studied in detail within the framework of density functional theory using a full-potential all-electron linearized augmented plane wave plus local orbitals method. The most stable configuration corresponded to molecular dissociation with the oxygen atoms occupying neighboring three-fold hollow h3 sites. Chemisorption energies and adsorption geometries for the adsorbed species, and change in work functions, magnetic moments, partial charges inside muffin-tins, difference charge density distributions and density of states for the bare Am slab and the Am slab after adsorption of the oxygen molecule will be discussed. The effects of chemisorption on Am 5f electron localization-delocalization in the vicinity of the Fermi level and the reaction barrier calculation for the dissociation of oxygen molecule to the most stable h3 sites will be discussed.

On the chemical enhancement in SERS

NASA Astrophysics Data System (ADS)

Jensen, Lasse

2012-12-01

In Surface-enhanced Raman scattering (SERS), the Raman signal of a molecule adsorbed on a metal surface is enhanced by many orders of magnitude. This provides a "finger-print" of molecules which can be used in ultrasensitive sensing devises. Here we present a time-dependent density functional theory (TDDFT) study of the molecule-surface chemical coupling in SERS. A systematic study of the chemical enhancement (CHEM) of meta-and para-substituted pyridines interacting with a small silver cluster (Ag20) is presented. We find that the magnitude of chemical enhancement is governed to a large extent by the energy difference between the highest occupied energy level (HOMO) of the metal and the lowest unoccupied energy level (LUMO) of the molecule. A two-state approximation shows that the enhancement scales roughly as (ωX/ω¯e)4, where accent="true">ω¯e is an average excitation energy between the HOMO of the metal and the LUMO of the molecule and wX the HOMO-LUMO gap of the free molecule. Furthermore, we demonstrate that it is possible to control the CHEM enhancement by switching a dithienylethene photoswitch from its closed form to its open form. The open form of the photoswitch is found to be the strongest Raman scatterer when adsorbed on the surface whereas the opposite is found for the free molecule. This trend is explained using the simple two-state approximation.

Process for predicting structural performance of mechanical systems

DOEpatents

Gardner, D.R.; Hendrickson, B.A.; Plimpton, S.J.; Attaway, S.W.; Heinstein, M.W.; Vaughan, C.T.

1998-05-19

A process for predicting the structural performance of a mechanical system represents the mechanical system by a plurality of surface elements. The surface elements are grouped according to their location in the volume occupied by the mechanical system so that contacts between surface elements can be efficiently located. The process is well suited for efficient practice on multiprocessor computers. 12 figs.

Analysis of Nb 3Sn surface layers for superconducting radio frequency cavity applications

DOE PAGES

Becker, Chaoyue; Posen, Sam; Groll, Nickolas; ...

2015-02-23

Here, we present an analysis of Nb 3Sn surface layers grown on a bulk Nb coupon prepared at the same time and by the same vapor diffusion process used to make Nb 3Sn coatings on 1.3 GHz Nb cavities. Tunneling spectroscopy reveal a well developed, homogeneous superconducting density of states at the surface with a gap value distribution centered around 2.7 ± 0.4 meV and superconducting critical temperature's (T c) up to 16.3K. Transmission electron microscopy (TEM) performed on cross sections of the sample's surface shows a ~ 2 microns thick Nb 3Sn surface layer. The elemental composition map exhibitsmore » a Nb:Sn ratio of 3:1 with buried substoichiometric regions with a ratio of 5:1. Synchrotron diffraction experiments indicate a polycrystalline Nb 3Sn film and confirm the presence of Nb rich regions that occupies about a third of the coating volume. These low T c regions could play an important role in the dissipation mechanisms occurring during RF tests of Nb 3Sn -coated Nb cavities and open the way for further improving a very promising alternative to pure Nb cavities for particle accelerators.« less

Major Health Issues for States: 1987.

ERIC Educational Resources Information Center

Landes, David

Health care will continue to occupy a prominent place in state legislative deliberations, as indicated by the National Conference of State Legislatures' 1987 State Issues Survey. The survey addressed state actions in these health issue areas: (1) health care for the medically indigent; (2) medical malpractice; (3) certificate of need and health…

A combined experimental and DFT investigation of disazo dye having pyrazole skeleton

NASA Astrophysics Data System (ADS)

Şener, Nesrin; Bayrakdar, Alpaslan; Kart, Hasan Hüseyin; Şener, İzzet

2017-02-01

Disazo dye containing pyrazole skeleton has been synthesized. The structure of the dye has been confirmed by using FT-IR, 1H NMR, 13C NMR, HRMS spectral technique and elemental analysis. The molecular geometry and infrared spectrum are also calculated by the Density Functional Theory (DFT) employing B3LYP level with 6-311G (d,p) basis set. The chemical shifts calculation for 1H NMR of the title molecule is done by using by Gauge-Invariant Atomic Orbital (GIAO) method by utilizing the same basis sets. The total density of state, the partial density of state and the overlap population density of state diagram analysis are done via Gauss Sum 3.0 program. Frontier molecular orbitals such as highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) and molecular electrostatic potential surface on the title molecule are predicted for various intramolecular interactions that are responsible for the stabilization of the molecule. The experimental results and theoretical values have been compared.

Ground-state geometries and stability of impurity doped clusters: LinBe and LinMg (n=1-12)

NASA Astrophysics Data System (ADS)

Deshpande, M.; Dhavale, A.; Zope, R. R.; Chacko, S.; Kanhere, D. G.

2000-12-01

We have investigated the ground-state geometries of LinBe and LinMg (n=1-12) clusters using ab initio molecular dynamics. These divalent impurities Be and Mg induce different geometries and follow a different growth path for n>5. LinMg clusters are significantly different from the host geometries while LinBe clusters can be approximately viewed as Be occupying an interstitial site in the host. Our results indicate that Be gets trapped inside the Li cage, while Mg remains on the surface of the cluster. Mg-induced geometries become three-dimensional earlier at n=4 as compared to the Be system. In spite of a distinct arrangement of atoms in both cases the character of the wave functions in the d manifold is remarkably similar. In both cases an eight valence electron system has been found to be the most stable, in conformity with the spherical jellium model.

Occupancy estimation and modeling with multiple states and state uncertainty

USGS Publications Warehouse

Nichols, J.D.; Hines, J.E.; MacKenzie, D.I.; Seamans, M.E.; Gutierrez, R.J.

2007-01-01

The distribution of a species over space is of central interest in ecology, but species occurrence does not provide all of the information needed to characterize either the well-being of a population or the suitability of occupied habitat. Recent methodological development has focused on drawing inferences about species occurrence in the face of imperfect detection. Here we extend those methods by characterizing occupied locations by some additional state variable ( e. g., as producing young or not). Our modeling approach deals with both detection probabilities,1 and uncertainty in state classification. We then use the approach with occupancy and reproductive rate data from California Spotted Owls (Strix occidentalis occidentalis) collected in the central Sierra Nevada during the breeding season of 2004 to illustrate the utility of the modeling approach. Estimates of owl reproductive rate were larger than naive estimates, indicating the importance of appropriately accounting for uncertainty in detection and state classification.

Malaspina Glacier: a modern analog to the Laurentide Glacier in New England

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

Gustavson, T.C.; Boothroyd, J.C.

1985-01-01

The land-based temperate Malaspina Glacier is a partial analog to the late Wisconsinan Laurentide Ice Sheet that occupied New England and adjacent areas. The Malaspina occupies a bedrock basin similar to basins occupied by the margin of the Laurentide Ice Sheet. Ice lobes of the Malaspina are similar in size to end moraine lobes in southern New England and Long Island,New York. Estimated ice temperature, ablation rates, surface slopes and meltwater discharge per unit of surface area for the Laurentide Ice Sheet are similar to those for the Malaspina Glacier. In a simple hydrologic-fluvial model for the Malaspina Glacier meltwatermore » moves towards the glacier bed and down-glacier along intercrystalline pathways, crevasses and moulins, and a series of tunnels. Regolith and bedrock at the glacier floor, which are eroded and transported by subglacial and englacial streams, are the sources of essentially all fluvio-lacustrine sediment on the Malaspina Foreland. Supraglacial eskers containing coarse gravels occur as much as 100 m above the glacier bed and are evidence that bedload can be lifted hydraulically. Subordinant amounts of sediment are contributed to outwash by small surface streams draining the ice margin. By analogy a similar hydrologic-fluvial system existed along the southeastern margin of the Laurentide Ice Sheet. Subglacial regolith and bedrock eroded from beneath the Laurentide Ice Sheet by meltwater was also the source of most glaciofluvial and glaciolacustrine deposits in southern New England, not sediment carried to the surface of the ice sheet along shear planes and washed off the glacier by meltwater.« less

Why LiFePO4 is a safe battery electrode: Coulomb repulsion induced electron-state reshuffling upon lithiation.

PubMed

Liu, Xiaosong; Wang, Yung Jui; Barbiellini, Bernardo; Hafiz, Hasnain; Basak, Susmita; Liu, Jun; Richardson, Thomas; Shu, Guojiun; Chou, Fangcheng; Weng, Tsu-Chien; Nordlund, Dennis; Sokaras, Dimosthenis; Moritz, Brian; Devereaux, Thomas P; Qiao, Ruimin; Chuang, Yi-De; Bansil, Arun; Hussain, Zahid; Yang, Wanli

2015-10-21

LiFePO4 is a battery cathode material with high safety standards due to its unique electronic structure. We performed systematic experimental and theoretical studies based on soft X-ray emission, absorption, and hard X-ray Raman spectroscopy of LixFePO4 nanoparticles and single crystals. The results clearly show a non-rigid electron-state reconfiguration of both the occupied and unoccupied Fe-3d and O-2p states during the (de)lithiation process. We focus on the energy configurations of the occupied states of LiFePO4 and the unoccupied states of FePO4, which are the critical states where electrons are removed and injected during the charge and discharge process, respectively. In LiFePO4, the soft X-ray emission spectroscopy shows that, due to the Coulomb repulsion effect, the occupied Fe-3d states with the minority spin sit close to the Fermi level. In FePO4, the soft X-ray absorption and hard X-ray Raman spectroscopy show that the unoccupied Fe-3d states again sit close to the Fermi level. These critical 3d electron state configurations are consistent with the calculations based on modified Becke and Johnson potentials GGA+U (MBJGGA+U) framework, which improves the overall lineshape prediction compared with the conventionally used GGA+U method. The combined experimental and theoretical studies show that the non-rigid electron state reshuffling guarantees the stability of oxygen during the redox reaction throughout the charge and discharge process of LiFePO4 electrodes, leading to the intrinsic safe performance of the electrodes.

Soil moisture

Treesearch

L. L. Boersma; D. Kirkham; D. Norum; R. Ziemer; J. C. Guitjens; J. Davidson; J. N. Luthin

1971-01-01

Infiltration continues to occupy the attention of soil physicists and engineers. A theoretical and experimental analysis of the effect of surface sealing on infiltration by Edwards and Larson [1969] showed that raindrops reduced the infiltration rate by as much as 50% for a two-hour period of infiltration. The effect of raindrops on the surface infiltration rate of...

36 CFR 7.26 - Death Valley National Monument.

Code of Federal Regulations, 2011 CFR

2011-07-01

... prescribed to govern the surface use of claims therein: (1) The claim shall be occupied and used exclusively... of an authorized officer or employee of the National Park Service the surface of the claim may be... prescribed when permission is granted. (2) The owner of the claim and all persons holding under him shall...

36 CFR 7.26 - Death Valley National Monument.

Code of Federal Regulations, 2013 CFR

2013-07-01

... prescribed to govern the surface use of claims therein: (1) The claim shall be occupied and used exclusively... of an authorized officer or employee of the National Park Service the surface of the claim may be... prescribed when permission is granted. (2) The owner of the claim and all persons holding under him shall...

36 CFR 7.26 - Death Valley National Monument.

Code of Federal Regulations, 2014 CFR

2014-07-01

... prescribed to govern the surface use of claims therein: (1) The claim shall be occupied and used exclusively... of an authorized officer or employee of the National Park Service the surface of the claim may be... prescribed when permission is granted. (2) The owner of the claim and all persons holding under him shall...

36 CFR 7.26 - Death Valley National Monument.

Code of Federal Regulations, 2012 CFR

2012-07-01

... prescribed to govern the surface use of claims therein: (1) The claim shall be occupied and used exclusively... of an authorized officer or employee of the National Park Service the surface of the claim may be... prescribed when permission is granted. (2) The owner of the claim and all persons holding under him shall...

Observing Quantum State Diffusion by Heterodyne Detection of Fluorescence

NASA Astrophysics Data System (ADS)

Campagne-Ibarcq, P.; Six, P.; Bretheau, L.; Sarlette, A.; Mirrahimi, M.; Rouchon, P.; Huard, B.

2016-01-01

A qubit can relax by fluorescence, which prompts the release of a photon into its electromagnetic environment. By counting the emitted photons, discrete quantum jumps of the qubit state can be observed. The succession of states occupied by the qubit in a single experiment, its quantum trajectory, depends in fact on the kind of detector. How are the quantum trajectories modified if one measures continuously the amplitude of the fluorescence field instead? Using a superconducting parametric amplifier, we perform heterodyne detection of the fluorescence of a superconducting qubit. For each realization of the measurement record, we can reconstruct a different quantum trajectory for the qubit. The observed evolution obeys quantum state diffusion, which is characteristic of quantum measurements subject to zero-point fluctuations. Independent projective measurements of the qubit at various times provide a quantitative verification of the reconstructed trajectories. By exploring the statistics of quantum trajectories, we demonstrate that the qubit states span a deterministic surface in the Bloch sphere at each time in the evolution. Additionally, we show that when monitoring fluorescence field quadratures, coherent superpositions are generated during the decay from excited to ground state. Counterintuitively, measuring light emitted during relaxation can give rise to trajectories with increased excitation probability.

Ultrafast plasmon-enhanced hot electron process in model heterojunctions: Ag/TiO2 and Ag/graphite

NASA Astrophysics Data System (ADS)

Petek, Hrvoje

We study the plasmonically enhanced nonlinear photoemission from Ag nanocluster-decorated graphite and TiO2(110) surfaces by time-resolved two-photon photoemission spectroscopy (TR-2PP). Evaporating Ag atoms on graphite and TiO2 surfaces forms pancake-like Ag clusters with 5 nm diameter and 1-1.5 nm height through self-limiting growth mode. The Ag nanoparticles enhance the two-photon photoemission (2PP) signal by approximately two-orders of magnitude as compared with the bare surfaces for p-polarized excitation. In the case of s-polarization there is essentially no enhancement for graphite, and only about an order-of-magnitude enhancement for TiO2. Wavelength dependent measurements of the enhancement reveal that for Ag/graphite there is a single plasmonic resonance due to the ⊥-plasmon mode at 3.6 eV. By contrast, for Ag/TiO2 there are ⊥ and ||-plasmon modes with resonant energies of 3.8 and 3.1 eV, respectively. Apparently the dielectric properties of the substrate have strong influence on the type and frequency of Ag plasmonic modes that can exist on the surfaces. 2PP spectra of the Ag/graphite and Ag/TiO2 surfaces reveal two distinct components that are common to both. The high energy component consists of a coherent 2PP process from an occupied interface state, which only exists in the presence of Ag. We identify this state, as an interface state formed by charge donation from the Ag-5s band to the unoccupied states of the substrates. The low energy component consists of a hot electron signal that is created by plasmon dephasing. TR-2PP measurements are performed on the plasmon-induced electron dynamics to assess their relevance for plasmonically enhanced femtochemistry. This research was supported by NSF Grant CHE-1414466.

Ligand-induced Epitope Masking

PubMed Central

Mould, A. Paul; Askari, Janet A.; Byron, Adam; Takada, Yoshikazu; Jowitt, Thomas A.; Humphries, Martin J.

2016-01-01

We previously demonstrated that Arg-Gly-Asp (RGD)-containing ligand-mimetic inhibitors of integrins are unable to dissociate pre-formed integrin-fibronectin complexes (IFCs). These observations suggested that amino acid residues involved in integrin-fibronectin binding become obscured in the ligand-occupied state. Because the epitopes of some function-blocking anti-integrin monoclonal antibodies (mAbs) lie near the ligand-binding pocket, it follows that the epitopes of these mAbs may become shielded in the ligand-occupied state. Here, we tested whether function-blocking mAbs directed against α5β1 can interact with the integrin after it forms a complex with an RGD-containing fragment of fibronectin. We showed that the anti-α5 subunit mAbs JBS5, SNAKA52, 16, and P1D6 failed to disrupt IFCs and hence appeared unable to bind to the ligand-occupied state. In contrast, the allosteric anti-β1 subunit mAbs 13, 4B4, and AIIB2 could dissociate IFCs and therefore were able to interact with the ligand-bound state. However, another class of function-blocking anti-β1 mAbs, exemplified by Lia1/2, could not disrupt IFCs. This second class of mAbs was also distinguished from 13, 4B4, and AIIB2 by their ability to induce homotypic cell aggregation. Although the epitope of Lia1/2 was closely overlapping with those of 13, 4B4, and AIIB2, it appeared to lie closer to the ligand-binding pocket. A new model of the α5β1-fibronectin complex supports our hypothesis that the epitopes of mAbs that fail to bind to the ligand-occupied state lie within, or very close to, the integrin-fibronectin interface. Importantly, our findings imply that the efficacy of some therapeutic anti-integrin mAbs could be limited by epitope masking. PMID:27484800

Strategic spectrum plan : November 2005.

DOT National Transportation Integrated Search

2005-11-01

The United States Department of Transportation (DOT) occupies a leadership role in the : global transportation network. The people of DOT are dedicated to improving : transportation in the United States and around the world by making it safer, simple...

Characterization of one-dimensional molecular chains of 4,4'-biphenyl diisocyanide on Au(111) by scanning tunneling microscopy

DOE PAGES

Zhou, Jing; Li, Yan; Zahl, Percy; ...

2015-03-14

The morphology and electronic structure of vapor deposited 4,4'-biphenyldiisocyanide (BPDI) on a Au(111) surface were investigated using variable-temperature scanning tunneling microscopy (STM). When deposited at room temperature, BPDI molecules form one-dimensional molecular chains similar to that recently observed for the structurally related 1,4-phenyl diisocyanide (PDI). Compared to PDI, the longer periodicity for the BPDI molecular chains is consistent with the addition of a second phenyl ring and supports a structural model in which the BPDI molecules lie parallel to the surface and interconnected by Au-adatoms. The molecular chains are mostly aligned along the [110] direction of the Au(111) substrate, butmore » exhibit frequent changes in angle that are consistent with directions between fcc and hcp three-fold hollow sites. Dispersion-corrected density functional theory calculations for one-dimensional chains of BPDI molecules bound end-to-end via their isocyanide groups to Au-adatoms reproduce the observed periodicity of the chains and show that this morphology is energetically favored over upright binding with one free –NC group. The spatially resolved conductance (dI/dV) map for BPDI on Au(111) exhibits a feature centered at -0.67 eV below the Fermi level which are delocalized along the chain with maxima at the Au-adatom and biphenyl positions. This occupied resonant feature is close to that previously observed for the PDI in both photoemission and conductance measurements and is attributed to an occupied interfacial state resulting from BPDI-Au interactions« less

Status and conservation of interior Redband Trout in the western United States

USGS Publications Warehouse

Muhlfeld, Clint C.; Albeke, Shannon E.; Gunckel, Stephanie L; Writer, Benjamin J; Shepard, Bradley B.; May, Bruce E

2015-01-01

In this article we describe the current status and conservation of interior (potamodromous) Redband Trout Oncorhynchus mykiss sspp. throughout its range in the western United States using extant data and expert opinion provided by fish managers. Redband Trout historically occupied 60,295 km of stream habitat and 152 natural lakes. Currently, Redband Trout occupy 25,417 km of stream habitat (42% of their historical range) and 124 lakes or reservoirs. Nonhybridized populations are assumed to occupy 11,695 km (46%) of currently occupied streams; however, fish from only 4,473 km (18%) have been genetically tested. Approximately 47% of the streams occupied by Redband Trout occur on private land, 45% on government lands, and 8% in protected areas. A total of 210 Redband Trout populations, occupying 15,252 km of stream habitat (60% of the current distribution) and 95,158 ha of lake habitat (52%), are being managed as “conservation populations.” Most conservation populations have been designated as weakly to strongly connected metapopulations (125; 60%) and occupy much more stream length (14,112 km; 93%) than isolated conservation populations (1,141 km; 7%). The primary threats to Redband Trout include invasive species, habitat degradation and fragmentation, and climate change. Although the historical distribution of interior Redband Trout has declined dramatically, we conclude that the species is not currently at imminent risk of extinction because it is still widely distributed with many populations isolated by physical barriers and active conservation efforts are occurring for many populations. However, the hybridization status of many populations has not been well quantified, and introgression may be more prevalent than documented here. We recommend (1) collecting additional genetic data and estimating distribution and abundance by means of a more rigorous spatial sampling design to reduce uncertainties, (2) collecting additional information to assess and predict the impacts of climate on populations, and (3) continuing to use this database to evaluate the status of Redband Trout and inform conservation efforts through time.

United States Air Force Agency Financial Report 2013

DTIC Science & Technology

2013-01-01

of the Berlin Airlift. Following World War II, Germany was divided into four sectors . Although Berlin was located in the Soviet controlled...eastern sector of Germany, the city was also divided into four sections. The U.S., Great Britain, and France occupied the western portion of Berlin and...the Soviets occupied the eastern portion. In June 1948, the Soviet Union blocked the Allies’ railway, road, and canal access to those sectors of

Studies in Intelligence. Volume 55, Number 4

DTIC Science & Technology

2011-12-01

at manipulating the Japanese occupiers and adept at collecting ” intelligence. The situation in Siam was different from any that had ever...what might best be described as a patriotic governmental conspiracy against the Japanese in which most of the key fig- ures of the state were...Bangkok in early 1945. At least 7,000 of the 60,000 Japanese troops who occupied the country were based in Bangkok, many within a few hundred

In situ fabrication of hollow hydroxyapatite microspheres by phosphate solution immersion

NASA Astrophysics Data System (ADS)

Wang, Yingchun; Yao, Aihua; Huang, Wenhai; Wang, Deping; zhou, Jun

2011-07-01

Hollow hydroxyapatite (HAP) microspheres with pores on their surfaces were prepared by converting Li 2O-CaO-B 2O 3 (LCB) glass microspheres in phosphate solution. The structure, phase composition, surface morphology, and porosity of the hollow HAP microspheres were characterized by SEM, SEM-EDS, XRD, FTIR, ICP-AES, and N 2 adsorption-desorption techniques. The formation and conversion mechanism of the hollow HAP microspheres during immersion process were discussed. The as-prepared microspheres consisted of calcium deficient carbonated hydroxyapatite, which is biomimetic. FTIR spectra indicated that the resulting apatite were B-type CO 3HAP, in which carbonate ions occupied the phosphate sites. After 600 °C heating treatment, hollow microspheres were completely composed of calcium deficient hydroxyapatite crystals including CO32-. The pore size distribution of the as-prepared hollow HAP microspheres were mainly the mesopores in the range of 2-40 nm with the pore volume 0.5614 cm 3/g, and the mean pore size 10.5 nm, respectively. The results confirmed that LCB glass were transformed to hydroxyapatite without changing the external shape and dimension of the original glass object and the resulting microspheres possessed good hollow structures. Once immersed in phosphate solution, Ca-P-OH hydrates were in situ formed on the surface of the glass and precipitated in the position occupied by Ca 2+, while the pores were formed in the position occupied by Li + and B 3+. These hollow HAP microspheres with such structures may be used as promising drug delivery devices.

7 CFR 1940.564 - Section 502 subsidized guaranteed Rural Housing loans.

Code of Federal Regulations, 2012 CFR

2012-01-01

...: (1) State's percentage of the National number of rural occupied substandard units, (2) State's percentage of the National rural population in places of less than 2,500 population, (3) State's percentage of the national number of rural households below 80 percent of the area median income, and (4) State...

7 CFR 1940.564 - Section 502 subsidized guaranteed Rural Housing loans.

Code of Federal Regulations, 2013 CFR

2013-01-01

...: (1) State's percentage of the National number of rural occupied substandard units, (2) State's percentage of the National rural population in places of less than 2,500 population, (3) State's percentage of the national number of rural households below 80 percent of the area median income, and (4) State...

7 CFR 1940.564 - Section 502 subsidized guaranteed Rural Housing loans.

Code of Federal Regulations, 2014 CFR

2014-01-01

...: (1) State's percentage of the National number of rural occupied substandard units, (2) State's percentage of the National rural population in places of less than 2,500 population, (3) State's percentage of the national number of rural households below 80 percent of the area median income, and (4) State...

7 CFR 1940.564 - Section 502 subsidized guaranteed Rural Housing loans.

Code of Federal Regulations, 2011 CFR

2011-01-01

...: (1) State's percentage of the National number of rural occupied substandard units, (2) State's percentage of the National rural population in places of less than 2,500 population, (3) State's percentage of the national number of rural households below 80 percent of the area median income, and (4) State...

7 CFR 1940.564 - Section 502 subsidized guaranteed Rural Housing loans.

Code of Federal Regulations, 2010 CFR

2010-01-01

...: (1) State's percentage of the National number of rural occupied substandard units, (2) State's percentage of the National rural population in places of less than 2,500 population, (3) State's percentage of the national number of rural households below 80 percent of the area median income, and (4) State...

Estimate of the Coulomb correlation energy in CeAg2Ge2 from inverse photoemission and high resolution photoemission spectroscopy

NASA Astrophysics Data System (ADS)

Banik, Soma; Arya, A.; Bendounan, Azzedine; Maniraj, M.; Thamizhavel, A.; Vobornik, I.; Dhar, S. K.; Deb, S. K.

2014-08-01

The occupied and the unoccupied electronic structure of CeAg2Ge2 single crystal has been studied using high resolution photoemission and inverse photoemission spectroscopy, respectively. High resolution photoemission reveals the clear signature of Ce 4f states in the occupied electronic structure which was not observed clearly in our earlier studies. The Coulomb correlation energy in this system has been determined experimentally from the position of the 4f states above and below the Fermi level. Theoretically, the correlation energy has been determined by using the first principles density functional calculations within the generalized gradient approximations taking into account the strong intra-atomic (on-site) interaction Hubbard Ueff term. The calculated valence band shows minor changes in the spectral shape with increasing Ueff due to the fact that the density of Ce 4f state is narrow in the occupied part and is hybridized with the Ce 5d, Ag 4d and Ge 4p states. On the other hand, substantial changes are observed in the spectral shape of the calculated conduction band with increasing Ueff since the density of Ce 4f state is very large in the unoccupied part, compared to other states. The estimated value of correlation energy for CeAg2Ge2 from the experiment and the theory is ≈ 4.2 eV. The resonant photoemission data are analyzed in the framework of the single-impurity Anderson model which further confirms the presence of the Coulomb correlation energy and small hybridization in this system.

First principles absorption spectra of Cu{sub n} (n = 2 - 20) clusters.

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

Baishya, K.; Idrobo, J. C.; Ogut, S.

2011-06-17

Optical absorption spectra for the computed ground state structures of copper clusters (Cu{sub n}, n = 2-20) are investigated from first principles using time-dependent density functional theory in the adiabatic local density approximation (TDLDA). The results are compared with available experimental data, existing calculations, and with results from our previous computations on silver and gold clusters. The main effects of d electrons on the absorption spectra, quenching the oscillator strengths, and getting directly involved in low-energy excitations increase in going from Ag{sub n} to Au{sub n} to Cu{sub n} due to the increase in the hybridization of the occupied, yetmore » shallow, d orbitals and the partially occupied s orbitals. We predict that while Cu nanoparticles of spherical or moderately ellipsoidal shape do not exhibit Mie (surface plasmon) resonances, unlike the case for Ag and Au, extremely prolate or oblate Cu nanoparticles with eccentricities near unity should give rise to Mie resonances in the lower end of the visible range and in the infrared. This tunable resonance predicted by the classical Mie-Gans theory is reproduced with remarkable accuracy by our TDLDA computations on hypothetical Cu clusters in the form of zigzag chains with as few as 6 to 20 atoms.« less

Liquid Hydrocarbons on Titan's Surface? How Cassini ISS Observations Fit into the Story (So Far)

NASA Technical Reports Server (NTRS)

Turtle, E. P.; Dawson, D. D.; Fussner, S.; Hardegree-Ullman, E.; Ewen, A. S.; Perry, J.; Porco, C. C.; West, R. A.

2005-01-01

Titan is the only satellite in our Solar System with a substantial atmosphere, the origins and evolution of which are still not well understood. Its primary (greater than 90%) component is nitrogen, with a few percent methane and lesser amounts of other species. Methane and ethane are stable in the liquid state under the temperature and pressure conditions in Titan s lower atmosphere and at the surface; indeed, clouds, likely composed of methane, have been detected. Photochemical processes acting in the atmosphere convert methane into more complex hydrocarbons, creating Titan s haze and destroying methane over relatively short timescales. Therefore, it has been hypothesized that Titan s surface has reservoirs of liquid methane which serve to resupply the atmosphere. Early observations of Titan s surface revealed albedo patterns which have been interpreted as dark hydrocarbon liquids occupying topographically low regions between higher-standing exposures of bright, water-ice bedrock, although this is far from being the only explanation for the observed albedo contrast. Observations made by the Imaging Science Subsystem during Cassini's approach to Saturn and its first encounters with Titan show the bright and dark regions in greater detail but have yet to resolve the question of whether there are liquids on the surface.

24 CFR 17.45 - Unallowable claims.

Code of Federal Regulations, 2010 CFR

2010-04-01

... United States. Property loss or damage in quarters occupied by the claimant within the 50 States or the District of Columbia that were not assigned to him or otherwise provided in kind by the United States. (b) Business property. Property used for business or profit. (c) Unserviceable property. Wornout or...

Chromium Recharging Processes in the Y3Al5O12: Mg, Cr Single Crystal under the Reducing and Oxidizing Annealing Influence

DTIC Science & Technology

2001-01-01

approximately 0.2% of total number of chromium ions occupied tetrahedral sites forming phototropic centers in the YAG: Mg, Cr crystal. Keywords: yttrium...aluminium garnet, Cr doping, thermal treatment, phototropic centers, optical characterization, electron paramagnetic resonance. 1. INTRODUCTION An...of garnet structure while the main part of chromium occupies octahedral sites in three-valence state. 10-12 The dependence of amount of phototropic

American Indians in New York State. Program Brief No. 2.

ERIC Educational Resources Information Center

Finkell, A. Garry; Ceresia, Charles S.

According to the 1970 census, New York State has the tenth largest Indian population in the United States; 1978 tribal enrollment was 12,500--up about 25% over 1970. The nine Indian reservations are owned and occupied by Iroquois, Poospatuck, and Shinnecock Indians, all of whom are indigenous to New York State. Enrollment in the Iroquois…

Ozone reaction with interior building materials: Influence of diurnal ozone variation, temperature and humidity

NASA Astrophysics Data System (ADS)

Rim, Donghyun; Gall, Elliott T.; Maddalena, Randy L.; Nazaroff, William W.

2016-01-01

Elevated tropospheric ozone concentrations are associated with increased morbidity and mortality. Indoor ozone chemistry affects human exposure to ozone and reaction products that also may adversely affect health and comfort. Reactive uptake of ozone has been characterized for many building materials; however, scant information is available on how diurnal variation of ambient ozone influences ozone reaction with indoor surfaces. The primary objective of this study is to investigate ozone-surface reactions in response to a diurnally varying ozone exposure for three common building materials: ceiling tile, painted drywall, and carpet tile. A secondary objective is to examine the effects of air temperature and humidity. A third goal is to explore how conditioning of materials in an occupied office building might influence subsequent ozone-surface reactions. Experiments were performed at bench-scale with inlet ozone concentrations varied to simulate daytime (ozone elevated) and nighttime (ozone-free in these experiments) periods. To simulate office conditions, experiments were conducted at two temperatures (22 °C and 28 °C) and three relative humidity values (25%, 50%, 75%). Effects of indoor surface exposures were examined by placing material samples in an occupied office and repeating bench-scale characterization after exposure periods of 1 and 2 months. Deposition velocities were observed to be highest during the initial hour of ozone exposure with slow decrease in the subsequent hours of simulated daytime conditions. Daily-average ozone reaction probabilities for fresh materials are in the respective ranges of (1.7-2.7) × 10-5, (2.8-4.7) × 10-5, and (3.0-4.5) × 10-5 for ceiling tile, painted drywall, and carpet tile. The reaction probability decreases by 7%-47% across the three test materials after two 8-h periods of ozone exposure. Measurements with the samples from an occupied office reveal that deposition velocity can decrease or increase with time. Influence of temperature and humidity on ozone-surface reactivity was not strong.

DISTRIBUTION OF 2,4-D IN AIR AND ON SURFACES INSIDE RESIDENCES FOLLOWING LAWN APPLICATIONS: COMPARING EXPOSURE ESTIMATES FOR YOUNG CHILDREN FROM VARIOUS MEDIA

EPA Science Inventory

Indoor air, surface wipes (floors, table tops and window sills) and floor dust samples were collected at multiple locations within 11 occupied and 2 unoccupied homes both prior to and following lawn application of the herbicide 2,4-D. Residue measurements were made over period...

Pd surface and Pt subsurface segregation in Pt1-c Pd c nanoalloys

NASA Astrophysics Data System (ADS)

De Clercq, A.; Giorgio, S.; Mottet, C.

2016-02-01

The structure and chemical arrangement of Pt1-c Pd c nanoalloys with the icosahedral and face centered cubic symmetry are studied using Monte Carlo simulations with a tight binding interatomic potential fitted to density-functional theory calculations. Pd surface segregation from the lowest to the highest coordinated sites is predicted by the theory together with a Pt enrichment at the subsurface, whatever the structure and the size of the nanoparticles, and which subsists when increasing the temperature. The onion-shell chemical configuration is found for both symmetries and is initiated from the Pd surface segregation. It is amplified in the icosahedral symmetry and small sizes but when considering larger sizes, the oscillating segregation profile occurs near the surface on about three to four shells whatever the structure. Pd segregation results from the significant lower cohesive energy of Pd as compared to Pt and the weak ordering tendency leads to the Pt subsurface segregation. The very weak size mismatch does not prevent the bigger atoms (Pt) from occupying subsurface sites which are in compression whereas the smaller ones (Pd) occupy the central site of the icosahedra where the compression is an order of magnitude higher.

Utilization of surface mine ponds in East Tennessee by breeding amphibians

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

Turner, L.J.; Fowler, D.K.

1981-06-01

Of 24 ponds examined on Ollis Creek Surface Mine, Campbell County, Tennessee, 21 contained breeding amphibians. Twelve species of amphibians were identified in ponds that ranged from 4.0 to 8.0 in pH. Although ponds with low pH values were used by breeding amphibians, significantly more amphibian species were found in ponds with higher pH values. The average pH of ponds occupied by each amphibian species varied. Spring peepers (Hyla crucifer) occupied ponds with the lowest average pH (5.22) while upland chorus frogs (Pseudacris triseriata feriarum) utilized ponds with the highest average pH (6.33). Findings indicated high biological productivity in surfacemore » mine ponds. Aquatic vegetation was present in 20 of the 24 ponds. Aquatic insects and a diverse wildlife fauna utilized the study ponds. Large mammals (3 species), waterbirds (17 species), and snakes (2 species) were among those species observed. Surface mine ponds were found to supply an important habitat component for a variety of wildlife species and therefore improve the quality of wildlife habitat on the surface mines. In some areas, mine ponds are the only source of surface water available for wildlife use. 23 references, 9 figures, 5 tables.« less

Turning copper metal into a Weyl semimetal

NASA Astrophysics Data System (ADS)

Du, Yongping; Kan, Er-jun; Xu, Hu; Savrasov, Sergey Y.; Wan, Xiangang

2018-06-01

A search for new topological quantum systems is challenging due to the requirement of nontrivial band connectivity that leads to protected surface states of electrons. Progress in this field was primarily due to a realization of a band inversion mechanism between even and odd parity states that was proven to be very useful in both predicting many such systems and our understanding of their topological properties. Despite many proposed materials that assume the band inversion between s and p (or p /d , d /f ) electrons, here, we explore a different mechanism where the occupied d states subjected to a tetrahedral crystal field produce an active t2 g manifold behaving as a state with an effective orbital momentum equal to -1 , and pushing jeff=1 /2 doublet at a higher energy. Via hybridization with nearest-neighbor orbitals realizable, e.g., in a zinc-blende structural environment, this allows a formation of odd parity state whose subsequent band inversion with an unoccupied s band becomes possible, prompting us to look for the compounds with Cu+1 ionic state. Chemical valence arguments coupled to a search in the materials database of zinc-blende-like lattice space groups Td2 (F 4 ¯3 m ) lead us to systematically investigate electronic structures and topological properties of CuY (Y =F , Cl, Br, I) and Cu X O (X =Li , Na, K, Rb) families of compounds. Our theoretical results show that CuF displays a behavior characteristic of an ideal Weyl semimetal with 24 Weyl nodes at the bulk Brillouin zone. We also find that other compounds, CuNaO and CuLiO, are the s -d inversion-type topological insulators. Results for their electronic structures and corresponding surfaces states are presented and discussed in the context of their topological properties.

7 CFR 1940.565 - Section 502 subsidized Rural Housing loans.

Code of Federal Regulations, 2011 CFR

2011-01-01

... percentage of the National number of rural occupied substandard units, (2) State's percentage of the National rural population, (3) State's percentage of the National rural population in places of less than 2,500 population, (4) State's percentage of the National number of rural households between 50 and 80 percent of...

7 CFR 1940.565 - Section 502 subsidized Rural Housing loans.

Code of Federal Regulations, 2010 CFR

2010-01-01

... percentage of the National number of rural occupied substandard units, (2) State's percentage of the National rural population, (3) State's percentage of the National rural population in places of less than 2,500 population, (4) State's percentage of the National number of rural households between 50 and 80 percent of...

Electronic structure of O-doped SiGe calculated by DFT + U method

NASA Astrophysics Data System (ADS)

Zhao, Zong-Yan; Yang, Wen; Yang, Pei-Zhi

2016-12-01

To more in depth understand the doping effects of oxygen on SiGe alloys, both the micro-structure and properties of O-doped SiGe (including: bulk, (001) surface, and (110) surface) are calculated by DFT + U method in the present work. The calculated results are as follows. (i) The (110) surface is the main exposing surface of SiGe, in which O impurity prefers to occupy the surface vacancy sites. (ii) For O interstitial doping on SiGe (110) surface, the existences of energy states caused by O doping in the band gap not only enhance the infrared light absorption, but also improve the behaviors of photo-generated carriers. (iii) The finding about decreased surface work function of O-doped SiGe (110) surface can confirm previous experimental observations. (iv) In all cases, O doing mainly induces the electronic structures near the band gap to vary, but is not directly involved in these variations. Therefore, these findings in the present work not only can provide further explanation and analysis for the corresponding underlying mechanism for some of the experimental findings reported in the literature, but also conduce to the development of μc-SiGe-based solar cells in the future. Project supported by the Natural Science Foundation of Yunnan Province, China (Grant No. 2015FB123), the 18th Yunnan Province Young Academic and Technical Leaders Reserve Talent Project, China (Grant No. 2015HB015), and the National Natural Science Foundation of China (Grant No. U1037604).

Ligand-induced Epitope Masking: DISSOCIATION OF INTEGRIN α5β1-FIBRONECTIN COMPLEXES ONLY BY MONOCLONAL ANTIBODIES WITH AN ALLOSTERIC MODE OF ACTION.

PubMed

Mould, A Paul; Askari, Janet A; Byron, Adam; Takada, Yoshikazu; Jowitt, Thomas A; Humphries, Martin J

2016-09-30

We previously demonstrated that Arg-Gly-Asp (RGD)-containing ligand-mimetic inhibitors of integrins are unable to dissociate pre-formed integrin-fibronectin complexes (IFCs). These observations suggested that amino acid residues involved in integrin-fibronectin binding become obscured in the ligand-occupied state. Because the epitopes of some function-blocking anti-integrin monoclonal antibodies (mAbs) lie near the ligand-binding pocket, it follows that the epitopes of these mAbs may become shielded in the ligand-occupied state. Here, we tested whether function-blocking mAbs directed against α5β1 can interact with the integrin after it forms a complex with an RGD-containing fragment of fibronectin. We showed that the anti-α5 subunit mAbs JBS5, SNAKA52, 16, and P1D6 failed to disrupt IFCs and hence appeared unable to bind to the ligand-occupied state. In contrast, the allosteric anti-β1 subunit mAbs 13, 4B4, and AIIB2 could dissociate IFCs and therefore were able to interact with the ligand-bound state. However, another class of function-blocking anti-β1 mAbs, exemplified by Lia1/2, could not disrupt IFCs. This second class of mAbs was also distinguished from 13, 4B4, and AIIB2 by their ability to induce homotypic cell aggregation. Although the epitope of Lia1/2 was closely overlapping with those of 13, 4B4, and AIIB2, it appeared to lie closer to the ligand-binding pocket. A new model of the α5β1-fibronectin complex supports our hypothesis that the epitopes of mAbs that fail to bind to the ligand-occupied state lie within, or very close to, the integrin-fibronectin interface. Importantly, our findings imply that the efficacy of some therapeutic anti-integrin mAbs could be limited by epitope masking. © 2016 by The American Society for Biochemistry and Molecular Biology, Inc.

Optimized surface topography of thermoplastics blends modified by graphene

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

Joshi, Girish M., E-mail: varadgm@gmail.com, E-mail: girish.joshi@vit.ac.in; Sharma, Ajay; Pandey, Mayank

2016-05-23

Polyacrilonitrile (PAN)/ Polyvinylfloride (PVDF) blends were modified by loading the graphene (0.5 to 1.5 wt %). The presence of graphene reveals the interesting surface properties. The decrease in surface roughness as function of graphene loading was confirmed by the topographic method of recording (two and three dimensional images) with atomic force microscope (AFM). The blends become smoother in nature due to occupied smaller surface area of graphene. This property may be useful for several applications in the marine, naval, nuclear domain and engineering applications as barrier medium.

Adsorption and desorption of hydrogen at nonpolar GaN (1 1 ¯ 00 ) surfaces: Kinetics and impact on surface vibrational and electronic properties

NASA Astrophysics Data System (ADS)

Lymperakis, L.; Neugebauer, J.; Himmerlich, M.; Krischok, S.; Rink, M.; Kröger, J.; Polyakov, V. M.

2017-05-01

The adsorption of hydrogen at nonpolar GaN (1 1 ¯00 ) surfaces and its impact on the electronic and vibrational properties is investigated using surface electron spectroscopy in combination with density functional theory (DFT) calculations. For the surface mediated dissociation of H2 and the subsequent adsorption of H, an energy barrier of 0.55 eV has to be overcome. The calculated kinetic surface phase diagram indicates that the reaction is kinetically hindered at low pressures and low temperatures. At higher temperatures ab initio thermodynamics show, that the H-free surface is energetically favored. To validate these theoretical predictions experiments at room temperature and under ultrahigh vacuum conditions were performed. They reveal that molecular hydrogen does not dissociatively adsorb at the GaN (1 1 ¯00 ) surface. Only activated atomic hydrogen atoms attach to the surface. At temperatures above 820 K, the attached hydrogen gets desorbed. The adsorbed hydrogen atoms saturate the dangling bonds of the gallium and nitrogen surface atoms and result in an inversion of the Ga-N surface dimer buckling. The signatures of the Ga-H and N-H vibrational modes on the H-covered surface have experimentally been identified and are in good agreement with the DFT calculations of the surface phonon modes. Both theory and experiment show that H adsorption results in a removal of occupied and unoccupied intragap electron states of the clean GaN (1 1 ¯00 ) surface and a reduction of the surface upward band bending by 0.4 eV. The latter mechanism largely reduces surface electron depletion.

Theory of Charged Quantum Dot Molecules

NASA Astrophysics Data System (ADS)

Ponomarev, I. V.; Scheibner, M.; Stinaff, E. A.; Bracker, A. S.; Doty, M. F.; Ware, M. E.; Gammon, D.; Reinecke, T. L.; Korenev, V. L.

2006-03-01

Recent optical spectroscopy of excitonic molecules in coupled quantum dots (CQDs) tuned by electric field reveal a richer diversity in spectral line patterns than in their single quantum dot counterparts. We developed a theoretical model that allows us to classify energies and intensities of various PL transitions. In this approach the electric field induced resonance tunneling of the electron and hole states occurs at different biases due to the inherent asymmetry of CQDs. The truncated many-body basis configurations for each molecule are constructed from antisymmetrized products of single-particle states, where the electron occupies only one ground state level in single QD and the hole can occupy two lowest levels of CQD system. The Coulomb interaction between particles is treated with perturbation theory. As a result the observed PL spectral lines can be described with a small number of parameters. The theoretical predictions account well for recent experiments.

Swords to Plowshares: California State University, Monterey Bay

ERIC Educational Resources Information Center

De Noriega, Diane Cordero; Gonzales, Gilbert

2004-01-01

Today, California State University, Monterey Bay (CSUMB)--founded in 1994 as the 21st campus of what is now the 23-campus California State University System (CSU)--occupies approximately 1,300 acres of the former Fort Ord Army base. The initial CSUMB master plan called for a large, sprawling campus footprint. Academic buildings would have been…

Exploration of the Energy Landscape of Acetylcholinesterase by Molecular Dynamics Simulation.

NASA Astrophysics Data System (ADS)

McCammon, J. Andrew

2002-03-01

Proteins have rough energy landscapes. Often more states than just the ground state are occupied and have biological functions. It is essential to study these conformational substates and the dynamical transitions among them. Acetylcholinesterase (AChE) is an important enzyme that has biological functions including the termination of synaptic transmission signals. X-ray structures show that it has an active site that is accessible only via a long and narrow channel from its surface. Therefore the fact that acetylcholine and larger ligands can reach the active site is believed to reflect the protein's structural fluctuation. We carried out long molecular dynamics simulations to investigate the dynamics of AChE and its relation to biological function, and compared our results with experiments. The results reveal several "doors" that open intermittantly between the active site and the surface. Instead of having simple exponential decay correlation functions, the time series of these channels reveal complex, fractal gating between conformations. We also compared the AChE dynamics data with those from an AchE-fasciculin complex. (Fasciculin is a small protein that is a natural inhibitor of AChE.) The results show remarkable effects of the protein-protein interaction, including allosteric and dynamical inhibition by fasciculin besides direct steric blocking. More information and images can be found at http://mccammon.ucsd.edu

Theory versus experiment for a family of single-layer compounds with a similar atomic arrangement: (Tl,X )/Si(111 )√{3 }×√{3 }(X =Pb,Sn,Bi,Sb,Te,Se)

NASA Astrophysics Data System (ADS)

Matetskiy, A. V.; Kibirev, I. A.; Mihalyuk, A. N.; Eremeev, S. V.; Gruznev, D. V.; Bondarenko, L. V.; Tupchaya, A. Y.; Zotov, A. V.; Saranin, A. A.

2017-08-01

Two-dimensional compounds made of one monolayer of Tl and one-third monolayer of Pb, Bi, Te, or Se (but not of Sn or Sb) on Si(111) have been found to have a similar atomic arrangement which can be visualized as a √{3 }×√{3 } -periodic honeycomb network of chained Tl trimers with atoms of the second adsorbate occupying the centers of the honeycomb units. Structural and electronic properties of the compounds have been examined in detail theoretically using density functional theory (DFT) calculations and experimentally using low-energy electron diffraction (LEED), scanning tunneling microscopy (STM), and angle-resolved photoelectron spectroscopy (ARPES) observations. It has been found that though structural parameters of the compounds are very similar for all species, the only common feature of their band structure is a considerable spin-splitting of the surface-state bands, while other basic electronic properties vary greatly with a change of species. The Tl-Pb compound is strongly metallic with two metallic surface-state bands; the Tl-Bi compound is also metallic but with a single metallic band; the Tl-Te and Tl-Se compounds appear to be insulators.

Hysteresis, reentrance, and glassy dynamics in systems of self-propelled rods

NASA Astrophysics Data System (ADS)

Kuan, Hui-Shun; Blackwell, Robert; Hough, Loren E.; Glaser, Matthew A.; Betterton, M. D.

2015-12-01

Nonequilibrium active matter made up of self-driven particles with short-range repulsive interactions is a useful minimal system to study active matter as the system exhibits collective motion and nonequilibrium order-disorder transitions. We studied high-aspect-ratio self-propelled rods over a wide range of packing fractions and driving to determine the nonequilibrium state diagram and dynamic properties. Flocking and nematic-laning states occupy much of the parameter space. In the flocking state, the average internal pressure is high and structural and mechanical relaxation times are long, suggesting that rods in flocks are in a translating glassy state despite overall flock motion. In contrast, the nematic-laning state shows fluidlike behavior. The flocking state occupies regions of the state diagram at both low and high packing fraction separated by nematic-laning at low driving and a history-dependent region at higher driving; the nematic-laning state transitions to the flocking state for both compression and expansion. We propose that the laning-flocking transitions are a type of glass transition that, in contrast to other glass-forming systems, can show fluidization as density increases. The fluid internal dynamics and ballistic transport of the nematic-laning state may promote collective dynamics of rod-shaped micro-organisms.

Hysteresis, reentrance, and glassy dynamics in systems of self-propelled rods.

PubMed

Kuan, Hui-Shun; Blackwell, Robert; Hough, Loren E; Glaser, Matthew A; Betterton, M D

2015-01-01

Nonequilibrium active matter made up of self-driven particles with short-range repulsive interactions is a useful minimal system to study active matter as the system exhibits collective motion and nonequilibrium order-disorder transitions. We studied high-aspect-ratio self-propelled rods over a wide range of packing fractions and driving to determine the nonequilibrium state diagram and dynamic properties. Flocking and nematic-laning states occupy much of the parameter space. In the flocking state, the average internal pressure is high and structural and mechanical relaxation times are long, suggesting that rods in flocks are in a translating glassy state despite overall flock motion. In contrast, the nematic-laning state shows fluidlike behavior. The flocking state occupies regions of the state diagram at both low and high packing fraction separated by nematic-laning at low driving and a history-dependent region at higher driving; the nematic-laning state transitions to the flocking state for both compression and expansion. We propose that the laning-flocking transitions are a type of glass transition that, in contrast to other glass-forming systems, can show fluidization as density increases. The fluid internal dynamics and ballistic transport of the nematic-laning state may promote collective dynamics of rod-shaped micro-organisms.

Exploring sensitivity of a multistate occupancy model to inform management decisions

USGS Publications Warehouse

Green, A.W.; Bailey, L.L.; Nichols, J.D.

2011-01-01

Dynamic occupancy models are often used to investigate questions regarding the processes that influence patch occupancy and are prominent in the fields of population and community ecology and conservation biology. Recently, multistate occupancy models have been developed to investigate dynamic systems involving more than one occupied state, including reproductive states, relative abundance states and joint habitat-occupancy states. Here we investigate the sensitivities of the equilibrium-state distribution of multistate occupancy models to changes in transition rates. We develop equilibrium occupancy expressions and their associated sensitivity metrics for dynamic multistate occupancy models. To illustrate our approach, we use two examples that represent common multistate occupancy systems. The first example involves a three-state dynamic model involving occupied states with and without successful reproduction (California spotted owl Strix occidentalis occidentalis), and the second involves a novel way of using a multistate occupancy approach to accommodate second-order Markov processes (wood frog Lithobates sylvatica breeding and metamorphosis). In many ways, multistate sensitivity metrics behave in similar ways as standard occupancy sensitivities. When equilibrium occupancy rates are low, sensitivity to parameters related to colonisation is high, while sensitivity to persistence parameters is greater when equilibrium occupancy rates are high. Sensitivities can also provide guidance for managers when estimates of transition probabilities are not available. Synthesis and applications. Multistate models provide practitioners a flexible framework to define multiple, distinct occupied states and the ability to choose which state, or combination of states, is most relevant to questions and decisions about their own systems. In addition to standard multistate occupancy models, we provide an example of how a second-order Markov process can be modified to fit a multistate framework. Assuming the system is near equilibrium, our sensitivity analyses illustrate how to investigate the sensitivity of the system-specific equilibrium state(s) to changes in transition rates. Because management will typically act on these transition rates, sensitivity analyses can provide valuable information about the potential influence of different actions and when it may be prudent to shift the focus of management among the various transition rates. ?? 2011 The Authors. Journal of Applied Ecology ?? 2011 British Ecological Society.

Dependence of Excited State Potential Energy Surfaces on the Spatial Overlap of the Kohn-Sham Orbitals and the Amount of Nonlocal Hartree-Fock Exchange in Time-Dependent Density Functional Theory.

PubMed

Plötner, Jürgen; Tozer, David J; Dreuw, Andreas

2010-08-10

Time-dependent density functional theory (TDDFT) with standard GGA or hybrid exchange-correlation functionals is not capable of describing the potential energy surface of the S1 state of Pigment Yellow 101 correctly; an additional local minimum is observed at a twisted geometry with substantial charge transfer (CT) character. To investigate the influence of nonlocal exact orbital (Hartree-Fock) exchange on the shape of the potential energy surface of the S1 state in detail, it has been computed along the twisting coordinate employing the standard BP86, B3LYP, and BHLYP xc-functionals as well as the long-range separated (LRS) exchange-correlation (xc)-functionals LC-BOP, ωB97X, ωPBE, and CAM-B3LYP and compared to RI-CC2 benchmark results. Additionally, a recently suggested Λ-parameter has been employed that measures the amount of CT in an excited state by calculating the spatial overlap of the occupied and virtual molecular orbitals involved in the transition. Here, the error in the calculated S1 potential energy curves at BP86, B3LYP, and BHLYP can be clearly related to the Λ-parameter, i.e., to the extent of charge transfer. Additionally, it is demonstrated that the CT problem is largely alleviated when the BHLYP xc-functional is employed, although it still exhibits a weak tendency to underestimate the energy of CT states. The situation improves drastically when LRS-functionals are employed within TDDFT excited state calculations. All tested LRS-functionals give qualitatively the correct potential energy curves of the energetically lowest excited states of P. Y. 101 along the twisting coordinate. While LC-BOP and ωB97X overcorrect the CT problem and now tend to give too large excitation energies compared to other non-CT states, ωPBE and CAM-B3LYP are in excellent agreement with the RI-CC2 results, with respect to both the correct shape of the potential energy curve as well as the absolute values of the calculated excitation energies.

Li0.5Al0.5Mg2(MoO4)3

PubMed Central

Ennajeh, Ines; Zid, Mohamed Faouzi; Driss, Ahmed

2013-01-01

The title compound, lithium/aluminium dimagnesium tetra­kis­[orthomolybdate(VI)], was prepared by a solid-state reaction route. The crystal structure is built up from MgO6 octa­hedra and MoO4 tetra­hedra sharing corners and edges, forming two types of chains running along [100]. These chains are linked into layers parallel to (010) and finally linked by MoO4 tetra­hedra into a three-dimensional framework structure with channels parallel to [001] in which lithium and aluminium cations equally occupy the same position within a distorted trigonal–bipyramidal coordination environment. The title structure is isotypic with LiMgIn(MoO4)3, with the In site becoming an Mg site and the fully occupied Li site a statistically occupied Li/Al site in the title structure. PMID:24426975

Low-lying excited states by constrained DFT

NASA Astrophysics Data System (ADS)

Ramos, Pablo; Pavanello, Michele

2018-04-01

Exploiting the machinery of Constrained Density Functional Theory (CDFT), we propose a variational method for calculating low-lying excited states of molecular systems. We dub this method eXcited CDFT (XCDFT). Excited states are obtained by self-consistently constraining a user-defined population of electrons, Nc, in the virtual space of a reference set of occupied orbitals. By imposing this population to be Nc = 1.0, we computed the first excited state of 15 molecules from a test set. Our results show that XCDFT achieves an accuracy in the predicted excitation energy only slightly worse than linear-response time-dependent DFT (TDDFT), but without incurring into problems of variational collapse typical of the more commonly adopted ΔSCF method. In addition, we selected a few challenging processes to test the limits of applicability of XCDFT. We find that in contrast to TDDFT, XCDFT is capable of reproducing energy surfaces featuring conical intersections (azobenzene and H3) with correct topology and correct overall energetics also away from the intersection. Venturing to condensed-phase systems, XCDFT reproduces the TDDFT solvatochromic shift of benzaldehyde when it is embedded by a cluster of water molecules. Thus, we find XCDFT to be a competitive method among single-reference methods for computations of excited states in terms of time to solution, rate of convergence, and accuracy of the result.

A simplified method for assessing particle deposition rate in aircraft cabins

NASA Astrophysics Data System (ADS)

You, Ruoyu; Zhao, Bin

2013-03-01

Particle deposition in aircraft cabins is important for the exposure of passengers to particulate matter, as well as the airborne infectious diseases. In this study, a simplified method is proposed for initial and quick assessment of particle deposition rate in aircraft cabins. The method included: collecting the inclined angle, area, characteristic length, and freestream air velocity for each surface in a cabin; estimating the friction velocity based on the characteristic length and freestream air velocity; modeling the particle deposition velocity using the empirical equation we developed previously; and then calculating the particle deposition rate. The particle deposition rates for the fully-occupied, half-occupied, 1/4-occupied and empty first-class cabin of the MD-82 commercial airliner were estimated. The results show that the occupancy did not significantly influence the particle deposition rate of the cabin. Furthermore, the simplified human model can be used in the assessment with acceptable accuracy. Finally, the comparison results show that the particle deposition rate of aircraft cabins and indoor environments are quite similar.

Human γ-Glutamyl Transpeptidase 1: STRUCTURES OF THE FREE ENZYME, INHIBITOR-BOUND TETRAHEDRAL TRANSITION STATES, AND GLUTAMATE-BOUND ENZYME REVEAL NOVEL MOVEMENT WITHIN THE ACTIVE SITE DURING CATALYSIS.

PubMed

Terzyan, Simon S; Burgett, Anthony W G; Heroux, Annie; Smith, Clyde A; Mooers, Blaine H M; Hanigan, Marie H

2015-07-10

γ-Glutamyl transpeptidase 1 (GGT1) is a cell surface, N-terminal nucleophile hydrolase that cleaves glutathione and other γ-glutamyl compounds. GGT1 expression is essential in cysteine homeostasis, and its induction has been implicated in the pathology of asthma, reperfusion injury, and cancer. In this study, we report four new crystal structures of human GGT1 (hGGT1) that show conformational changes within the active site as the enzyme progresses from the free enzyme to inhibitor-bound tetrahedral transition states and finally to the glutamate-bound structure prior to the release of this final product of the reaction. The structure of the apoenzyme shows flexibility within the active site. The serine-borate-bound hGGT1 crystal structure demonstrates that serine-borate occupies the active site of the enzyme, resulting in an enzyme-inhibitor complex that replicates the enzyme's tetrahedral intermediate/transition state. The structure of GGsTop-bound hGGT1 reveals its interactions with the enzyme and why neutral phosphonate diesters are more potent inhibitors than monoanionic phosphonates. These structures are the first structures for any eukaryotic GGT that include a molecule in the active site covalently bound to the catalytic Thr-381. The glutamate-bound structure shows the conformation of the enzyme prior to release of the final product and reveals novel information regarding the displacement of the main chain atoms that form the oxyanion hole and movement of the lid loop region when the active site is occupied. These data provide new insights into the mechanism of hGGT1-catalyzed reactions and will be invaluable in the development of new classes of hGGT1 inhibitors for therapeutic use. © 2015 by The American Society for Biochemistry and Molecular Biology, Inc.

Human γ-glutamyl transpeptidase 1: Structures of the free enzyme, inhibitor-bound tetrahedral transition states, and glutamate-bound enzyme reveal novel movement within the active site during catalysis [Human gamma-glutamyl transpeptidase: Inhibitor binding and movement within the active site

DOE PAGES

Terzyan, Simon S.; Burgett, Anthony W. G.; Heroux, Annie; ...

2015-05-26

γ-Glutamyl transpeptidase 1 (GGT1) is a cell surface, N-terminal nucleophile hydrolase that cleaves glutathione and other γ-glutamyl compounds. GGT1 expression is essential in cysteine homeostasis, and its induction has been implicated in the pathology of asthma, reperfusion injury, and cancer. In this study, we report four new crystal structures of human GGT1 (hGGT1) that show conformational changes within the active site as the enzyme progresses from the free enzyme to inhibitor-bound tetrahedral transition states and finally to the glutamate-bound structure prior to the release of this final product of the reaction. The structure of the apoenzyme shows flexibility within themore » active site. The serine-borate-bound hGGT1 crystal structure demonstrates that serine-borate occupies the active site of the enzyme, resulting in an enzyme-inhibitor complex that replicates the enzyme's tetrahedral intermediate/transition state. The structure of GGsTop-bound hGGT1 reveals its interactions with the enzyme and why neutral phosphonate diesters are more potent inhibitors than monoanionic phosphonates. These structures are the first structures for any eukaryotic GGT that include a molecule in the active site covalently bound to the catalytic Thr-381. The glutamate-bound structure shows the conformation of the enzyme prior to release of the final product and reveals novel information regarding the displacement of the main chain atoms that form the oxyanion hole and movement of the lid loop region when the active site is occupied. Lastly,tThese data provide new insights into the mechanism of hGGT1-catalyzed reactions and will be invaluable in the development of new classes of hGGT1 inhibitors for therapeutic use.« less

Human γ-glutamyl transpeptidase 1: Structures of the free enzyme, inhibitor-bound tetrahedral transition states, and glutamate-bound enzyme reveal novel movement within the active site during catalysis [Human gamma-glutamyl transpeptidase: Inhibitor binding and movement within the active site

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

Terzyan, Simon S.; Burgett, Anthony W. G.; Heroux, Annie

γ-Glutamyl transpeptidase 1 (GGT1) is a cell surface, N-terminal nucleophile hydrolase that cleaves glutathione and other γ-glutamyl compounds. GGT1 expression is essential in cysteine homeostasis, and its induction has been implicated in the pathology of asthma, reperfusion injury, and cancer. In this study, we report four new crystal structures of human GGT1 (hGGT1) that show conformational changes within the active site as the enzyme progresses from the free enzyme to inhibitor-bound tetrahedral transition states and finally to the glutamate-bound structure prior to the release of this final product of the reaction. The structure of the apoenzyme shows flexibility within themore » active site. The serine-borate-bound hGGT1 crystal structure demonstrates that serine-borate occupies the active site of the enzyme, resulting in an enzyme-inhibitor complex that replicates the enzyme's tetrahedral intermediate/transition state. The structure of GGsTop-bound hGGT1 reveals its interactions with the enzyme and why neutral phosphonate diesters are more potent inhibitors than monoanionic phosphonates. These structures are the first structures for any eukaryotic GGT that include a molecule in the active site covalently bound to the catalytic Thr-381. The glutamate-bound structure shows the conformation of the enzyme prior to release of the final product and reveals novel information regarding the displacement of the main chain atoms that form the oxyanion hole and movement of the lid loop region when the active site is occupied. Lastly,tThese data provide new insights into the mechanism of hGGT1-catalyzed reactions and will be invaluable in the development of new classes of hGGT1 inhibitors for therapeutic use.« less

Charge transport and ac response under light illumination in gate-modulated DNA molecular junctions.

PubMed

Zhang, Yan; Zhu, Wen-Huan; Ding, Guo-Hui; Dong, Bing; Wang, Xue-Feng

2015-05-22

Using a two-strand tight-binding model and within nonequilibrium Green's function approach, we study charge transport through DNA sequences (GC)NGC and (GC)1(TA)NTA (GC)3 sandwiched between two Pt electrodes. We show that at low temperature DNA sequence (GC)NGC exhibits coherent charge carrier transport at very small bias, since the highest occupied molecular orbital in the GC base pair can be aligned with the Fermi energy of the metallic electrodes by a gate voltage. A weak distance dependent conductance is found in DNA sequence (GC)1(TA)NTA (GC)3 with large NTA. Different from the mechanism of thermally induced hopping of charges proposed by the previous experiments, we find that this phenomenon is dominated by quantum tunnelling through discrete quantum well states in the TA base pairs. In addition, ac response of this DNA junction under light illumination is also investigated. The suppression of ac conductances of the left and right lead of DNA sequences at some particular frequencies is attributed to the excitation of electrons in the DNA to the lead Fermi surface by ac potential, or the excitation of electrons in deep DNA energy levels to partially occupied energy levels in the transport window. Therefore, measuring ac response of DNA junctions can reveal a wealth of information about the intrinsic dynamics of DNA molecules.

Sludge fertilization of State Forest land in northern Michigan

Treesearch

D.G. Brockway

1991-01-01

A five-year research-demonstration project to examine the logistic, economic, environmental and sociological aspects of municipal wastewater sludge application was conducted on State Forest land occupied by forest types of major commercial importance in northern Michigan. The procedures utilized for site preparation, sludge transportation and sludge application proved...

Do School Districts Matter?

ERIC Educational Resources Information Center

Whitehurst, Grover J.; Chingos, Matthew M.; Gallaher, Michael R.

2013-01-01

School districts occupy center stage in education reform in the U.S. They manage nearly all public funding and are frequently the locus of federal and state reform initiatives, e.g., instituting meaningful teacher evaluation systems. Financial compensation for district leaders is high, with many being paid more than the chief state school officers…

Improved Arousal and Motor Function Using Zolpidem in a Patient With Space-Occupying Intracranial Lesions: A Case Report.

PubMed

Bomalaski, Martin Nicholas; Smith, Sean Robinson

2017-08-01

Patients with disorders of consciousness (DOC) have profound functional limitations with few treatment options for improving arousal and quality of life. Zolpidem is a nonbenzodiazepine hypnotic used to treat insomnia that has also been observed to paradoxically improve arousal in those with DOC, such as the vegetative or minimally conscious states. Little information exists on its use in patients with DOC who have intracranial space-occupying lesions. We present a case of a 24-year-old man in a minimally conscious state due to central nervous system lymphoma who was observed to have increased arousal and improved motor function after the administration of zolpidem. V. Copyright © 2017 American Academy of Physical Medicine and Rehabilitation. Published by Elsevier Inc. All rights reserved.

[Adsorption of heavy metals on the surface of birnessite relationship with its Mn average oxidation state and adsorption sites].

PubMed

Wang, Yan; Tan, Wen-Feng; Feng, Xiong-Han; Qiu, Guo-Hong; Liu, Fan

2011-10-01

Adsorption characteristics of mineral surface for heavy metal ions are largely determined by the type and amount of surface adsorption sites. However, the effects of substructure variance in manganese oxide on the adsorption sites and adsorption characteristics remain unclear. Adsorption experiments and powder X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) were combined to examine the adsorption characteristics of Pb2+, Cu2+, Zn2+ and Cd2+ sequestration by birnessites with different Mn average oxidation state (AOS), and the Mn AOS dependent adsorption sites and adsorption characteristics. The results show that the maximum adsorption capacity of Pb2+, Cu2+, Zn2+ and Cd2+ increased with increasing birnessite Mn AOS. The adsorption capacity followed the order of Pb2+ > Cu2+ > Zn2+ > Cd2+. The observations suggest that there exist two sites on the surface of birnessite, i. e., high-binding-energy site (HBE site) and low-binding-energy site (LBE site). With the increase of Mn AOS for birnessites, the amount of HBE sites for heavy metal ions adsorption remarkably increased. On the other hand, variation in the amount of LBE sites was insignificant. The amount of LBE sites is much more than those of HBE sites on the surface of birnessite with low Mn AOS. Nevertheless, both amounts on the surface of birnessite with high Mn AOS are very close to each other. Therefore, the heavy metal ions adsorption capacity on birnessite is largely determined by the amount of HBE sites. On birnessite surface, adsorption of Cu2+, Zn2+, and Cd2+ mostly occurred at HBE sites. In comparison with Zn2+ and Cd2+, more Cu2+ adsorbed on the LBW sites. Pb2+ adsorption maybe occupy at both LBE sites and HBE sites simultaneously.

On the important role of the anti-Jahn-Teller effect in underdoped cuprate superconductors

NASA Astrophysics Data System (ADS)

Kamimura, Hiroshi; Matsuno, Shunichi; Mizokawa, Takashi; Sasaoka, Kenji; Shiraishi, Kenji; Ushio, Hideki

2013-04-01

In this paper it is shown that the "anti-Jahn-Teller effect" plays an essential role in giving rise to a small Fermi surface of Fermi pockets above Tc and d-wave superconductivity below Tc in underdoped cuprates. In the first part of the present paper, we review the latest developments of the model proposed by Kamimura and Suwa, which bears important characteristics born from the interplay of Jahn-Teller Physics and Mott Physics. It is shown that the feature of Fermi surfaces in underdoped LSCO is the Fermi pockets in the nodal region constructed by doped holes under the coexistence of a metallic state and of the local antiferromagnetic order. In the antinodal region in the momentum space, there are no Fermi surfaces. Then it is discussed that the phonon-involved mechanism based on the Kamimura-Suwa model leads to the d-wave superconductivity. In particular, it is shown that the origin of strong electron-phonon interactions in cuprates is due to the anti-Jahn-Teller effect. In the second part a recent theoretical result on the energy distribution curves (EDCs) of angle-resolved photoemission spectroscopy (ARPES) below Tc is discussed. It is shown that the feature of ARPES profiles of underdoped cuprates consists of a coherent peak in the nodal region and the real transitions of photoexcited electrons from occupied states below the Fermi level to a free-electron state above the vacuum level in the antinodal region, where the latter transitions form a broad hump. From this feature, the origin of the two distinct gaps observed by ARPES is elucidated without introducing the concept of the pseudogap. Finally, a remark is made on the phase diagram of underdoped cuprates.

36 CFR 1229.12 - What are the requirements during a state of war or threatened war?

Code of Federal Regulations, 2011 CFR

2011-07-01

... 36 Parks, Forests, and Public Property 3 2011-07-01 2011-07-01 false What are the requirements during a state of war or threatened war? 1229.12 Section 1229.12 Parks, Forests, and Public Property... the interest of the United States, or that they occupy space urgently needed for military purposes and...

Surface Biology of DNA by Atomic Force Microscopy

NASA Astrophysics Data System (ADS)

Hansma, Helen G.

2001-10-01

The atomic force microscope operates on surfaces. Since surfaces occupy much of the space in living organisms, surface biology is a valid and valuable form of biology that has been difficult to investigate in the past owing to a lack of good technology. Atomic force microscopy (AFM) of DNA has been used to investigate DNA condensation for gene therapy, DNA mapping and sizing, and a few applications to cancer research and to nanotechnology. Some of the most exciting new applications for atomic force microscopy of DNA involve pulling on single DNA molecules to obtain measurements of single-molecule mechanics and thermodynamics.

Reaction of Si(100) with NH3: Rate-limiting steps and reactivity enhancement via electronic excitation

NASA Astrophysics Data System (ADS)

Bozso, F.; Avouris, Ph.

1986-09-01

We report on the low-temperature reaction of ammonia with Si(100)-(2×1). The dangling bonds in the clean Si surface promote NH3 dissociation even at temperatures as low as 90 K. The N atoms thus produced occupy subsurface sites, while the H atoms bind to surface Si atoms, tie up the dangling bonds, and inactivate the surface. Thermal or electronic-excitation-induced hydrogen desorption restores the dangling bonds and the reactivity of the surface. Silicon nitride film growth is achieved at 90 K by simultaneous exposure of the Si surface to NH3 and an electron beam.

Rogue America: Benevolent Hegemon or Occupying Tyrant?

DTIC Science & Technology

2008-05-01

Johnson, The Sorrows of Empire (New York: Metropolitan Books), 3. 5 Noam Chomsky , Rogue States (Cambridge: South End Press, 2000), 4. 6 For more on...convenience in making their argument. Focusing his attention on the United States, linguistics professor Noam Chomsky limits his rogue state definition to...14. 39 Noam Chomsky , “Rogue States Draw the Usual Line,” The Noam Chomsky Website, May 2001, http://www.chomsky.info/interviews/200105--.htm

Energy balance in the watershed of Ipê, Northwestern São Paulo State, Brazil

NASA Astrophysics Data System (ADS)

Feitosa, Diego G.; T. Hernandez, Fernando B.; Franco, Renato A. M.; Teixeira, Antonio H. C.; Neale, Christopher M.

2016-10-01

The region of Ilha Solteira, in the Northwestern of São Paulo State, has been undergoing significant changes in agricultural land use and cover since 2006, as pasture fields have been replaced by sugarcane crop. This drastic change can lead to a disturbance in the energy balance, affecting the local climate. The aim of this paper was to assess some parameters related to the energy balance of Ipê's watershed, that changed since no sugarcane cultivation in 2006 to 2,164 hectares in 2011, occupying 31% of the catchment area with this important energy crop for the economy and the environment of Brazil. This study was carried out using remote sensing combined with weather data and using the SAFER (Simple Algorithm for Retrieving Evapotranspiration) model applied in 9 Landsat images collected between 2003 and 2011. The results showed a wide variation between the components of energy balance and when considering only the sugarcane crop were verified the increase values of ETa (Actual Evapotranspiration), H/Rn (Sensible Heat Flux/Net Radiation), TS (Surface Temperature), Rl↑ (Emitted longwave), Rl↓ (Incidente longwave) and surface albedo after the sugarcane production over these years. On the other hand, the NDVI, λE/Rn (Latent Heat Flux/Net Radiation) and Rn values (data) decreased in the same period. Also there was satisfactory correlation between NDVI and ETa. The SAFER model showed satisfactory results for studies of energy balance applied in the Northwestern of São Paulo State.

Electric Double-Layer Structure in Primitive Model Electrolytes. Comparing Molecular Dynamics with Local-Density Approximations

DOE PAGES

Giera, Brian; Lawrence Livermore National Lab.; Henson, Neil; ...

2015-02-27

We evaluate the accuracy of local-density approximations (LDAs) using explicit molecular dynamics simulations of binary electrolytes comprised of equisized ions in an implicit solvent. The Bikerman LDA, which considers ions to occupy a lattice, poorly captures excluded volume interactions between primitive model ions. Instead, LDAs based on the Carnahan–Starling (CS) hard-sphere equation of state capture simulated values of ideal and excess chemical potential profiles extremely well, as is the relationship between surface charge density and electrostatic potential. Excellent agreement between the EDL capacitances predicted by CS-LDAs and computed in molecular simulations is found even in systems where ion correlations drivemore » strong density and free charge oscillations within the EDL, despite the inability of LDAs to capture the oscillations in the detailed EDL profiles.« less

Evaluation of osprey habitat suitability and interaction with contaminant exposure

USGS Publications Warehouse

Toschik, P.C.; Christman, M.C.; Rattner, B.A.; Ottinger, M.A.

2006-01-01

Ospreys (Pandion haliaetus) have been the focus of conservation efforts since their dramatic population decline attributed to dichlorodiphenyltrichloroethane and related chemicals in the 1960s. Several recent studies of ospreys nesting in the United States have indicated improved reproduction. However, the density of breeding ospreys varies greatly among locations, with some areas seemingly habitable but not occupied. Because of concerns about pollution in the highly industrialized portions of the Delaware River and Bay, USA, we evaluated contaminant exposure and productivity in ospreys nesting on the Delaware River and Bay in 2002. We characterized habitat in the coastal zone of Delaware, USA, and the area around the river in Pennsylvania, USA, using data we collected as well as extant information provided by state and federal sources. We characterized habitat based on locations of occupied osprey nests in Delaware and Pennsylvania. We evaluated water clarity, water depth, land use and land cover, nest availability, and contaminants in sediment for use in a nest-occupancy model. Our results demonstrated that the presence of occupied nests was associated with water depth, water clarity, distance to an occupied osprey nest, and presence of urban land use, whereas a companion study demonstrated that hatching success was associated with the principal components derived from organochlorine-contaminant concentrations in osprey eggs (total polychlorinated biphenyls, p,p'-dichlorodiphenylethylene, chlordane and metabolites, and heptachlor epoxide). Our study provides guidelines for resource managers and local conservation organizations in management of ospreys and in development of habitat models that are appropriate for other piscivorous and marsh-nesting birds.

Primary Ischial Osteosarcoma Occupying the Pelvic Cavity in a Japanese Black Cow

PubMed Central

NAGAMINE, Eiji; MATSUDA, Kazuya; ISHII, Chiaki; KOIWA, Masateru; TANIYAMA, Hiroyuki

2014-01-01

ABSTRACT A 10-year-old Japanese Black cow presented with a swelling of the right femur, and a hard, large mass occupied the pelvic cavity. The mass strongly adhered to the visceral surface of the ischium and had posteriorly invaded among the right femoral muscles. Histologically, the mass was composed of neoplastic osteoblasts and exhibited osteoid and immature trabecular bone production. In the region where the mass adhered to the ischium, neoplastic cells were continuously proliferating into the medullary cavity. Tumor emboli were observed in the small vessels of the femoral muscles and lungs. Based on these findings, the mass was diagnosed as an osteosarcoma and considered to have arisen from the ischium. PMID:24492314

CuPc/Au(1 1 0): Determination of the azimuthal alignment by a combination of angle-resolved photoemission and density functional theory

PubMed Central

Lüftner, Daniel; Milko, Matus; Huppmann, Sophia; Scholz, Markus; Ngyuen, Nam; Wießner, Michael; Schöll, Achim; Reinert, Friedrich; Puschnig, Peter

2014-01-01

Here we report on a combined experimental and theoretical study on the structural and electronic properties of a monolayer of Copper-Phthalocyanine (CuPc) on the Au(1 1 0) surface. Low-energy electron diffraction reveals a commensurate overlayer unit cell containing one adsorbate species. The azimuthal alignment of the CuPc molecule is revealed by comparing experimental constant binding energy (kxky)-maps using angle-resolved photoelectron spectroscopy with theoretical momentum maps of the free molecule's highest occupied molecular orbital (HOMO). This structural information is confirmed by total energy calculations within the framework of van-der-Waals corrected density functional theory. The electronic structure is further analyzed by computing the molecule-projected density of states, using both a semi-local and a hybrid exchange-correlation functional. In agreement with experiment, the HOMO is located about 1.2 eV below the Fermi-level, while there is no significant charge transfer into the molecule and the CuPc LUMO remains unoccupied on the Au(1 1 0) surface. PMID:25284953

Principles of regulatory information conservation between mouse and human.

PubMed

Cheng, Yong; Ma, Zhihai; Kim, Bong-Hyun; Wu, Weisheng; Cayting, Philip; Boyle, Alan P; Sundaram, Vasavi; Xing, Xiaoyun; Dogan, Nergiz; Li, Jingjing; Euskirchen, Ghia; Lin, Shin; Lin, Yiing; Visel, Axel; Kawli, Trupti; Yang, Xinqiong; Patacsil, Dorrelyn; Keller, Cheryl A; Giardine, Belinda; Kundaje, Anshul; Wang, Ting; Pennacchio, Len A; Weng, Zhiping; Hardison, Ross C; Snyder, Michael P

2014-11-20

To broaden our understanding of the evolution of gene regulation mechanisms, we generated occupancy profiles for 34 orthologous transcription factors (TFs) in human-mouse erythroid progenitor, lymphoblast and embryonic stem-cell lines. By combining the genome-wide transcription factor occupancy repertoires, associated epigenetic signals, and co-association patterns, here we deduce several evolutionary principles of gene regulatory features operating since the mouse and human lineages diverged. The genomic distribution profiles, primary binding motifs, chromatin states, and DNA methylation preferences are well conserved for TF-occupied sequences. However, the extent to which orthologous DNA segments are bound by orthologous TFs varies both among TFs and with genomic location: binding at promoters is more highly conserved than binding at distal elements. Notably, occupancy-conserved TF-occupied sequences tend to be pleiotropic; they function in several tissues and also co-associate with many TFs. Single nucleotide variants at sites with potential regulatory functions are enriched in occupancy-conserved TF-occupied sequences.

Multi-path variational transition state theory for chemical reaction rates of complex polyatomic species: ethanol + OH reactions.

PubMed

Zheng, Jingjing; Truhlar, Donald G

2012-01-01

Complex molecules often have many structures (conformations) of the reactants and the transition states, and these structures may be connected by coupled-mode torsions and pseudorotations; some but not all structures may have hydrogen bonds in the transition state or reagents. A quantitative theory of the reaction rates of complex molecules must take account of these structures, their coupled-mode nature, their qualitatively different character, and the possibility of merging reaction paths at high temperature. We have recently developed a coupled-mode theory called multi-structural variational transition state theory (MS-VTST) and an extension, called multi-path variational transition state theory (MP-VTST), that includes a treatment of the differences in the multi-dimensional tunneling paths and their contributions to the reaction rate. The MP-VTST method was presented for unimolecular reactions in the original paper and has now been extended to bimolecular reactions. The MS-VTST and MP-VTST formulations of variational transition state theory include multi-faceted configuration-space dividing surfaces to define the variational transition state. They occupy an intermediate position between single-conformation variational transition state theory (VTST), which has been used successfully for small molecules, and ensemble-averaged variational transition state theory (EA-VTST), which has been used successfully for enzyme kinetics. The theories are illustrated and compared here by application to three thermal rate constants for reactions of ethanol with hydroxyl radical--reactions with 4, 6, and 14 saddle points.

Quantum-Chemical ab initio Calculations on the Three Isomers of Diborabenzene (C4H4B2)

NASA Astrophysics Data System (ADS)

Singh, Jaswinder; Wang, Yuekui; Raabe, Gerhard

2010-01-01

Quantum-chemical ab initio calculations up to the ZPE+CCSD(T)/aug-cc-pVTZ//MP2/6- 311++G** level were performed on three possible structural isomers of diborabenzene (C4H4B2). All three molecules were found to be local minima on the C4H4B2 energy surface and to have closed shell singlet ground states. While the ground states of the 1,3- and 1,4-isomer are planar and of C2v and D2h symmetry, respectively, 1,2-diborabenzene is non-planar with a C2 axis passing through the center of the BB bond and the middle of the opposite carbon-carbon bond as the only symmetry element. The energetically most favourable 1,3-diborabenzene was found to be about 19 and 36 kcal/mol lower in energy than the 1,2- and the 1,4-isomer. Planar 1,3- and 1,4-diborabenzene have three doubly occupied π orbitals while non-planar 1,2-diborabenzene has also three doubly occupied orbitals which can be derived from the π orbitals of its 3.7 kcal/mol energetically less favourable planar form ("π-like" orbitals). The lowest unoccupied orbitals of all three isomers have σ symmetry with large coefficients at the two boron atoms. These orbitals are lower in energy than the lowest unoccupied molecular orbitals (LUMOs) of e. g. benzene and pyridine and might cause pronounced acceptor properties which could be one of the reasons for the elusiveness of the title compounds. The results of bond separation reactions show that cyclic conjugation stabilizes all three diborabenzenes relative to their isolated fragments. The most effective stabilization energy of about 24 kcal/mol was found for the energetically lowest 1,3-isomer. This value amounts to approximately one third of the experimental value for the bond separation energy of pyridine. In all cases the energetically lowest triplet states are significantly (16 - 24 kcal/mol) higher in energy than the singlet ground states. Also among the triplets the 1,3-isomer is the energetically most fabourable species.

Assaultive Behavior in State Psychiatric Hospitals: Differences Between Forensic and Nonforensic Patients

ERIC Educational Resources Information Center

Linhorst, Donald M.; Scott, Lisa Parker

2004-01-01

Forensic patients are occupying an increasingly large number of beds in state psychiatric hospitals. The presence of these mentally ill offenders has raised concerns about the risk they present to nonforensic patients. This study compared the rate of assaults and factors associated with assaultive behavior among 308 nonforensic patients and two…

A Dramatic Increase in Seismic Observations in the Central and Eastern US

NASA Astrophysics Data System (ADS)

Woodward, R.; Busby, R.; Simpson, D.; Alvarez, M.; Vernon, F.

2009-05-01

The USArray Transportable Array (TA) is a network of 400 seismograph stations that is systematically moving west-to-east across the contiguous United States. The TA is part of the National Science Foundation's multi- disciplinary EarthScope program. The TA has already occupied over 700 stations in the western US, and is continuing its multi-year migration towards the Atlantic coast before heading for Alaska. The stations use a grid-like deployment with 70 km separation between stations. At any given time there are approximately 400 stations operational, occupying a nominal 800 km by 2000 km "footprint." Each station is operated for two years. TA stations consist of three component broadband seismometers, with a few sites in the westernmost United States also including three component strong motion instruments. The instruments are installed about two meters below the surface, in thermally stable vaults. All stations transmit continuous data in near-real-time, and the data are freely distributed through the IRIS Data Management Center. TA stations can be upgraded to incorporate high frequency or strong motion instrument. Organizations can also "adopt" stations after installation by reimbursing the cost of the hardware, so that the stations become permanent. The TA is presently operating in the swath of the country extending from Texas to Montana. From 2010 to 2013 the TA will occupy ~800 sites in the central and eastern US. The array will be centered on the New Madrid, MO region during the bicentennial of the 1811-1812 earthquakes. During the TA deployment every existing or planned nuclear plant in the eastern US will be within 70 km of at least four new seismic stations. Thus, this station deployment in the eastern half of the US presents an unprecedented opportunity for improving source characterization, modeling the regional velocity and attenuation structure, and mapping seismic zones down to low magnitude thresholds. We will provide an overview of TA installation plans, instrumentation, and data so that scientists and decision makers are better prepared to capitalize on the unique opportunity presented by the TA moving through the central and eastern US. We will provide examples of TA station performance, as well as examples of data quality and seismic detection thresholds observed in the western US.

Spin Multiphoton Antiresonance at Finite Temperatures

NASA Astrophysics Data System (ADS)

Hicke, Christian; Dykman, Mark

2007-03-01

Weakly anisotropic S>1 spin systems display multiphoton antiresonance. It occurs when an Nth overtone of the radiation frequency coincides with the distance between the ground and the Nth excited energy level (divided by ). The coherent response of the spin displays a sharp minimum or maximum as a function of frequency, depending on which state was initially occupied. We find the spectral shape of the response dips/peaks. We also study the stationary response for zero and finite temperatures. The response changes dramatically with increasing temperature, when excited states become occupied even in the absence of radiation. The change is due primarily to the increasing role of single-photon resonances between excited states, which occur at the same frequencies as multiphoton resonances. Single-photon resonances are broad, because the single-photon Rabi frequencies largely exceed the multi-photon ones. This allows us to separate different resonances and to study their spectral shape. We also study the change of the spectrum due to relaxational broadening of the peaks, with account taken of both decay and phase modulation.

7 CFR 1427.1 - Applicability.

Code of Federal Regulations, 2010 CFR

2010-01-01

... of upland cotton and extra long staple cotton. Rules codified in this part which are issued after... land owned or otherwise in the possession of the United States if such land is occupied without the...

Recurrence of Mexican long-tongued bats (Choeronycteris mexicana) at historical sites in Arizona and New Mexico

USGS Publications Warehouse

Cryan, P.M.; Bogan, M.A.

2003-01-01

The Mexican long-tongued bat (Choeronycteris mexicana) is a nectar-eating species that seasonally inhabits the southwestern United States. Since 1906, fewer than 1500 individuals of C. mexicana have been documented throughout the range of the species. We conducted a field survey in Arizona and New Mexico during summer 1999 to check historically occupied areas for recurrence of C. mexicana. We observed C. mexicana occupying a majority (75%, n = 18) of visited sites. Multiple individuals were observed at many sites, including young-of-year. Choeronycteris mexicana roosted in lighted areas close to entrances within mine adits, abandoned buildings, wide rock crevices, and caves. All occupied sites were in Madrean evergreen woodlands or semidesert grasslands where species of Agave were present. Most sites were located near a water source and, with the exception of a single site, near areas of riparian vegetation. Sites at which we did not encounter C. mexicana were frequently disturbed, difficult to search, or historically occupied by single individuals. Based on the relatively high rate of bat recurrence, we do not believe that populations of C. mexicana in the region have declined dramatically over the past several decades.

Hydrographic Conditions in the Gulf of Carpentaria During Australian Monsoon Experiment

NASA Astrophysics Data System (ADS)

Inoue, M.; Steinberg, C.; Wolanski, E.; Ridd, P.

2002-12-01

Gulf of Carpentaria located in the northern Australia, is a shallow wide basin with the deepest bottom depths of approximately 60 m. It is connected to Arafura Sea to the north and west, and to the Torres Strait to the east. Hydrographic surveys of the Gulf of Carpentaria were carried out in January and March, 1987 as part of Australian Monsoon Experiment. During the January survey, Tropical Cyclone (TC) Irma was formed in the Gulf of Carpentaria. An east-west CTD section at 13o52'S was occupied twice, one prior to and during, and the other after the formation of TC Irma. In addition, two post-Irma east-west sections were occupied at 12o40'S and 11o30'S. The pre-cyclone section indicates a well-defined stratified two-layer system, while the post-cyclone sections show deepening of the surface warm layer due to significant mixing by TC Irma. Overall, significant cooling of near surface warm water on the order of more than 1oC was observed. Significant heat loss estimated for the water column has presumably contributed toward the development of TC Irma. In February 1987, TC Jason was formed in the gulf. During the March survey, two east-west CTD sections were occupied at 11o30'S and 13o52'S. The March survey reveals notable warming of the bottom water. Detailed discussion of the CTD data from the two cruises will be presented.

Non-adiabatic behavior in the homolytic and heterolytic bond dissociation of protonated hydrazine: A guided ion beam and theoretical investigation

NASA Astrophysics Data System (ADS)

McNary, Christopher P.; Armentrout, P. B.

2017-09-01

Threshold collision-induced dissociation using a guided ion beam tandem mass spectrometer was performed on protonated hydrazine and its perdeuterated variant. The dominant dissociation pathways observed were endothermic homolytic and heterolytic cleavages of the N-N bond. The data were analyzed using a statistical model after accounting for internal and kinetic energy distributions, multiple collisions, and kinetic shifts to obtain 0 K bond dissociation energies. Comparison with literature thermochemistry demonstrates that both channels behave non-adiabatically. Heterolytic bond cleavage yields NH2+ + NH3 products, but the NH2+ fragment is in the spin-restricted excited 1A1 state and not in the spin-forbidden ground 3B1 state, whereas homolytic bond cleavage leads to dissociation to the NH3+ + NH2 product asymptote with NH2 in its excited 2A1 state rather than the energetically favored 2B1 state. The rationale for the non-adiabatic behavior observed in the homolytic bond cleavage is revealed by detailed theoretical calculations of the relevant potential energy surfaces and the relevant occupied valence molecular orbitals. These calculations suggest that the non-adiabatic behavior results from conservation of the σ and π character of the binding and lone pair electrons on the nitrogen atoms.

Habitat use by Swainson's Warblers in a managed bottomland forest

USGS Publications Warehouse

Somershoe, S.G.; Hudman, S.P.; Chandler, C.R.

2003-01-01

The Swainson's Warbler (Limnothlypis swainsonii) is a locally distributed and relatively uncommon Neotropical migrant songbird that breeds in the bottomland forests of the southeastern United States and spends the nonbreeding season in the Caribbean Basin. Populations of Swainson's Warblers have declined during recent decades as bottomland forests have come under increasingly intensive management and large areas have been converted to other land uses. We examined the habitat around song perches used by male Swainson's Warblers at Big Hammock Wildlife Management Area, a managed bottomland forest along the Altamaha River in Tattnall County, Georgia. We quantified 20 features of habitat structure in areas occupied by Swainson's Warblers (occupied plots) and two sets of controls: unoccupied plots adjacent to occupied plots (adjacent control plots) and unoccupied plots throughout the management area (general control plots). Occupied plots and adjacent control plots both differed in structure from the general control plots. We detected no significant differences, however, in vegetation structure between occupied plots and adjacent control plots. General control plots tended to have a greater number of trees, greater basal area, and a complete canopy, whereas occupied and adjacent control plots had high densities of small stems, cane, herbaceous ground cover, and leaf litter; this latter pattern is typical of documented Swainson's Warbler breeding habitat. Lack of significant differences in vegetation structure may be due to great variation in habitat structure around song perches, small sample size, or scarcity of Swainson's Warblers. Future research should focus on quantifying habitat characteristics around nest sites, song perches, and feeding areas. Our results suggest that management of bottomland habitats by thinning forests and encouraging regeneration of canebrakes is needed for successful conservation of Swainson's Warblers.

Electronic structure studies of adsorbate-induced surface reconstructions: oxygen on Rh(1 0 0)

NASA Astrophysics Data System (ADS)

Kirsch, Janet E.; Harris, Suzanne

2004-03-01

Solid-state Fenske-Hall band structure calculations have been used to study the electronic structure and bonding that occur on an "asymmetric" clock reconstructed Rh(1 0 0) surface with a half-monolayer of O atom adsorbates. The displacement of the top-layer Rh atoms on reconstructed O/Rh(1 0 0) is similar to that observed when a half-monolayer of C or N atoms adsorb onto clean Ni(1 0 0). Unlike the five-coordinate C or N adsorbates that adsorb into effectively coplanar sites on the Ni(1 0 0) surface, however, O atoms sit well above the Rh surface plane and occupy three-coordinate adsorption sites. The results of these calculations show that the asymmetric clock reconstruction of O/Rh(1 0 0) increases the negative charge localized on the highly electronegative O atoms and strengthens the O-Rh bonding relative to an unreconstructed surface. This suggests that, in contrast to the C(N)/Ni(1 0 0) clock, which appears to be driven primarily by the restoration of metal-metal bonding, the asymmetric O/Rh(1 0 0) clock reconstruction is driven by the optimization of the O atom bonding environment. Comparisons of the O/Rh(1 0 0) and C(N, O)/Ni(1 0 0) surfaces further indicate that the electronegativity and electron count of the adsorbed species, as well as the electron count and physical size of the metal, all play a role in determining the preferred atomic geometries of these adsorbate-covered transition metal surfaces.

Oxygen adsorption onto pure and doped Al surfaces--the role of surface dopants.

PubMed

Lousada, Cláudio M; Korzhavyi, Pavel A

2015-01-21

Using density functional theory (DFT) with the PBE0 density functional we investigated the role of surface dopants in the molecular and dissociative adsorption of O2 onto Al clusters of types Al50, Al50Alad, Al50X and Al49X, where X represents a dopant atom of the following elements Si, Mg, Cu, Sc, Zr, and Ti. Each dopant atom was placed on the Al(111) surface as an adatom or as a substitutional atom, in the last case replacing a surface Al atom. We found that for the same dopant geometry, the closer is the ionization energy of the dopant element to that of elemental Al, the more exothermic is the dissociative adsorption of O2 and the stronger are the bonds between the resulting O atoms and the surface. Additionally we show that the Mulliken concept of electronegativity can be applied in the prediction of the dissociative adsorption energy of O2 on the doped surfaces. The Mulliken modified second-stage electronegativity of the dopant atom is proportional to the exothermicity of the dissociative adsorption of O2. For the same dopant element in an adatom position the dissociation of O2 is more exothermic when compared to the case where the dopant occupies a substitutional position. These observations are discussed in view of the overlap population densities of states (OPDOS) computed as the overlap between the electronic states of the adsorbate O atoms and the clusters. It is shown that a more covalent character in the bonding between the Al surface and the dopant atom causes a more exothermic dissociation of O2 and stronger bonding with the O atoms when compared to a more ionic character in the bonding between the dopant and the Al surface. The extent of the adsorption site reconstruction is dopant atom dependent and is an important parameter for determining the mode of adsorption, adsorption energy and electronic structure of the product of O2 adsorption. The PBE0 functional could predict the existence of the O2 molecular adsorption product for many of the cases investigated here.

49 CFR 175.702 - Separation distance requirements for packages containing Class 7 (radioactive) materials in cargo...

Code of Federal Regulations, 2014 CFR

2014-10-01

... containers and any space occupied by live animals is at least 0.5 m (20 inches) for journeys not exceeding 24... other group in the aircraft by not less than 6 m (20 feet), measured from the outer surface of each...

49 CFR 175.702 - Separation distance requirements for packages containing Class 7 (radioactive) materials in cargo...

Code of Federal Regulations, 2013 CFR

2013-10-01

... containers and any space occupied by live animals is at least 0.5 m (20 inches) for journeys not exceeding 24... every other group in the aircraft by not less than 6 m (20 feet), measured from the outer surface of...

49 CFR 175.702 - Separation distance requirements for packages containing Class 7 (radioactive) materials in cargo...

Code of Federal Regulations, 2011 CFR

2011-10-01

... containers and any space occupied by live animals is at least 0.5 m (20 inches) for journeys not exceeding 24... every other group in the aircraft by not less than 6 m (20 feet), measured from the outer surface of...

49 CFR 175.702 - Separation distance requirements for packages containing Class 7 (radioactive) materials in cargo...

Code of Federal Regulations, 2010 CFR

2010-10-01

... containers and any space occupied by live animals is at least 0.5 m (20 inches) for journeys not exceeding 24... every other group in the aircraft by not less than 6 m (20 feet), measured from the outer surface of...

49 CFR 175.702 - Separation distance requirements for packages containing Class 7 (radioactive) materials in cargo...

Code of Federal Regulations, 2012 CFR

2012-10-01

... containers and any space occupied by live animals is at least 0.5 m (20 inches) for journeys not exceeding 24... every other group in the aircraft by not less than 6 m (20 feet), measured from the outer surface of...

Existing Soil Carbon Models Do Not Apply to Forested Wetlands

Treesearch

Carl C. Trettin; B. Song; M.F. Jurgensen; C. Li

2001-01-01

When assessing the biological,geological,and chemical cycling of nutrients and elements — or when assessing carbon dynamics with respect to global change — modeling and simulation are necessary. Although wetlands occupy a relatively small proportion of Earth’s terrestrial surface (

Osteal integration of porous implants from titanium nickelide.

PubMed

Kelmakov, V P; Itin, V I; Epifancev, A G; Lepakova, O K; Kitler, V D; Bulgakov, V N

2009-10-01

The microstructure of preparations from porous titanium nickelide was studied 4.5 months and 1.5 years after operations on the anterior compartments of the spine. Organic tissues of different morphology, compactness, and thickness occupied 100% of analyzed surface 1.5 years after implantation, while after 4.5 months the pores were filled by 60%. The content of calcium and phosphorus elements in surface pores after 1.5 years was close to their concentrations in human bones.

Atomistic Structure, Strength, and Kinetic Properties of Intergranular Films in Ceramics

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

Garofalini, Stephen H

2015-01-08

Intergranular films (IGFs) present in polycrystalline oxide and nitride ceramics provide an excellent example of nanoconfined glasses that occupy only a small volume percentage of the bulk ceramic, but can significantly influence various mechanical, thermal, chemical, and optical properties. By employing molecular dynamics computer simulations, we have been able to predict structures and the locations of atoms at the crystal/IGF interface that were subsequently verified with the newest electron microscopies. Modification of the chemistry of the crystal surface in the simulations provided the necessary mechanism for adsorption of specific rare earth ions from the IGF in the liquid state tomore » the crystal surface. Such results had eluded other computational approaches such as ab-initio calculations because of the need to include not only the modified chemistry of the crystal surfaces but also an accurate description of the adjoining glassy IGF. This segregation of certain ions from the IGF to the crystal caused changes in the local chemistry of the IGF that affected fracture behavior in the simulations. Additional work with the rare earth ions La and Lu in the silicon oxynitride IGFs showed the mechanisms for their different affects on crystal growth, even though both types of ions are seen adhering to a bounding crystal surface that would normally imply equivalent affects on grain growth.« less

CD45RO enriches for activated, highly mutated human germinal center B cells

PubMed Central

Jackson, Stephen M.; Harp, Natessa; Patel, Darshna; Zhang, Jeffrey; Willson, Savannah; Kim, Yoon J.; Clanton, Christian

2007-01-01

To date, there is no consensus regarding the influence of different CD45 isoforms during peripheral B-cell development. Examining correlations between surface CD45RO expression and various physiologic processes ongoing during the germinal center (GC) reaction, we hypothesized that GC B cells, like T cells, that up-regulate surface RO should progressively acquire phenotypes commonly associated with activated, differentiating lymphocytes. GC B cells (IgD−CD38+) were subdivided into 3 surface CD45RO fractions: RO−, RO+/−, and RO+. We show here that the average number of mutations per IgVH transcript increased in direct correlation with surface RO levels. Conjunctional use of RO and CD69 further delineated low/moderately and highly mutated fractions. Activation-induced cytidine deaminase (AID) mRNA was slightly reduced among RO+ GC B cells, suggesting that higher mutation averages are unlikely due to elevated somatic mutation activity. Instead, RO+ GC B cells were negative for Annexin V, comprised mostly (93%) of CD77− centrocytes, and were enriched for CD69+ cells. Collectively, RO+ GC B cells occupy what seems to be a specialized niche comprised mostly of centrocytes that may be in transition between activation states. These findings are among the first to sort GC B cells into populations enriched for live mutated cells solely using a single extracellular marker. PMID:17644737

Utility installation review system : implementation report.

DOT National Transportation Integrated Search

2009-03-01

Each year, the Texas Department of Transportation (TxDOT) issues thousands of approvals that enable new : utility installations to occupy the state right of way (ROW). The current utility installation review process : relies on the physical delivery ...

Interference Analysis for an Aeronautical Mobile Airport Communications System

NASA Technical Reports Server (NTRS)

Wilson, Jeffrey D.; Kercewski, Robert J.

2010-01-01

The next generation of aeronautical communications for airport surface applications has been identified through a NASA research program and an international collaborative future communications study. The result, endorsed by both the United States and European regulatory agencies is called AeroMACS (Aeronautical Mobile Airport Communications System) and is based upon the IEEE 802.16e mobile wireless standard. Coordinated efforts to develop appropriate aviation standards for the AeroMACS system are now underway within RTCA (United States) and Eurocae (Europe). AeroMACS will be implemented in a recently allocated frequency band, 5091- 5150 MHz. As this band is also occupied by fixed satellite service uplinks, AeroMACS must be designed to avoid interference with this incumbent service. The aspects of AeroMACS operation that present potential interference to the fixed satellite service are under analysis in order to enable the definition of standards that assure that such interference will be avoided. The NASA Glenn Research Center has been involved in this analysis, and the first results of modeling and simulation efforts directed at this analysis are the subject of this paper.12

Interference Analysis for an Aeronautical Mobile Airport Communications System

NASA Technical Reports Server (NTRS)

Wilson, Jeffrey D.; Kerczewski, Robert J.

2011-01-01

The next generation of aeronautical communications for airport surface applications has been identified through a NASA research program and an international collaborative future communications study. The result, endorsed by both the United States and European regulatory agencies is called AeroMACS (Aeronautical Mobile Airport Communications System) and is based upon the IEEE 802.16e mobile wireless standard. Coordinated efforts to develop appropriate aviation standards for the AeroMACS system are now underway within RTCA (United States) and Eurocae (Europe). AeroMACS will be implemented in a recently allocated frequency band, 5091-5150 MHz. As this band is also occupied by fixed satellite service uplinks, AeroMACS must be designed to avoid interference with this incumbent service. The aspects of AeroMACS operation that present potential interference to the fixed satellite service are under analysis in order to enable the definition of standards that assure that such interference will be avoided. The NASA Glenn Research Center has been involved in this analysis, and the first results of modeling and simulation efforts directed at this analysis are the subject of this presentation.

Ecology of bottomland oaks in the southeastern United states

Treesearch

Emile S. Gardiner

2001-01-01

0aks (Querczrs spp.) are among the most ecologically and economically valued trees of the floodplain forests which occupy the river valleys that dissect the Gulf and Atlantic coastal plains of the southeastem United States. In these floodplain forests, several species from the sections Quercus and Lobarae are commonly found distributed along a gradient of sites ranging...

7 CFR 1955.61 - Eviction of persons occupying inventory real property or dispossession of persons in possession...

Code of Federal Regulations, 2011 CFR

2011-01-01

... inventory real property or dispossession of persons in possession of chattel property. Advice and assistance.... Where OGC has given written authorization, eviction may be effected through State courts rather than... with the terms of the tenant's lease. If no written lease exists, the State Director will obtain advice...

7 CFR 1955.61 - Eviction of persons occupying inventory real property or dispossession of persons in possession...

Code of Federal Regulations, 2010 CFR

2010-01-01

... inventory real property or dispossession of persons in possession of chattel property. Advice and assistance.... Where OGC has given written authorization, eviction may be effected through State courts rather than... with the terms of the tenant's lease. If no written lease exists, the State Director will obtain advice...

Tennessee's Forests, 2004

Treesearch

Christopher M. Oswalt; Sonja N. Oswalt; Tony G. Johnson; James L. Chamberlain; KaDonna C. Randolph; John W. Coulston

2009-01-01

Forest land area in Tennessee amounted to 13.78 million acres. About 125 different species, mostly hardwood, account for an estimated 22.6 billion cubic feet of all growing-stock volume on timberland in the State. Hardwood forest types occupy the vast majority of the State's forest land, and oak-hickory is the dominant forest-type group, accounting for about 10.1...

City of Belo Horizante, State of Minas Gerais, Brazil, South America

NASA Technical Reports Server (NTRS)

1991-01-01

The city of Belo Horizante, State of Minas Gerais, (20.0S, 44.0W) is a relatively new community in southeastern Brazil. It lies about 225 miles north of Rio de Janeiro and occupies an area of rolling and hilly terrain. The economy is based on a mixture of agriculture, cattle grazing, mining and manufacturing.

Van der Waals Layered Materials: Surface Morphology, Interlayer Interaction, and Electronic Structure

NASA Astrophysics Data System (ADS)

Yeh, Po-Chun

The search for new ultrathin materials as the "new silicon" has begun. In this dissertation, I examine (1) the surface structure, including the growth, the crystal quality, and thin film surface corrugation of a monolayer sample and a few layers of MoS2 and WSe2, and (2) their electronic structure. The characteristics of these electronic systems depend intimately on the morphology of the surfaces they inhabit, and their interactions with the substrate or within layers. These physical properties will be addressed in each chapter. This thesis has dedicated to the characterization of mono- and a few layers of MoS2 and WSe2 that uses surface-sensitive probes such as low-energy electron microscopy and diffraction (LEEM and LEED). Prior to our studies, the characterization of monolayer MoS2 and WSe2 has been generally limited to optical and transport probes. Furthermore, the heavy use of thick silicon oxide layer as the supporting substrate has been important in order to allow optical microscopic characterization of the 2D material. Hence, to the best of our knowledge, this has prohibited studies of this material on other surfaces, and it has precluded the discovery of potentially rich interface interactions that may exist between MoS 2 and its supporting substrate. Thus, in our study, we use a so-called SPELEEM system (Spectroscopic Photo-Emission and Low Energy Electron Microscopy) to address these imaging modalities: (1) real-space microscopy, which would allow locating of monolayer MoS2 samples, (2) spatially-resolved low-energy diffraction which would allow confirmation of the crystalline quality and domain orientation of MoS2 samples, and, (3) spatially-resolved spectroscopy, which would allow electronic structure mapping of MoS2 samples. Moreover, we have developed a preparation procedure for samples that yield, a surface-probe ready, ultra-clean, and can be transferred on an arbitrary substrate. To fully understand the physics in MoS2 such as direct-to-indirect band gap transition, hole mobility, strain, or large spin-orbit splitting, we investigate our sample using micro-probe angle-resolved photoemission (micro-ARPES), which is a powerful tool to directly measure the electronic structure. We find that the valence bands of monolayer MoS2, particularly the low-binding-energy bands, are distinctly different from those of bulk MoS 2 in that the valence band maximum (VBM) of a monolayer is located at K¯ of the first Brillouin zone (BZ), rather than at Gamma, as is the case in bilayer and thicker MoS2 crystals. This result serves as a direct evidence, if complemented with the photoluminescence studies of conduction bands, which shows the direct-to-indirect transition from mono- to multi-layer MoS2. We also confirmed this same effect in WSe2 in our later studies. Also, by carefully studying the uppermost valence band (UVB) of both exfoliated and CVD-grown monolayer MoS2, we found a compression in energy in comparison with the calculated band, an effect, which were also observed in suspended sample with minimum-to-none substrate interaction. We tentatively attribute it to an intrinsic effect of monolayer MoS2 owning to lattice relaxation. The degree of compression in CVD-grown MoS2 is larger than that in exfoliated monolayer MoS 2, likely due to defects, doping, or stress. Furthermore, we find that the uppermost valence band near ?¯ of monolayer MoS2 is less dispersive than that of the bulk, which leads to a striking increase in the hole effective-mass and, hence, the reduced carrier mobility of the monolayer compared to bulk MoS2. Beyond monolayer MoS2, we have studied the evolution of bandgap as a function of interlayer twist angles in a bilayer MoS2 system. Our micro-ARPES measurements over the whole surface-Brillouin zone reveal the Gamma state is, indeed, the highest lying occupied state for all twist angles, affirming the indirect bandgap designation for bilayer MoS2, irrespective of twist angle. We directly quantify the energy separation between the high symmetry points Gamma and K¯ of the highest occupied states; this energy separation is predicted to be directly proportional to the interlayer separation, which is a function of the twist angle. We also confirm that this trend is a result of the energy shifting of the top-most occupied state at Gamma, which is predicted by DFT calculations. Finally, we also report on the variation of the hole effective mass at Gamma and K¯ with respect to twist angle and compare it with theory. Our study provides a direct measurement and serves as an example for how the interlayer coupling can affect the band structure and electron transitions, which is crucial in designing TMDs devices. I briefly sum up our angle-resolve two-photon photoemission (2PPE) studies on self-assembly molecules, organic molecules, and graphene on highly-crystalline metal systems, and our investigation of their interfacial charge transfer/trapping, image potential states, and coverage-dependent dipole moments, as well as their work functions by using a tunable ultra-fast femtosecond laser. (Abstract shortened by UMI.).

Low-lying excited states by constrained DFT.

PubMed

Ramos, Pablo; Pavanello, Michele

2018-04-14

Exploiting the machinery of Constrained Density Functional Theory (CDFT), we propose a variational method for calculating low-lying excited states of molecular systems. We dub this method eXcited CDFT (XCDFT). Excited states are obtained by self-consistently constraining a user-defined population of electrons, N c , in the virtual space of a reference set of occupied orbitals. By imposing this population to be N c = 1.0, we computed the first excited state of 15 molecules from a test set. Our results show that XCDFT achieves an accuracy in the predicted excitation energy only slightly worse than linear-response time-dependent DFT (TDDFT), but without incurring into problems of variational collapse typical of the more commonly adopted ΔSCF method. In addition, we selected a few challenging processes to test the limits of applicability of XCDFT. We find that in contrast to TDDFT, XCDFT is capable of reproducing energy surfaces featuring conical intersections (azobenzene and H 3 ) with correct topology and correct overall energetics also away from the intersection. Venturing to condensed-phase systems, XCDFT reproduces the TDDFT solvatochromic shift of benzaldehyde when it is embedded by a cluster of water molecules. Thus, we find XCDFT to be a competitive method among single-reference methods for computations of excited states in terms of time to solution, rate of convergence, and accuracy of the result.

Electronic structure studies of Ni( 1 0 0 ) surface reconstructions resulting from carbon, nitrogen, or oxygen atom adsorption

NASA Astrophysics Data System (ADS)

Kirsch, Janet E.; Harris, Suzanne

2003-01-01

Solid-state Fenske-Hall band structure calculations have been used to study the different surface structures which result from adsorption of a half monolayer of C, N, or O atoms on the Ni(1 0 0) surface. C or N atoms sit nearly coplanar with the surface Ni atoms and induce the "clock" reconstruction of the surface. In contrast, adsorbed O atoms sit slightly above the Ni(1 0 0) surface plane and have little effect on the overall surface structure. The local environments of the C, N, and O atoms on these surfaces are similar to their environments in a series of late transition metal carbonyl clusters, suggesting that some of the same electronic factors may play a role in favoring the different structures. Results of the calculations indicate that when adsorbates occupy coplanar sites on Ni(1 0 0), much of the Ni-Ni bonding within the surface layer and between the surface- and second-layers is disrupted. On the C- and N-covered surfaces the disruption is more than compensated for by the formation of strong adsorbate-Ni bonds and by new Ni-Ni surface bonds resulting from the clock reconstruction. When O is forced into a coplanar site, however, both the higher electron count and increased electronegativity of the O atoms lead to severe disruption of the surface bonding and weak Ni-O bonds. When O atoms sit above the surface, they form more polar Ni-O bonds, contribute less electron density to the Ni surface bands, and cause less disruption to Ni-Ni surface bonds. These results suggest that, similar to the organometallic clusters, the site preferences of C, N, and O atoms are directly related to their electron count, and in turn to the relative occupation of both Ni-Ni and X-Ni (X=C, N, O) antibonding bands.

Segregation formation, thermal and electronic properties of ternary cubic CdZnTe clusters: MD simulations and DFT calculations

NASA Astrophysics Data System (ADS)

Kurban, Mustafa; Erkoç, Şakir

2017-04-01

Surface and core formation, thermal and electronic properties of ternary cubic CdZnTe clusters are investigated by using classical molecular dynamics (MD) simulations and density functional theory (DFT) calculations. In this work, MD simulations of the CdZnTe clusters are performed by means of LAMMPS by using bond order potential (BOP). MD simulations are carried out at different temperatures to study the segregation phenomena of Cd, Zn and Te atoms, and deviation of clusters and heat capacity. After that, using optimized geometries obtained, excess charge on atoms, dipole moments, highest occupied molecular orbitals, lowest unoccupied molecular orbitals, HOMO-LUMO gaps (Eg) , total energies, spin density and the density of states (DOS) have been calculated with DFT. Simulation results such as heat capacity and segregation formation are compared with experimental bulk and theoretical results.

[Object-oriented remote sensing image classification in epidemiological studies of visceral leishmaniasis in urban areas].

PubMed

Almeida, Andréa Sobral de; Werneck, Guilherme Loureiro; Resendes, Ana Paula da Costa

2014-08-01

This study explored the use of object-oriented classification of remote sensing imagery in epidemiological studies of visceral leishmaniasis (VL) in urban areas. To obtain temperature and environmental information, an object-oriented classification approach was applied to Landsat 5 TM scenes from the city of Teresina, Piauí State, Brazil. For 1993-1996, VL incidence rates correlated positively with census tracts covered by dense vegetation, grass/pasture, and bare soil and negatively with areas covered by water and densely populated areas. In 2001-2006, positive correlations were found with dense vegetation, grass/pasture, bare soil, and densely populated areas and negative correlations with occupied urban areas with some vegetation. Land surface temperature correlated negatively with VL incidence in both periods. Object-oriented classification can be useful to characterize landscape features associated with VL in urban areas and to help identify risk areas in order to prioritize interventions.

Town of Riverhead Calverton rail access rehabilitation

DOT National Transportation Integrated Search

2010-10-01

Enterprise Park at Calverton (EPCAL) is located on the property formerly occupied by Grumman Corporation in Riverhead that was operated as the United States Naval Weapons Industrial Reserve Plant at Calverton. Today EPCAL contains an Industrial Park ...

Utility installation review (UIR) system training materials.

DOT National Transportation Integrated Search

2008-10-01

The Texas Department of Transportation (TxDOT) issues thousands of approvals every year that : enable new utility installations to occupy the state right-of-way (ROW). The utility installation : review process currently in place is manual, tedious, a...

Phase Diagram of KxFe2-ySe2-zSz and the Suppression of its Superconducting State by an Fe2-Se=S Tetrahedron Distortion

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

Lei H.; Abeykoon, M.; Bozin, E.S.

2011-09-19

We report structurally tuned superconductivity in a K{sub x}Fe{sub 2-y}Se{sub 2-z}S{sub z} (0 {le} z {le} 2) phase diagram. Superconducting T{sub c} is suppressed as S is incorporated into the lattice, eventually vanishing at 80% of S. The magnetic and conductivity properties can be related to stoichiometry on a poorly occupied Fe1 site and the local environment of a nearly fully occupied Fe2 site. The decreasing T{sub c} coincides with the increasing Fe1 occupancy and the overall increase in Fe stoichiometry from z = 0 to z = 2. Our results indicate that the irregularity of the Fe2-Se/S tetrahedron ismore » an important controlling parameter that can be used to tune the ground state in the new superconductor family.« less

Phase Diagram of K x Fe 2 - y Se 2 - z S z and the Suppression of its Superconducting State by an Fe 2 - Se / S Tetrahedron Distortion

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

Lei, Hechang; Abeykoon, Milinda; Bozin, Emil S.

2011-09-01

We report structurally tuned superconductivity in a K x Fe 2 - y Se 2 - z S z ( 0 ≤ z ≤ 2 ) phase diagram. Superconducting T c is suppressed as S is incorporated into the lattice, eventually vanishing at 80% of S. The magnetic and conductivity properties can be related to stoichiometry on a poorly occupied Fe1 site and the local environment of a nearly fully occupied Fe2 site. The decreasing T c coincides with the increasing Fe1 occupancy and the overall increase in Fe stoichiometry from z = 0 to z = 2 . Ourmore » results indicate that the irregularity of the Fe 2 - Se / S tetrahedron is an important controlling parameter that can be used to tune the ground state in the new superconductor family.« less

Phase Diagram of KxFe2-ySe2-zSz and the Suppression of its Superconducting State by an Fe2-Se/S Tetrahedron Distortion

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

H Lei; M Abeykoon; E Bozin

2011-12-31

We report structurally tuned superconductivity in a K{sub x}Fe{sub 2-y}Se{sub 2-z}S{sub z} (0 {le} z {le} 2) phase diagram. Superconducting T{sub c} is suppressed as S is incorporated into the lattice, eventually vanishing at 80% of S. The magnetic and conductivity properties can be related to stoichiometry on a poorly occupied Fe1 site and the local environment of a nearly fully occupied Fe2 site. The decreasing T{sub c} coincides with the increasing Fe1 occupancy and the overall increase in Fe stoichiometry from z = 0 to z = 2. Our results indicate that the irregularity of the Fe2-Se/S tetrahedron ismore » an important controlling parameter that can be used to tune the ground state in the new superconductor family.« less

Gaze shifts and fixations dominate gaze behavior of walking cats

PubMed Central

Rivers, Trevor J.; Sirota, Mikhail G.; Guttentag, Andrew I.; Ogorodnikov, Dmitri A.; Shah, Neet A.; Beloozerova, Irina N.

2014-01-01

Vision is important for locomotion in complex environments. How it is used to guide stepping is not well understood. We used an eye search coil technique combined with an active marker-based head recording system to characterize the gaze patterns of cats walking over terrains of different complexity: (1) on a flat surface in the dark when no visual information was available, (2) on the flat surface in light when visual information was available but not required, (3) along the highly structured but regular and familiar surface of a horizontal ladder, a task for which visual guidance of stepping was required, and (4) along a pathway cluttered with many small stones, an irregularly structured surface that was new each day. Three cats walked in a 2.5 m corridor, and 958 passages were analyzed. Gaze activity during the time when the gaze was directed at the walking surface was subdivided into four behaviors based on speed of gaze movement along the surface: gaze shift (fast movement), gaze fixation (no movement), constant gaze (movement at the body’s speed), and slow gaze (the remainder). We found that gaze shifts and fixations dominated the cats’ gaze behavior during all locomotor tasks, jointly occupying 62–84% of the time when the gaze was directed at the surface. As visual complexity of the surface and demand on visual guidance of stepping increased, cats spent more time looking at the surface, looked closer to them, and switched between gaze behaviors more often. During both visually guided locomotor tasks, gaze behaviors predominantly followed a repeated cycle of forward gaze shift followed by fixation. We call this behavior “gaze stepping”. Each gaze shift took gaze to a site approximately 75–80 cm in front of the cat, which the cat reached in 0.7–1.2 s and 1.1–1.6 strides. Constant gaze occupied only 5–21% of the time cats spent looking at the walking surface. PMID:24973656

Using SMAP to identify structural errors in hydrologic models

NASA Astrophysics Data System (ADS)

Crow, W. T.; Reichle, R. H.; Chen, F.; Xia, Y.; Liu, Q.

2017-12-01

Despite decades of effort, and the development of progressively more complex models, there continues to be underlying uncertainty regarding the representation of basic water and energy balance processes in land surface models. Soil moisture occupies a central conceptual position between atmosphere forcing of the land surface and resulting surface water fluxes. As such, direct observations of soil moisture are potentially of great value for identifying and correcting fundamental structural problems affecting these models. However, to date, this potential has not yet been realized using satellite-based retrieval products. Using soil moisture data sets produced by the NASA Soil Moisture Active/Passive mission, this presentation will explore the use of the remotely-sensed soil moisture data products as a constraint to reject certain types of surface runoff parameterizations within a land surface model. Results will demonstrate that the precision of the SMAP Level 4 Surface and Root-Zone soil moisture product allows for the robust sampling of correlation statistics describing the true strength of the relationship between pre-storm soil moisture and subsequent storm-scale runoff efficiency (i.e., total storm flow divided by total rainfall both in units of depth). For a set of 16 basins located in the South-Central United States, we will use these sampled correlations to demonstrate that so-called "infiltration-excess" runoff parameterizations under predict the importance of pre-storm soil moisture for determining storm-scale runoff efficiency. To conclude, we will discuss prospects for leveraging this insight to improve short-term hydrologic forecasting and additional avenues for SMAP soil moisture products to provide process-level insight for hydrologic modelers.

76 FR 295 - Proposed Amendments to the Water Quality Regulations, Water Code and Comprehensive Plan To...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-01-04

... endangered (T&E) species. Minimum setbacks from water bodies, wetlands, surface water supply intakes and water supply reservoirs at distances specified in the regulations, and from occupied homes, public buildings, public roads, public water supply wells, and domestic water supply wells as provided by...

Higher Order Cumulant Studies of Ocean Surface Random Fields from Satellite Altimeter Data

NASA Technical Reports Server (NTRS)

Cheng, B.

1996-01-01

Higher order statistics, especially 2nd order statistics, have been used to study ocean processes for many years in the past, and occupy an appreciable part of the research literature on physical oceanography. They in turn form part of a much larger field of study in statistical fluid mechanics.

EFFECT OF CENTRAL FANS AND IN-DUCT FILTERS ON DEPOSITION RATES OF ULTRAFINE AND FINE PARTICLES IN AN OCCUPIED TOWNHOUSE

EPA Science Inventory

Airborne particles are implicated in morbidity and mortality of certain high-risk subpopulations. Exposure to particles occurs mostly indoors, where a main removal mechanism is deposition to surfaces. Deposition can be affected by the use of forced- air circulation through duct...

Intra- and inter-group coordination patterns reveal collective behaviors of football players near the scoring zone.

PubMed

Duarte, Ricardo; Araújo, Duarte; Freire, Luís; Folgado, Hugo; Fernandes, Orlando; Davids, Keith

2012-12-01

This study examined emergent coordination processes in collective patterns of behavior in 3 vs 3 sub-phases of the team sport of association football near the scoring zone. We identified coordination tendencies for the centroid (i.e., team center) and surface area (i.e., occupied space) of each sub-group of performers (n=20 plays). We also compared these kinematic variables at three key moments of play using mixed-model ANOVAs. The centroids demonstrated a strong symmetric relation that described the coordinated attacking/defending actions of performers in this sub-phase of play. Conversely, analysis of the surface area of each team did not reveal a clear coordination pattern between sub-groups. But the difference in the occupied area between the attacking and defending sub-groups significantly increased over time. Findings emphasized that major changes in sub-group behaviors occurred just before an assisted pass was made (i.e., leading to a loss of stability in the 3 vs 3 sub-phases). Copyright © 2012 Elsevier B.V. All rights reserved.

Tendency to occupy a statistically dominant spatial state of the flow as a driving force for turbulent transition.

PubMed

Chekmarev, Sergei F

2013-03-01

The transition from laminar to turbulent fluid motion occurring at large Reynolds numbers is generally associated with the instability of the laminar flow. On the other hand, since the turbulent flow characteristically appears in the form of spatially localized structures (e.g., eddies) filling the flow field, a tendency to occupy such a structured state of the flow cannot be ruled out as a driving force for turbulent transition. To examine this possibility, we propose a simple analytical model that treats the flow as a collection of localized spatial structures, each of which consists of elementary cells in which the behavior of the particles (atoms or molecules) is uncorrelated. This allows us to introduce the Reynolds number, associating it with the ratio between the total phase volume for the system and that for the elementary cell. Using the principle of maximum entropy to calculate the most probable size distribution of the localized structures, we show that as the Reynolds number increases, the elementary cells group into the localized structures, which successfully explains turbulent transition and some other general properties of turbulent flows. An important feature of the present model is that a bridge between the spatial-statistical description of the flow and hydrodynamic equations is established. We show that the basic assumptions underlying the model, i.e., that the particles are indistinguishable and elementary volumes of phase space exist in which the state of the particles is uncertain, are involved in the derivation of the Navier-Stokes equation. Taking into account that the model captures essential features of turbulent flows, this suggests that the driving force for the turbulent transition is basically the same as in the present model, i.e., the tendency of the system to occupy a statistically dominant state plays a key role. The instability of the flow at high Reynolds numbers can then be a mechanism to initiate structural rearrangement of the flow to find this state.

The Electronic Spectra of CaN2(+) and Ca(N2)2(+)

NASA Technical Reports Server (NTRS)

Rodriguez-Santiago, Luis; Bauschlicher, Charles W., Jr.; Arnold, James (Technical Monitor)

1998-01-01

The ground and low-lying electronic states of CaN2(+) are studied at several levels of theory. The results for the X(sup 2)Sigma(+) state and the excited (2)(sup 2)Pi state, arising from occupying the Ca 4p orbital, are in good agreement with experiment. The analogous states of Ca(N2)2(+) are studied using the same theoretical approaches, and predictions are made as to the changes caused by the addition of the second N2 ligand.

Soil carbon in urban forest ecosystems

Treesearch

Richard V. Pouyat; Jonathan Russell-Anelli; Ian D. Yesilonis; Peter M. Groffman

2003-01-01

In the contiguous 48 states of the United States, urban areas increased twofold between 1969 and 1994 and currently occupy 3.5% of the land, or 2.81 x 107 ha (Dwyer et al., 1998). On a global scale, more than 476,000 ha of arable land are converled annually to urban areas (World Resources Institute, 1996). This conversion has the potential to...

Ukraine: Current Issues and U.S. Policy

DTIC Science & Technology

2017-01-03

state. Occupying the sensitive position between Russia and North Atlantic Treaty Organization (NATO) member states Poland, Slovakia, Hungary, and...Intelligence Unit (EIU), “dismantling ingrained structures of corruption will continue to meet with considerable resistance from organized business...economic component of the former Soviet Union, producing about four times the output of the next-ranking republic. Its fertile soil generated more

The supply and demand situation for oak timber

Treesearch

Kenneth L. Quigley

1971-01-01

Twenty oak species in the eastern United States account for one-third of the hardwood sawtimber volume and almost 10 percent of both hardwood and softwood growing-stock volume. The oak-hickory and oak-pine forest types occupy about 38 percent of the forest land in the eastern United States. Oak timber volume is increasing. Annual growth exceeds annual removals by about...

GROWTH REGULATION IN ROUS SARCOMA VIRUS INFECTED CHICKEN EMBRYO FIBROBLASTS: THE ROLE OF THE src GENE

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

Parry, G.; Bartholomew, J.A.; Blssell, M.J.

1980-07-01

We report here a study of the mechanisms leading to loss of growth control in chicken embryo fibroblasts transformed by Rous sarcoma virus (RSV). We have been particularly concerned with the role of the src gene in this process, and have used RSV mutants temperature sensitive (ts) for transformation to investigate the nature of the growth regulatory lesion. The two principal findings were (1) the stationary phase of the cell cycle (G{sub 1}) in chick embryo fibroblasts seems to have two distinct regulatory compartments (using the terminology of Brooks et al. we refer to these as 'Q' and 'A' states).more » When rendered stationary at 41.5 C by serum deprivation, normal cells enter a Q state, but cells infected with the ts-mutant occupy an A state. (2) Whereas normal cells can occupy either state depending on culture conditions, the ts-infected cells, at 41.5 C, do not seem to enter Q even though a known src gene product, a kinase, is reported to be inactive at this temperature. We discuss the possibility that viral factors other than the active src protein kinase influence growth control in infected cultures.« less

Remediation System Evaluation, Higgins Farm Superfund Site

EPA Pesticide Factsheets

The Higgins Farm Superfund Site is located in a rural portion of Franklin Township, Somerset County, New Jersey, approximately 4 miles northeast of Princeton, New Jersey. The site occupies approximately 75 acres southeast of New Jersey State Highway 518...

Space Radar Image of Colorado River

NASA Image and Video Library

1999-04-15

This space radar image illustrates the recent rapid urban development occurring along the lower Colorado River at the Nevada/Arizona state line. Lake Mojave is the dark feature that occupies the river valley in the upper half of the image.

Genomic maps of lincRNA occupancy reveal principles of RNA-chromatin interactions

PubMed Central

Chu, Ci; Qu, Kun; Zhong, Franklin; Artandi, Steven E.; Chang, Howard Y.

2011-01-01

SUMMARY Long intergenic noncoding RNAs (lincRNAs) are key regulators of chromatin state, yet the nature and sites of RNA-chromatin interaction are mostly unknown. Here we introduce Chromatin Isolation by RNA Purification (ChIRP), where tiling oligonucleotides retrieve specific lincRNAs with bound protein and DNA sequences, which are enumerated by deep sequencing. ChIRP-seq of three lincRNAs reveal that RNA occupancy sites in the genome are focal, sequence-specific, and numerous. Drosophila roX2 RNA occupies male X-linked gene bodies with increasing tendency toward the 3’ end, peaking at CES sites. Human telomerase RNA TERC occupies telomeres and Wnt pathway genes. HOTAIR lincRNA preferentially occupies a GA-rich DNA motif to nucleate broad domains of Polycomb occupancy and histone H3 lysine 27 trimethylation. HOTAIR occupancy occurs independently of EZH2, suggesting the order of RNA guidance of Polycomb occupancy. ChIRP-seq is generally applicable to illuminate the intersection of RNA and chromatin with newfound precision genome-wide. PMID:21963238

Principles of regulatory information conservation between mouse and human

DOE PAGES

Cheng, Yong; Ma, Zhihai; Kim, Bong-Hyun; ...

2014-11-19

To broaden our understanding of the evolution of gene regulation mechanisms, we generated occupancy profiles for 34 orthologous transcription factors (TFs) in human–mouse erythroid progenitor, lymphoblast and embryonic stem-cell lines. By combining the genome-wide transcription factor occupancy repertoires, associated epigenetic signals, and co-association patterns, here we deduce several evolutionary principles of gene regulatory features operating since the mouse and human lineages diverged. The genomic distribution profiles, primary binding motifs, chromatin states, and DNA methylation preferences are well conserved for TF-occupied sequences. However, the extent to which orthologous DNA segments are bound by orthologous TFs varies both among TFs and withmore » genomic location: binding at promoters is more highly conserved than binding at distal elements. Notably, occupancy-conserved TF-occupied sequences tend to be pleiotropic; they function in several tissues and also co-associate with many TFs. Lastly, single nucleotide variants at sites with potential regulatory functions are enriched in occupancy-conserved TF-occupied sequences.« less

R1 in the Shaker S4 occupies the gating charge transfer center in the resting state

PubMed Central

Lin, Meng-chin A.; Hsieh, Jui-Yi; Mock, Allan F.

2011-01-01

During voltage-dependent activation in Shaker channels, four arginine residues in the S4 segment (R1–R4) cross the transmembrane electric field. It has been proposed that R1–R4 movement is facilitated by a “gating charge transfer center” comprising a phenylalanine (F290) in S2 plus two acidic residues, one each in S2 and S3. According to this proposal, R1 occupies the charge transfer center in the resting state, defined as the conformation in which S4 is maximally retracted toward the cytoplasm. However, other evidence suggests that R1 is located extracellular to the charge transfer center, near I287 in S2, in the resting state. To investigate the resting position of R1, we mutated I287 to histidine (I287H), paired it with histidine mutations of key voltage sensor residues, and determined the effect of extracellular Zn2+ on channel activity. In I287H+R1H, Zn2+ generated a slow component of activation with a maximum amplitude (Aslow,max) of ∼56%, indicating that only a fraction of voltage sensors can bind Zn2+ at a holding potential of −80 mV. Aslow,max decreased after applying either depolarizing or hyperpolarizing prepulses from −80 mV. The decline of Aslow,max after negative prepulses indicates that R1 moves inward to abolish ion binding, going beyond the point where reorientation of the I287H and R1H side chains would reestablish a binding site. These data support the proposal that R1 occupies the charge transfer center upon hyperpolarization. Consistent with this, pairing I287H with A359H in the S3–S4 loop generated a Zn2+-binding site. At saturating concentrations, Aslow,max reached 100%, indicating that Zn2+ traps the I287H+A359H voltage sensor in an absorbing conformation. Transferring I287H+A359H into a mutant background that stabilizes the resting state significantly enhanced Zn2+ binding at −80 mV. Our results strongly support the conclusion that R1 occupies the gating charge transfer center in the resting conformation. PMID:21788609

Diversity in Morphology and Locomotory Behavior Is Associated with Niche Expansion in the Semi-aquatic Bugs.

PubMed

Crumière, Antonin J J; Santos, M Emilia; Sémon, Marie; Armisén, David; Moreira, Felipe F F; Khila, Abderrahman

2016-12-19

Acquisition of new ecological opportunities is a major driver of adaptation and species diversification [1-4]. However, how groups of organisms expand their habitat range is often unclear [3]. We study the Gerromorpha, a monophyletic group of heteropteran insects that occupy a large variety of water surface-associated niches, from small puddles to open oceans [5, 6]. Due to constraints related to fluid dynamics [7-9] and exposure to predation [5, 10], we hypothesize that selection will favor high speed of locomotion in the Gerromorpha that occupy water-air interface niches relative to the ancestral terrestrial life style. Through biomechanical assays and phylogenetic reconstruction, we show that only species that occupy water surface niches can generate high maximum speeds. Basally branching lineages with ancestral mode of locomotion, consisting of tripod gait, achieved increased speed on the water through increasing midleg length, stroke amplitude, and stroke frequency. Derived lineages evolved rowing as a novel mode of locomotion through simultaneous sculling motion almost exclusively of the midlegs. We demonstrate that this change in locomotory behavior significantly reduced the requirement for high stroke frequency and energy expenditure. Furthermore, we show how the evolution of rowing, by reducing stroke frequency, may have eliminated the constraint on body size, which may explain the evolution of larger Gerromorpha. This correlation between the diversity in locomotion behaviors and niche specialization suggests that changes in morphology and behavior may facilitate the invasion and diversification in novel environments. Copyright © 2016 The Author(s). Published by Elsevier Ltd.. All rights reserved.

The acidic pH-induced structural changes in apo-CP43 by spectral methodologies and molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Wang, Wang; Li, Xue; Wang, Qiuying; Zhu, Xixi; Zhang, Qingyan; Du, Linfang

2018-01-01

CP43 is closely associated with the photosystem II and exists the plant thylakoid membranes. The acidic pH-induced structural changes had been investigated by fluorescence spectrum, ANS spectrum, RLS spectrum, energy transfer experiment, acrylamide fluorescence quenching assay and MD simulation. The fluorescence spectrum indicated that the structural changes in acidic pH-induced process were a four-state model, which was nature state (N), partial unfolding state (PU), refolding state (R), and molten-globule state (M), respectively. Analysis of ANS spectrum illustrated that inner hydrophobic core exposed partially to surface below pH 2.0 and inferred also that the molten-globule state existed. The RLS spectrum showed the aggregation of apo-CP43 around the pI (pH 4.5-4.0). The alterations of apo-CP43 secondary structure with different acidic treatments were confirmed by FTIR spectrum. The energy transfer experiment and quenching research demonstrated structural change at pH 4.0 was loosest. The RMSF suggested two terminals played an important function in acidic denaturation process. The distance of two terminals shown slight difference in acidic pH-induced process during the unfolding process, both N-terminal and C-terminal occupied the dominant role. However, the N-terminal accounted for the main part in the refolding process. All kinds of SASA values corresponded to spectral results. The tertiary and secondary structure by MD simulation indicated that the part transmembrane α-helix was destroyed at low pH.

Adsorption of ammonia at GaN(0001) surface in the mixed ammonia/hydrogen ambient - a summary of ab initio data

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

Kempisty, Paweł; Krukowski, Stanisław; Interdisciplinary Centre for Materials Modelling, Warsaw University, Pawińskiego 5a, 02-106 Warsaw

Adsorption of ammonia at NH{sub 3}/NH{sub 2}/H-covered GaN(0001) surface was analyzed using results of ab initio calculations. The whole configuration space of partially NH{sub 3}/NH{sub 2}/H-covered GaN(0001) surface was divided into zones of differently pinned Fermi level: at the Ga broken bond state for dominantly bare surface (region I), at the valence band maximum (VBM) for NH{sub 2} and H-covered surface (region II), and at the conduction band minimum (CBM) for NH{sub 3}-covered surface (region III). The electron counting rule (ECR) extension was formulated for the case of adsorbed molecules. The extensive ab intio calculations show the validity of themore » ECR in case of all mixed H-NH{sub 2}-NH{sub 3} coverages for the determination of the borders between the three regions. The adsorption was analyzed using the recently identified dependence of the adsorption energy on the charge transfer at the surface. For region I ammonia adsorbs dissociatively, disintegrating into a H adatom and a HN{sub 2} radical for a large fraction of vacant sites, while for region II adsorption of ammonia is molecular. The dissociative adsorption energy strongly depends on the Fermi level at the surface (pinned) and in the bulk (unpinned) while the molecular adsorption energy is determined by bonding to surface only, in accordance to the recently published theory. Adsorption of Ammonia in region III (Fermi level pinned at CBM) leads to an unstable configuration both molecular and dissociative, which is explained by the fact that broken Ga-bonds are doubly occupied by electrons. The adsorbing ammonia brings 8 electrons to the surface, necessitating the transfer of these two electrons from the Ga broken bond state to the Fermi level. This is an energetically costly process. Adsorption of ammonia at H-covered site leads to the creation of a NH{sub 2} radical at the surface and escape of H{sub 2} molecule. The process energy is close to 0.12 eV, thus not large, but the direct inverse process is not possible due to the escape of the hydrogen molecule.« less

Oxygen and sulfur adsorption on vicinal surfaces of copper and silver: Preferred adsorption sites

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

Liu, Da-Jiang; Thiel, Patricia A.

We present an extensive density functional theory (DFT) study of adsorption site energetics for oxygen and sulfur adsorbed on two vicinal surfaces of Cu and Ag, with the goal of identifying the most stable adsorption site(s), identifying trends and common themes, and comparing with experimental work in the literature where possible. We also present benchmark calculations for adsorption on the flat (111) and (100) surfaces. The first vicinal surface is the (211), and results are similar for both metals. Here, we find that the step-doubling reconstruction is favored with both adsorbates and is driven by the creation of a specialmore » stable fourfold hollow (4fh) site at the reconstructed step. Zig-zag chain structures consisting of X–M–X units (X = chalcogen, M = metal) at the step edge are considered, in which the special 4fh site is partially occupied. The zig-zag configuration is energetically competitive for oxygen but not sulfur. DFT results for oxygen agree with experiment in terms of the stability of the reconstruction, but contradict the original site assignment. The second vicinal surface is the (410), where again results are similar for both metals. For oxygen, DFT predicts that step sites are filled preferentially even at lowest coverage, followed by terrace sites, consistent with the experiment. For sulfur, in contrast, DFT predicts that terrace sites fill first. Oxygen forms O–M–O rows on the top edge of the step, where it occupies incomplete 4fh sites. This resolves an experimental ambiguity in the site assignment. Finally, for both the (211) and (410) surfaces, the interaction energy that stabilizes the X–M–X chain or row correlates with the linearity of the X–M–X unit, which may explain key differences between oxygen and sulfur.« less

Oxygen and sulfur adsorption on vicinal surfaces of copper and silver: Preferred adsorption sites

DOE PAGES

Liu, Da-Jiang; Thiel, Patricia A.

2018-03-28

We present an extensive density functional theory (DFT) study of adsorption site energetics for oxygen and sulfur adsorbed on two vicinal surfaces of Cu and Ag, with the goal of identifying the most stable adsorption site(s), identifying trends and common themes, and comparing with experimental work in the literature where possible. We also present benchmark calculations for adsorption on the flat (111) and (100) surfaces. The first vicinal surface is the (211), and results are similar for both metals. Here, we find that the step-doubling reconstruction is favored with both adsorbates and is driven by the creation of a specialmore » stable fourfold hollow (4fh) site at the reconstructed step. Zig-zag chain structures consisting of X–M–X units (X = chalcogen, M = metal) at the step edge are considered, in which the special 4fh site is partially occupied. The zig-zag configuration is energetically competitive for oxygen but not sulfur. DFT results for oxygen agree with experiment in terms of the stability of the reconstruction, but contradict the original site assignment. The second vicinal surface is the (410), where again results are similar for both metals. For oxygen, DFT predicts that step sites are filled preferentially even at lowest coverage, followed by terrace sites, consistent with the experiment. For sulfur, in contrast, DFT predicts that terrace sites fill first. Oxygen forms O–M–O rows on the top edge of the step, where it occupies incomplete 4fh sites. This resolves an experimental ambiguity in the site assignment. Finally, for both the (211) and (410) surfaces, the interaction energy that stabilizes the X–M–X chain or row correlates with the linearity of the X–M–X unit, which may explain key differences between oxygen and sulfur.« less

Dendritic Cells: A Spot on Sialic Acid

PubMed Central

Crespo, Hélio J.; Lau, Joseph T. Y.; Videira, Paula A.

2013-01-01

Glycans decorating cell surface and secreted proteins and lipids occupy the juncture where critical host–host and host-pathogen interactions occur. The role of glycan epitopes in cell–cell and cell-pathogen adhesive events is already well-established, and cell surface glycan structures change rapidly in response to stimulus and inflammatory cues. Despite the wide acceptance that glycans are centrally implicated in immunity, exactly how glycans and their changes contribute to the overall immune response remains poorly defined. Sialic acids are unique sugars that usually occupy the terminal position of the glycan chains and may be modified by external factors, such as pathogens, or upon specific physiological cellular events. At cell surface, sialic acid-modified structures form the key fundamental determinants for a number of receptors with known involvement in cellular adhesiveness and cell trafficking, such as the Selectins and the Siglec families of carbohydrate recognizing receptors. Dendritic cells (DCs) preside over the transition from innate to the adaptive immune repertoires, and no other cell has such relevant role in antigen screening, uptake, and its presentation to lymphocytes, ultimately triggering the adaptive immune response. Interestingly, sialic acid-modified structures are involved in all DC functions, such as antigen uptake, DC migration, and capacity to prime T cell responses. Sialic acid content changes along DC differentiation and activation and, while, not yet fully understood, these changes have important implications in DC functions. This review focuses on the developmental regulation of DC surface sialic acids and how manipulation of DC surface sialic acids can affect immune-critical DC functions by altering antigen endocytosis, pathogen and tumor cell recognition, cell recruitment, and capacity for T cell priming. The existing evidence points to a potential of DC surface sialylation as a therapeutic target to improve and diversify DC-based therapies. PMID:24409183

Pb chains on reconstructed Si(335) surface

NASA Astrophysics Data System (ADS)

Krawiec, Mariusz

2009-04-01

The structural and electronic properties of Si(335)-Au surface decorated with Pb atoms are studied by means of density-functional theory. The resulting structural model features Pb atoms bonded to neighboring Si and Au surface atoms, forming monoatomic chain located 0.2 nm above the surface. The presence of Pb chain leads to a strong rebonding of Si atoms at the step edge. The fact that Pb atoms occupy positions in the middle of terrace is consistent with scanning tunneling microscopy (STM) data and also confirmed by simulated STM images. The calculated band structure clearly shows one-dimensional metallic character. The calculated electronic bands remain in very good agreement with photoemission data.

Electronic state and superconductivity of YBa2Cu3-xO7-y (M=Al,Zn and Sn) systems

NASA Technical Reports Server (NTRS)

Zhao, Y.; Zhang, Q. R.; Zhang, H.

1990-01-01

A series of YBa2Cu(3-x)MxO(7-y) (M=Al,Zn and Sn) single phase samples were prepared, and the measurements of the crystal structure, oxygen content, electric resistivity, thermoelectric power, Mossbauer spectrum, XPS and superconductivity were performed. The experimental results of X ray powder diffraction, Mossbauer spectrum and oxygen content show that the Zn(2+) and the Al(3+) occupy the Cu(2) site in Cu-O planes and the Cu(1) site in Cu-O chains respectively, but the Sn(4+) occupies both the Cu(1) sites. As regards the properties in superconducting state, both the Zn(2+) and the Al(3+) depress T(sub c) strongly, but the Sn(4+) does not. As for the electronic transport properties in normal state, the system doped by Al(3+) displays a rapid increase of resistivity and some electron localization-like effects, and the thermoelectric power enhances obviously; the series contained Zn(2+) almost shows no changes of electric resistivity but the sign of the thermoelectric power is reversed. Other results are given and briefly discussed.

CO adsorption on ion bombarded Ni(111): characterization by photoemission from adsorbed xenon

NASA Astrophysics Data System (ADS)

Fu, Sabrina S.; Malafsky, Geoffrey P.; Hsu, David S. Y.

1993-11-01

The adsorption of CO on Ni(111), ion bombarded with various fluences of 1.0 keV Ar + ions, has been investigated using photoemission from adsorbed xenon (PAX). After ion bombardment of the Ni(111) surface, various amounts of CO were adsorbed, followed by adsorption of xenon at 85 K. Two pressures of xenon were used in examining the 3d {5}/{2} peak of xenon: 5 × 10 -6 and 7 × 10 -10 Torr. PAX data taken at both pressures show that CO selectively adsorbs onto the defect (step) sites created by ion bombardment. In addition, it was found that the amount of CO which could occupy a defect site previously occupied by one Xe atom varied from 10 to 2.5, depending on the ion fluence.

Scanning tunneling spectroscopy of molecular thin films and semiconductor nanostructures

NASA Astrophysics Data System (ADS)

Gaan, Sandeep

Work presented in this thesis mostly deals with nano-scale study of electronic properties of organic semiconducting molecules using pentacene (Pn) as a model system and compared with various SiC surfaces to gain more insight into physical processes at nano-scale. In addition, InAs quantum dots (QDs) in a GaAs matrix are studied to probe electronic states of individual QDs. Scanning tunneling microscopy (STM) and spectroscopy (STS) are the primary experimental techniques used to probe local electronic properties on the nano-scale. Vacuum sublimated Pn thin films were deposited onto SiC substrates for STM/STS experiments. STM studies show high quality ordered Pn films. Atomic force microscopy (AFM) images reveal dendritic growth pattern of these films. Local density of states (LDOS) measurements using STS reveals a HOMO-LUMO bandgap. In order to study charge transport properties of Pn films, different amount of charge were injected into the sample by systematically changing the tip-sample separation. Saturation of the tunnel current was observed at positive sample voltages (LUMO states). This effect was attributed to a transport/space charge limitation in tunnel current by treating it as a situation analogous to charge injection into insulators which gives rise to space charge limited current (also previously observed in the case of organic semiconductors). Using a simple model we were able to derive a hopping rate that characterizes nano-scale transport in Pn films at least in the vicinity of the STM probe-tip. We have studied effect of transport limitation in the tunnel current for various semiconductor surfaces. In order to probe surfaces of varying conductivities, we have used Si-rich SiC surfaces such as 3x3 and 3x3 -R30° (both Mott-Hubbard insulators) as well as a highly conducting C-rich graphene surface, and compared those results with the data obtained from Pn. We observe variation of the decay constant kappa (which characterizes the tunneling process) on these surfaces of varying conductivities. The graphene surface shows no transport limitation in the tunnel current, as evidenced by only small changes in kappa as a function of tunnel current for these surfaces. This result is in sharp contrast to the case of Pn where kappa rapidly decays to zero with increasing tunnel current due to transport/space charge limited effects in the semiconductor. Thus, the change is kappa value in STM experiments is reflective of non-ideal behavior of the tunneling. As a specific case of transport limitation on the nano-scale we have also studied InAs QDs grown in a GaAs matrix. We observe that the occupation of discrete quantized states in the dots with electrons has a significant effect on tunneling spectra. When the QD state is occupied by an electron the potential in the dot is modified such that this state does not contribute to the tunnel current. The state then remains "invisible" in the tunneling spectra. Only in presence of transport channels in the vicinity of the dots can the electron localized in the QD state leak out to the substrate, and only then does the state appears in the spectrum. In our experiments these transport channels arise from steps which form as a result of in situ cleaving process for cross-sectional STM (XSTM) measurements.

Solution Properties of Dissymmetric Sulfonate-type Anionic Gemini Surfactants.

PubMed

Yoshimura, Tomokazu; Akiba, Kazuki

2016-01-01

Dissymmetric and symmetric anionic gemini surfactants, N-alkyl-N'-alkyl-N,N'dipropanesulfonylethylenediamine (CmCnSul, where m and n represent alkyl chain lengths of m-n = 4-16, 6-14, 8-12, 10-10, and 12-12), were synthesized by two- or three-step reactions. Their physicochemical properties were characterized by equilibrium surface tension measurements, steady-state fluorescence spectroscopy of pyrene, and dynamic light scattering. The critical micelle concentration (CMC) of the dissymmetric surfactants C4C16Sul, C6C14Sul, and C8C12Sul was slightly lower than that of the symmetric surfactant C10C10Sul. The occupied area per molecule (A) of C8C12Sul was smaller than that of C10C10Sul, indicating that C8C12Sul has a high surface activity. However, the increase in the degree of dissymmetry from C8C12Sul to C6C14Sul and then to C4C16Sul resulted in high surface tension and large A. Based on the surface tension, the standard free energies of micellization (∆G°mic) and adsorption (∆G°ads), the efficiency of surface adsorption (pC20), and the effectiveness of surface adsorption (CMC/C20) were obtained. These parameters suggested that C8C12Sul formed micelles more readily than the other surfactants. The properties determined from the surface tension indicated that C8C12Sul's ability is intermediate between those of C10C10Sul and C12C12Sul. The pyrene fluorescence and dynamic light scattering results revealed that the micelle size depends on the longer of the two alkyl chains in dissymmetric surfactants.

Genetic transformation of Pinus palustris (longleaf pine)

Treesearch

Alex M. Diner

1999-01-01

Longleaf pine (Pinus palustris Mill.) is an important softwood species in the Southeast United States. In presettlement times, this species occupied extensive, pure stands throughout the Atlantic and Gulf Coastal Plains from southeastern Virginia to eastern Texas, as well as south...

Synchrotron-based soft X-ray spectroscopic studies of the electronic structure of organic semiconducting molecules

NASA Astrophysics Data System (ADS)

Demasi, Alexander

Organic molecules have been the subject of many scientific studies due to their potential for use in a new generation of optoelectronic and semiconducting devices, such as organic photovoltaics and organic light emitting diodes. These studies are motivated by the fact that organic semiconductor devices have several advantages over traditional inorganic semiconductor devices. Unlike inorganic semiconductors, where the electronic properties are a result of the deliberate introduction of dopants to the material, the properties of organic semiconductors are often intrinsic to the molecules themselves. As a result, organic semiconductor devices are frequently less susceptible to contamination by impurities than their inorganic counterparts, which results in the relatively lower cost of producing such devices. Accurate experimental determination of the bulk and surface electronic structure of organic semiconductors is a prerequisite in developing a comprehensive understanding of such materials. The organic materials studied in this thesis were N,N-Ethylene-bis(1,1,1trifluoropentane-2,4-dioneiminato)-copper(ii) (abbreviated Cu-TFAC), aluminum tris-8hydroxyquinoline (A1g3), lithium quinolate (Liq), tetracyanoquinodimethane (TCNQ), and tetrafluorotetracyanoquinodimethane (F4TCNQ). The electronic structures of these materials were measured with several synchrotron-based x-ray spectroscopies. X-ray photoemission spectroscopy was used to measure the occupied total density of states and the core-level states of the aforementioned materials. X-ray absorption spectroscopy (XAS) was used to probe the element-specific unoccupied partial density of states (PDOS); its angle-resolved variant was used to measure the orientation of the molecules in a film and, in some circumstances, to gauge the extent of an organic film's crystallinity. Most notably, x-ray emission spectroscopy (XES) measures the element- specific occupied PDOS and, when aided by XAS, resonant XES can additionally be used to probe the electronic structure of individual atomic sites within a molecule. Most of the results in this thesis are accompanied by the results of electronic structure calculations determined with density functional theory (DFT). DFT is a useful aid in interpreting the results of the x-ray spectroscopies employed. The experimental results, combined with DFT calculations, provide a wealth of information regarding the electronic structures of these organic materials. v

Electronic transitions and band offsets in C60:SubPc and C60:MgPc on MoO3 studied by modulated surface photovoltage spectroscopy

NASA Astrophysics Data System (ADS)

Fengler, S.; Dittrich, Th.; Rusu, M.

2015-07-01

Electronic transitions at interfaces between MoO3 layers and organic layers of C60, SubPc, MgPc, and nano-composite layers of SubPc:C60 and MgPc:C60 have been studied by modulated surface photovoltage (SPV) spectroscopy. For all systems, time dependent and modulated SPV signals pointed to dissociation of excitons at the MoO3/organic layer interfaces with a separation of holes towards MoO3. The highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) gaps (EHL) of C60, SubPc, and MgPc and the effective EHL of SubPc:C60 and MgPc:C60 were measured. The offsets between the LUMO (ΔEL) or HOMO (ΔEH) bands were obtained with high precision and amounted to 0.33 or 0.73 eV for SubPc:C60, respectively, and to -0.33 or 0.67 eV for MgPc:C60, respectively. Exponential tails below EHL and most pronounced sub-bandgap transitions were characterized and ascribed to disorder and transitions from HOMO bands to unoccupied defect states.

Fermi-surface reconstruction and the origin of high-temperature superconductivity.

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

Norman, M. R.; Materials Science Division

2010-01-01

In crystalline lattices, the conduction electrons form waves, known as Bloch states, characterized by a momentum vector k. The defining characteristic of metals is the surface in momentum space that separates occupied from unoccupied states. This 'Fermi' surface may seem like an abstract concept, but it can be measured and its shape can have profound consequences for the thermal, electronic, and magnetic properties of a material. In the presence of an external magnetic field B, electrons in a metal spiral around the field direction, and within a semiclassical momentum-space picture, orbit around the Fermi surface. Physical properties, such as themore » magnetization, involve a sum over these orbits, with extremal orbits on the Fermi surface, i.e., orbits with minimal or maximal area, dominating the sum [Fig. 1(a)]. Upon quantization, the resulting electron energy spectrum consists of Landau levels separated by the cyclotron energy, which is proportional to the magnetic field. As the magnetic field causes subsequent Landau levels to cross through the Fermi energy, physical quantities, such as the magnetization or resistivity, oscillate in response. It turns out that the period of these oscillations, when plotted as a function of 1/B, is proportional to the area of the extremal orbit in a plane perpendicular to the applied field [Fig. 1(b)]. The power of the quantum oscillation technique is obvious: By changing the field direction, one can map out the Fermi surface, much like a blind man feeling an elephant. The nature and topology of the Fermi surface in high-T{sub c} cuprates has been debated for many years. Soon after the materials were discovered by Bednorz and Mueller, it was realized that superconductivity was obtained by doping carriers into a parent insulating state. This insulating state appears to be due to strong electronic correlations, and is known as a Mott insulator. In the case of cuprates, the electronic interactions force the electrons on the copper ion lattice into a d{sup 9} configuration, with one localized hole in the 3d shell per copper site. Given the localized nature of this state, it was questioned whether a momentum-space picture was an appropriate description of the physics of the cuprates. In fact, this question relates to a long-standing debate in the physics community: Since the parent state is also an antiferromagnet, one can, in principle, map the Mott insulator to a band insulator with magnetic order. In this 'Slater' picture, Mott physics is less relevant than the magnetism itself. It is therefore unclear which of the two, magnetism or Mott physics, is more fundamentally tied to superconductivity in the cuprates. After twenty years of effort, definitive quantum oscillations that could be used to map the Fermi surface were finally observed in a high-temperature cuprate superconductor in 2007. This and subsequent studies reveal a profound rearrangement of the Fermi surface in underdoped cuprates. The cause of the reconstruction, and its implication for the origin of high-temperature superconductivity, is a subject of active debate.« less

Free energy landscape of a minimalist salt bridge model.

PubMed

Li, Xubin; Lv, Chao; Corbett, Karen M; Zheng, Lianqing; Wu, Dongsheng; Yang, Wei

2016-01-01

Salt bridges are essential to protein stability and dynamics. Despite the importance, there has been scarce of detailed discussion on how salt bridge partners interact with each other in distinct solvent exposed environments. In this study, employing a recent generalized orthogonal space tempering (gOST) method, we enabled efficient molecular dynamics simulation of repetitive breaking and reforming of salt bridge structures within a minimalist salt-bridge model, the Asp-Arg dipeptide and thereby were able to map its detailed free energy landscape in aqueous solution. Free energy surface analysis shows that although individually-solvated states are more favorable, salt-bridge states still occupy a noticeable portion of the overall population. Notably, the competing forces, e.g. intercharge attractions that drive the formation of salt bridges and solvation forces that pull the charged groups away from each other, are energetically comparable. As the result, the salt bridge stability is highly tunable by local environments; for instance when local water molecules are perturbed to interact more strongly with each other, the population of the salt-bridge states is likely to increase. Our results reveal the critical role of local solvent structures in modulating salt-bridge partner interactions and imply the importance of water fluctuations on conformational dynamics that involves solvent accessible salt bridge formations. © 2015 The Protein Society.

Visualizing surface area and volumes of lumens in 3 dimensions using images from histological sections

USDA-ARS?s Scientific Manuscript database

Visualizing areas of tissue that are occupied by air or liquid can provide a unique perspective on the relationships between various spaces within the tissue. The portal tracts of liver tissue are an example of such a space since the liver contains several vessels and ducts in various patterns of i...

Recovery of wolverines in the western United States: Recent extirpation and recolonization or range retraction and expansion?

Treesearch

Kevin S. McKelvey; Keith B. Aubry; Neil J. Anderson; Anthony P. Clevenger; Jeffrey P. Copeland; Kimberley S. Heinemeyer; Robert M. Inman; John R. Squires; John S. Waller; Kristine L. Pilgrim; Michael K. Schwartz

2014-01-01

Wolverines were greatly reduced in number and possibly extirpated from the contiguous United States (U.S.) by the early 1900s. Wolverines currently occupy much of their historical range in Washington, Idaho, Montana, and Wyoming, but are absent from Utah and only single individuals are known to occur in California and Colorado. In response, the translocation of...

Recovery of wolverines in the western United States: recent extirpation and recolonization or range retraction and expansion?

Treesearch

Kevin S. McKelvey; Keith B. Aubry; Neil J. Anderson; Anthony P. Clevenger; Jeffrey P. Copeland; Kimberley S. Heinemeyer; Robert M. Inman; John R. Squires; John S. Waller; Kristine L. Pilgrim; Michael K. Schwartz

2014-01-01

Wolverines were greatly reduced in number and possibly extirpated from the contiguous United States (U.S.) by the early 1900s. Wolverines currently occupy much of their historical range in Washington, Idaho, Montana, and Wyoming, but are absent from Utah and only single individuals are known to occur in California and Colorado. In response, the translocation of...

Quantifying the role of urban forests in removing atmospheric carbon dioxide

Treesearch

Rowan A. Rowntree; David J. Nowak

1991-01-01

Urban land in the United States currently occupies about 69 million acres with an estimated average crown cover of 28% and an estimated tree biomass of about 27 tons/acre. This structure suggests that the current total urban forest carbon storage in the United States is approximately 800 million tons with an estimated annual net carbon storage of around 6.5 million...

Collaborating for Seamless Transitions from Early Childhood Education into Elementary Schools in Tulsa, Oklahoma

ERIC Educational Resources Information Center

Fain, Amy; Contreras, Diane Eason

2016-01-01

Oklahoma implemented universal pre-K in 1998. It is one of only five states that has or is implementing universal preschool, and for several years has served more four-year-old children than any other state. The organization, Community Action Project (CAP) Tulsa, occupies a unique position in this work. As one of the largest anti-poverty agencies…

Territory occupancy and breeding success of Peregrine Falcons Falco peregrinus at various stages of population recovery

USGS Publications Warehouse

McGrady, Michael J.; Hines, James; Rollie, Chris; Smith, George D.; Morton, Elise R.; Moore, Jennifer F.; Mearns, Richard M.; Newton, Ian; Murillo-Garcia, Oscar E.; Oli, Madan K.

2017-01-01

Organochlorine pesticides disrupted reproduction and killed many raptorial birds, and contributed to population declines during the 1940s to 1970s. We sought to discern whether and to what extent territory occupancy and breeding success changed from the pesticide era to recent years in a resident population of Peregrine Falcons Falco peregrinus in southern Scotland using long-term (1964–2015) field data and multi-state, multi-season occupancy models. Peregrine territories that were occupied with successful reproduction in one year were much more likely to be occupied and experience reproductive success in the following year, compared with those that were unoccupied or occupied by unsuccessful breeders in the previous year. Probability of territory occupancy differed between territories in the eastern and western parts of the study area, and varied over time. The probability of occupancy of territories that were unoccupied and those that were occupied with successful reproduction during the previous breeding season generally increased over time, whereas the probability of occupancy of territories that were occupied after failed reproduction decreased. The probability of reproductive success (conditional on occupancy) in territories that were occupied during the previous breeding season increased over time. Specifically, for territories that had been successful in the previous year, the probability of occupancy as well as reproductive success increased steadily over time; these probabilities were substantially higher in recent years than earlier, when the population was still exposed to direct or residual effects of organochlorine pesticides. These results are consistent with the hypothesis that progressive reduction, followed by a complete ban, in the use of organochlorine pesticides improved reproductive success of Peregrines in southern Scotland. Differences in the temporal pattern of probability of reproductive success between south-eastern and south-western Scotland suggest that the effect of organochlorine pesticides on Peregrine reproductive success and/or the recovery from pesticide effects varied geographically and was possibly affected by other factors such as persecution.

Small-angle neutron scattering study of recombinant yeast-derived human hepatitis B virus surface antigen vaccine particle

NASA Astrophysics Data System (ADS)

Sato, M.; Ito, Y.; Kameyama, K.; Imai, M.; Ishikawa, N.; Takagi, T.

1995-02-01

The overall and internal structure of recombinant yeast-derived human hepatitis B virus surface antigen vaccine particles was investigated by small-angle neutron scattering using the contrast variation method. The vaccine is a nearly spherical particle, and its contrast-matching point was determined to be at about 24% D 2O content, indicating that a large part of the vaccine particle is occupied by lipids and carbohydrates from the yeast. The Stuhrmann plot suggests that the surface antigens exist predominantly in the peripheral region of the particle, which is favorable to the induction of anti-virus antibodies.

Modeling and Simulating Airport Surface Operations with Gate Conflicts

NASA Technical Reports Server (NTRS)

Zelinski, Shannon; Windhorst, Robert

2017-01-01

The Surface Operations Simulator and Scheduler (SOSS) is a fast-time simulation platform used to develop and test future surface scheduling concepts such as NASA's Air Traffic Demonstration 2 of time-based surface metering at Charlotte Douglass International Airport (CLT). Challenges associated with CLT surface operations have driven much of SOSS development. Recently, SOSS functionality for modeling harsdstand operations was developed to address gate conflicts, which occur when an arrival and departure wish to occupy the same gate at the same time. Because surface metering concepts such as ATD2 have the potential to increase gates conflicts as departures are held at their gates, it is important to study the interaction between surface metering and gate conflict management. Several approaches to managing gate conflicts with and without the use of hardstands were simulated and their effects on surface operations and scheduler performance compared.

Modeling and Simulating Airport Surface Operations with Gate Conflicts

NASA Technical Reports Server (NTRS)

Zelinski, Shannon; Windhorst, Robert

2017-01-01

The Surface Operations Simulator and Scheduler (SOSS) is a fast-time simulation platform used to develop and test future surface scheduling concepts such as NASAs Air Traffic Demonstration 2 of time-based surface metering at Charlotte Douglas International Airport (CLT). Challenges associated with CLT surface operations have driven much of SOSS development. Recently, SOSS functionality for modeling hardstand operations was developed to address gate conflicts, which occur when an arrival and departure wish to occupy the same gate at the same time. Because surface metering concepts such as ATD2 have the potential to increase gates conflicts as departure are held at their gates, it is important to study the interaction between surface metering and gate conflict management. Several approaches to managing gate conflicts with and without the use of hardstands were simulated and their effects on surface operations and scheduler performance compared.

The scaling of urban surface water abundance and impairment with city size

NASA Astrophysics Data System (ADS)

Steele, M. K.

2018-03-01

Urbanization alters surface water compared to nonurban landscapes, yet little is known regarding how basic aquatic ecosystem characteristics, such as the abundance and impairment of surface water, differ with population size or regional context. This study examined the abundance, scaling, and impairment of surface water by quantifying the stream length, water body area, and impaired stream length for 3520 cities in the United States with populations from 2500 to 18 million. Stream length, water body area, and impaired stream length were quantified using the National Hydrography Dataset and the EPA's 303(d) list. These metrics were scaled with population and city area using single and piecewise power-law models and related to biophysical factors (precipitation, topography) and land cover. Results show that abundance of stream length and water body area in cities actually increases with city area; however, the per person abundance decreases with population size. Relative to population, impaired stream length did not increase until city populations were > 25,000 people, then scaled linearly with population. Some variation in abundance and impairment was explained by biophysical context and land cover. Development intensity correlated with stream density and impairment; however, those relationships depended on the orientation of the land covers. When high intensity development occupied the local elevation highs (+ 15 m) and undeveloped land the elevation lows, the percentage of impaired streams was less than the opposite land cover orientation (- 15 m) or very flat land. These results show that surface water abundance and impairment across contiguous US cities are influenced by city size and by biophysical setting interacting with land cover intensity.

FOB-SH: Fragment orbital-based surface hopping for charge carrier transport in organic and biological molecules and materials

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

Spencer, J.; Gajdos, F.; Blumberger, J., E-mail: j.blumberger@ucl.ac.uk

2016-08-14

We introduce a fragment orbital-based fewest switches surface hopping method, FOB-SH, designed to efficiently simulate charge carrier transport in strongly fluctuating condensed phase systems such as organic semiconductors and biomolecules. The charge carrier wavefunction is expanded and the electronic Hamiltonian constructed in a set of singly occupied molecular orbitals of the molecular sites that mediate the charge transfer. Diagonal elements of the electronic Hamiltonian (site energies) are obtained from a force field, whereas the off-diagonal or electronic coupling matrix elements are obtained using our recently developed analytic overlap method. We derive a general expression for the exact forces on themore » adiabatic ground and excited electronic state surfaces from the nuclear gradients of the charge localized electronic states. Applications to electron hole transfer in a model ethylene dimer and through a chain of ten model ethylenes validate our implementation and demonstrate its computational efficiency. On the larger system, we calculate the qualitative behaviour of charge mobility with change in temperature T for different regimes of the intermolecular electronic coupling. For small couplings, FOB-SH predicts a crossover from a thermally activated regime at low temperatures to a band-like transport regime at higher temperatures. For higher electronic couplings, the thermally activated regime disappears and the mobility decreases according to a power law. This is interpreted by a gradual loss in probability for resonance between the sites as the temperature increases. The polaron hopping model solved for the same system gives a qualitatively different result and underestimates the mobility decay at higher temperatures. Taken together, the FOB-SH methodology introduced here shows promise for a realistic investigation of charge carrier transport in complex organic, aqueous, and biological systems.« less

FOB-SH: Fragment orbital-based surface hopping for charge carrier transport in organic and biological molecules and materials

NASA Astrophysics Data System (ADS)

Spencer, J.; Gajdos, F.; Blumberger, J.

2016-08-01

We introduce a fragment orbital-based fewest switches surface hopping method, FOB-SH, designed to efficiently simulate charge carrier transport in strongly fluctuating condensed phase systems such as organic semiconductors and biomolecules. The charge carrier wavefunction is expanded and the electronic Hamiltonian constructed in a set of singly occupied molecular orbitals of the molecular sites that mediate the charge transfer. Diagonal elements of the electronic Hamiltonian (site energies) are obtained from a force field, whereas the off-diagonal or electronic coupling matrix elements are obtained using our recently developed analytic overlap method. We derive a general expression for the exact forces on the adiabatic ground and excited electronic state surfaces from the nuclear gradients of the charge localized electronic states. Applications to electron hole transfer in a model ethylene dimer and through a chain of ten model ethylenes validate our implementation and demonstrate its computational efficiency. On the larger system, we calculate the qualitative behaviour of charge mobility with change in temperature T for different regimes of the intermolecular electronic coupling. For small couplings, FOB-SH predicts a crossover from a thermally activated regime at low temperatures to a band-like transport regime at higher temperatures. For higher electronic couplings, the thermally activated regime disappears and the mobility decreases according to a power law. This is interpreted by a gradual loss in probability for resonance between the sites as the temperature increases. The polaron hopping model solved for the same system gives a qualitatively different result and underestimates the mobility decay at higher temperatures. Taken together, the FOB-SH methodology introduced here shows promise for a realistic investigation of charge carrier transport in complex organic, aqueous, and biological systems.

The Molecular Basis of TnrA Control by Glutamine Synthetase in Bacillus subtilis*

PubMed Central

Hauf, Ksenia; Kayumov, Airat; Gloge, Felix; Forchhammer, Karl

2016-01-01

TnrA is a master regulator of nitrogen assimilation in Bacillus subtilis. This study focuses on the mechanism of how glutamine synthetase (GS) inhibits TnrA function in response to key metabolites ATP, AMP, glutamine, and glutamate. We suggest a model of two mutually exclusive GS conformations governing the interaction with TnrA. In the ATP-bound state (A-state), GS is catalytically active but unable to interact with TnrA. This conformation was stabilized by phosphorylated l-methionine sulfoximine (MSX), fixing the enzyme in the transition state. When occupied by glutamine (or its analogue MSX), GS resides in a conformation that has high affinity for TnrA (Q-state). The A- and Q-state are mutually exclusive, and in agreement, ATP and glutamine bind to GS in a competitive manner. At elevated concentrations of glutamine, ATP is no longer able to bind GS and to bring it into the A-state. AMP efficiently competes with ATP and prevents formation of the A-state, thereby favoring GS-TnrA interaction. Surface plasmon resonance analysis shows that TnrA bound to a positively regulated promoter fragment binds GS in the Q-state, whereas it rapidly dissociates from a negatively regulated promoter fragment. These data imply that GS controls TnrA activity at positively controlled promoters by shielding the transcription factor in the DNA-bound state. According to size exclusion and multiangle light scattering analysis, the dodecameric GS can bind three TnrA dimers. The highly interdependent ligand binding properties of GS reveal this enzyme as a sophisticated sensor of the nitrogen and energy state of the cell to control the activity of DNA-bound TnrA. PMID:26635369

Short human occupations in the Middle Palaeolithic level i of the Abric Romani rock-shelter (Capellades, Barcelona, Spain)

USGS Publications Warehouse

Vallerdu, J.; Allue, E.; Bischoff, J.L.; Caceres, I.; Carbonell, E.; Cebria, A.; Garcia-Anton, D.; Huguet, R.; Ibanez, N.; Martinez, K.; Pasto, I.; Rosell, J.; Saladie, P.; Vaquero, Manola

2005-01-01

The small occupation surfaces and restricted provisioning strategies suggest short settlements in the Abric Romani. This shorter occupation model complements the longer diversified provisioning strategy recorded in both small and medium-sized occupied surfaces. The selection of precise elements for transport and the possible deferred consumption in the diversified provision strategy suggest an individual supply. In this respect, Neanderthal occupations in the Romani rock-shelter show a direct relation to: 1) hunting strategic resources; 2) high, linear mobility.

Molecular-orbital model for metal-sapphire interfacial strength

NASA Technical Reports Server (NTRS)

Johnson, K. H.; Pepper, S. V.

1982-01-01

Self-consistent-field X-Alpha scattered-wave cluster molecular-orbital models have been constructed for transition and noble metals (Fe, Ni, Cu, and Ag) in contact with a sapphire (Al2O3) surface. It is found that a chemical bond is established between the metal d-orbital electrons and the nonbonding 2p-orbital electrons of the oxygen anions on the Al2O3 surface. An increasing number of occupied metal-sapphire antibonding molecular orbitals explains qualitatively the observed decrease of contact shear strength through the series Fe, Ni, Cu, and Ag.

Two-Level Chebyshev Filter Based Complementary Subspace Method: Pushing the Envelope of Large-Scale Electronic Structure Calculations.

PubMed

Banerjee, Amartya S; Lin, Lin; Suryanarayana, Phanish; Yang, Chao; Pask, John E

2018-06-12

We describe a novel iterative strategy for Kohn-Sham density functional theory calculations aimed at large systems (>1,000 electrons), applicable to metals and insulators alike. In lieu of explicit diagonalization of the Kohn-Sham Hamiltonian on every self-consistent field (SCF) iteration, we employ a two-level Chebyshev polynomial filter based complementary subspace strategy to (1) compute a set of vectors that span the occupied subspace of the Hamiltonian; (2) reduce subspace diagonalization to just partially occupied states; and (3) obtain those states in an efficient, scalable manner via an inner Chebyshev filter iteration. By reducing the necessary computation to just partially occupied states and obtaining these through an inner Chebyshev iteration, our approach reduces the cost of large metallic calculations significantly, while eliminating subspace diagonalization for insulating systems altogether. We describe the implementation of the method within the framework of the discontinuous Galerkin (DG) electronic structure method and show that this results in a computational scheme that can effectively tackle bulk and nano systems containing tens of thousands of electrons, with chemical accuracy, within a few minutes or less of wall clock time per SCF iteration on large-scale computing platforms. We anticipate that our method will be instrumental in pushing the envelope of large-scale ab initio molecular dynamics. As a demonstration of this, we simulate a bulk silicon system containing 8,000 atoms at finite temperature, and obtain an average SCF step wall time of 51 s on 34,560 processors; thus allowing us to carry out 1.0 ps of ab initio molecular dynamics in approximately 28 h (of wall time).

Photoisomers of Azobenzene Star with a Flat Core: Theoretical Insights into Multiple States from DFT and MD Perspective.

PubMed

Koch, Markus; Saphiannikova, Marina; Santer, Svetlana; Guskova, Olga

2017-09-21

This study focuses on comparing physical properties of photoisomers of an azobenzene star with benzene-1,3,5-tricarboxamide core. Three azobenzene arms of the molecule undergo a reversible trans-cis isomerization upon UV-vis light illumination giving rise to multiple states from the planar all-trans one, via two mixed states to the kinked all-cis isomer. Employing density functional theory, we characterize the structural and photophysical properties of each state indicating a role the planar core plays in the coupling between azobenzene chromophores. To characterize the light-triggered switching of solvophilicity/solvophobicity of the star, the difference in solvation free energy is calculated for the transfer of an azobenzene star from its gas phase to implicit or explicit solvents. For the latter case, classical all-atom molecular dynamics simulations of aqueous solutions of azobenzene star are performed employing the polymer consistent force field to shed light on the thermodynamics of explicit hydration as a function of the isomerization state and on the structuring of water around the star. From the analysis of two contributions to the free energy of hydration, the nonpolar van der Waals and the electrostatic terms, it is concluded that isomerization specificity largely determines the polarity of the molecule and the solute-solvent electrostatic interactions. This convertible hydrophilicity/hydrophobicity together with readjustable occupied volume and the surface area accessible to water, affects the self-assembly/disassembly of the azobenzene star with a flat core triggered by light.

Intersubband surface plasmon polaritons in all-semiconductor planar plasmonic resonators

NASA Astrophysics Data System (ADS)

ZałuŻny, M.

2018-01-01

We theoretically discuss properties of intersubband surface plasmon polaritons (ISPPs) supported by the system consisting of a multiple quantum well (MQW) slab embedded into planar resonator with highly doped semiconducting claddings playing the role of cavity mirrors. Symmetric structures, where the MQW slab occupies the whole space between the claddings and asymmetric structures, where the MQW occupy only half of the space between mirrors, are considered. We focus mainly on the nearly degenerate structures where intersubband frequency is close to frequency of the surface plasmon of the mirrors. The ISPP characteristics are calculated numerically using a semiclassical approach based on the transfer matrix formalism and the effective-medium approximation. The claddings are described by the lossless Drude model. The possibility of engineering the dispersion of the ISPP branches is demonstrated. In particular, for certain parameters of the asymmetric structures we observe the formation of the multimode ISPP branches with two zero group velocity points. We show that the properties of the ISPP branches are reasonably well interpreted employing quasiparticle picture provided that the concept of the mode overlap factor is generalized, taking into account the dispersive character of the mirrors. In addition to this, we demonstrate that the lossless dispersion characteristics of the ISPP branches obtained in the paper are consistent with the angle-resolved reflection-absorption spectra of the GaAlAs-based realistic plasmonic resonators.

Multispectral Analysis of Surface Wave (MASW) Analysis of Near-Surface Structure at Brady Hot Springs from Active Source and Ambient Noise Using a 8700-meter Distributed Acoustic Sensing (DAS) Array

NASA Astrophysics Data System (ADS)

Wang, H. F.; Lord, N. E.; Zeng, X.; Fratta, D.; Feigl, K. L.; Team, P.

2016-12-01

The Porotomo research team deployed 8700-meters of Distributed Acoustic Sensing (DAS) cable in a shallow trench on the surface and 400 meters down a borehole at Brady Hot Springs, Nevada in March 2016. The goal of the experiment was to detect changes in geophysical properties associated with hydrologic changes. The DAS cable occupied a natural laboratory of 1500-by-500-by-400-meters overlying a commercial, geothermal field operated by Ormat Technologies. The DAS cable was laid out in three parallel zig-zag lines with line segments approximately 120-meters in length. A large Vibroseis truck (T-Rex) provided the seismic source with a sweep frequency between 5 and 80 Hz over 20 seconds. Over the 15 days of the experiment, the Vibroseis truck re-occupied approximately 250 locations outside and within the array days while changes were made in water reinjection from the power plant into wells in the field. At each source location, one vertical and two orthogonal horizontal modes were excited. Dispersion curves were constructed using MASW and a Vibroseis source location approximately in line with each DAS cable segment or from ambient noise correlation functions. Representative fence diagrams of S-wave profiles were constructed by inverting the dispersion curves obtained for several different line segments.

Temporal patterning of the potential induced by localized corrosion of iron passivity in acid media. Growth and breakdown of the oxide film described in terms of a point defect model.

PubMed

Sazou, Dimitra; Pavlidou, Maria; Pagitsas, Michael

2009-10-21

This work analyses the nature of temporal patterning of the anodic potential induced by chlorides during polarization of iron under current-controlled conditions in acid solutions. It is shown that potential oscillations emerged as a result of the local chloride attack of a thin oxide layer, which covers the iron surface in its passive state. The mechanism by which both the local oxide breakdown and the subsequent localized active dissolution (pitting) occur is explained by considering a point defect model (PDM) developed to describe the oxide growth and breakdown. According to the PDM, chlorides occupy oxygen vacancies resulting in the inhibition of oxide growth and autocatalytic generation of cation vacancies that destabilize the oxide layer. Simultaneous transformation of the outer surface of the inner oxide layer to non-adherent ferrous chloride or oxo-chloride species leads to a further thinning of the oxide layer and its lifting-on from the iron surface. The process repeats again yielding sustained oscillations of the anodic potential. Analysis of the oscillatory response obtained under current-controlled conditions as a function of either the current or the time allows the suggestion of a set of alternate diagnostic criteria, which might be used to characterize localized corrosion of iron in acid solutions.

Adsorbates in a Box: Titration of Substrate Electronic States

NASA Astrophysics Data System (ADS)

Cheng, Zhihai; Wyrick, Jonathan; Luo, Miaomiao; Sun, Dezheng; Kim, Daeho; Zhu, Yeming; Lu, Wenhao; Kim, Kwangmoo; Einstein, T. L.; Bartels, Ludwig

2010-08-01

Nanoscale confinement of adsorbed CO molecules in an anthraquinone network on Cu(111) with a pore size of ≈4nm arranges the CO molecules in a shell structure that coincides with the distribution of substrate confined electronic states. Molecules occupy the states approximately in the sequence of rising electron energy. Despite the sixfold symmetry of the pore boundary itself, the adsorbate distribution adopts the threefold symmetry of the network-substrate system, highlighting the importance of the substrate even for such quasi-free-electron systems.

Possible Tuff Cones In Isidis Planitia, Mars

NASA Astrophysics Data System (ADS)

Seabrook, A. M.; Rothery, D. A.; Bridges, J. C.; Wright, I. P.

The Beagle 2 lander of the ESA Mars Express mission will touch down on the martian surface in December 2003 to conduct a primarily exobiological mission. The landing site will be within Isidis Planitia, an 1100 km diameter impact basin. Isidis contains many sub-kilometre-sized cones. These can be found singly, in clusters, and in straight or arcuate chains extending many kilometres. In some areas of the basin these cones can occupy over 10% of the surface, with the most densely populated areas being in the older western half of the basin. There are few cones around the basin rim. There is also variation in the erosional state of the cones both across the basin, and within smaller areas, implying a range in time of formation for the cones. We currently favour a tuff cone origin as an explanation for these features. Tuff cones on Earth are rooted volcanic features formed at vents by the interaction between magma or magmatic heat and surface or near-surface water. Lava flows likely to be associated with at least some of the cones if they had a cinder cone (rooted eruptions at vents in a dry environment) origin are absent. This suggests the involvement of suffi- cient volatiles both to explosively fragment the erupting magma, and to cool the ejecta enough to prevent the formation of clastogenic flows. If our tuff cone interpretation is correct, this has implications for the presence, abundance and long-term persistence of sub-surface volatiles (water or carbon dioxide) on Mars. An understanding of the mechanism of formation of the Isidis cones will assist the characterisation of the basin in preparation for the landing of Beagle 2, by providing information about the history of volatiles and volcanism in the basin, and the processes that resulted in the surface we see today.

In vivo response to starch-based scaffolds designed for bone tissue engineering applications.

PubMed

Salgado, A J; Coutinho, O P; Reis, R L; Davies, J E

2007-03-15

Our purpose was to evaluate the in vivo endosseous response to three starch-based scaffolds implanted in rats (n = 54). We implanted the three scaffold groups; a 50/50 (wt %) blend of corn starch and ethylene-vinyl alcohol (SEVA-C), the same composition coated with a biomimetic calcium phosphate (Ca-P) layer (SEVA-C/CaP), and a 50/50 (wt %) blend of corn starch and cellulose acetate (SCA), all produced by extrusion with blowing agents, into distal femurs proximal to the epiphyseal plate, for 1, 3, or 6 weeks. Our results showed that at 1 week considerable reparative bone formed around all scaffold groups, although the bone was separated from the scaffold by an intervening soft tissue interfacial zone that comprised two distinct compartments: the surface of the scaffold was occupied by multinucleate giant cells and the compartment between these cells and the surrounding bone was occupied by a streaming fibrous-like tissue. The extracellular matrix of the latter was continuous with the extracellular bone matrix itself, labeled positively for osteocalcin and appeared mineralized by back-scattered electron imaging. All three scaffolds showed a similar tissue response, with the soft tissue interface diminishing with time. No bone contact was observed with SEVA-C at any time point, only transitory bone contact was observed with SEVA-C/CaP at 3 weeks, but SCA exhibited direct bone contact at 6 weeks where 56.23 +/- 6.46% of the scaffold surface was occupied by bone. We conclude that all materials exhibited a favorable bony response and that the rapidly forming initial "connective tissue" seen around all scaffolds was a very early form of bone formation.

Shortleaf pine in perspective: outlook for the national forests

Treesearch

James R. Crouch

1986-01-01

Shortleaf pine occupies more acreage on southern national forests than does any other softwood species but major concentrations on national forest lands occur only in Arkansas, Texas and Missouri. National forests in these states intend to continue to regenerate most shortleaf stands to shortleaf.

36 CFR 14.95 - Authority.

Code of Federal Regulations, 2011 CFR

2011-07-01

... rights-of-way through public lands and certain reservations of the United States, for electrical plants... telegraph purposes, and for pipelines, canals, ditches, water plants, and other purposes to the extent of the ground occupied by such canals, ditches, water plants, or other works permitted thereunder and not...

40 CFR 2.201 - Definitions.

Code of Federal Regulations, 2010 CFR

2010-07-01

... Federal, State or local governmental bodies and agencies and their employees. (b) Business means any... the net earnings derived from such engagement by such person inure (or may lawfully inure) to the... Counsel, Regional Counsel, and Freedom of Information Officer mean the EPA officers or employees occupying...

40 CFR 2.201 - Definitions.

Code of Federal Regulations, 2011 CFR

2011-07-01

... Federal, State or local governmental bodies and agencies and their employees. (b) Business means any... the net earnings derived from such engagement by such person inure (or may lawfully inure) to the... Counsel, Regional Counsel, and Freedom of Information Officer mean the EPA officers or employees occupying...

24 CFR 880.207 - Property standards.

Code of Federal Regulations, 2012 CFR

2012-04-01

... State and local laws, codes, ordinances and regulations. (g) Smoke detectors—(1) Performance requirement... smoke detector, in proper working condition, on each level of the unit. If the unit is occupied by hearing-impaired persons, smoke detectors must have an alarm system, designed for hearing-impaired persons...

24 CFR 880.207 - Property standards.

Code of Federal Regulations, 2010 CFR

2010-04-01

... State and local laws, codes, ordinances and regulations. (g) Smoke detectors—(1) Performance requirement... smoke detector, in proper working condition, on each level of the unit. If the unit is occupied by hearing-impaired persons, smoke detectors must have an alarm system, designed for hearing-impaired persons...

24 CFR 880.207 - Property standards.

Code of Federal Regulations, 2011 CFR

2011-04-01

... State and local laws, codes, ordinances and regulations. (g) Smoke detectors—(1) Performance requirement... smoke detector, in proper working condition, on each level of the unit. If the unit is occupied by hearing-impaired persons, smoke detectors must have an alarm system, designed for hearing-impaired persons...

24 CFR 880.207 - Property standards.

Code of Federal Regulations, 2014 CFR

2014-04-01

... State and local laws, codes, ordinances and regulations. (g) Smoke detectors—(1) Performance requirement... smoke detector, in proper working condition, on each level of the unit. If the unit is occupied by hearing-impaired persons, smoke detectors must have an alarm system, designed for hearing-impaired persons...

24 CFR 880.207 - Property standards.

Code of Federal Regulations, 2013 CFR

2013-04-01

... State and local laws, codes, ordinances and regulations. (g) Smoke detectors—(1) Performance requirement... smoke detector, in proper working condition, on each level of the unit. If the unit is occupied by hearing-impaired persons, smoke detectors must have an alarm system, designed for hearing-impaired persons...

Orbital Magnetization of Quantum Spin Hall Insulator Nanoparticles.

PubMed

Potasz, P; Fernández-Rossier, J

2015-09-09

Both spin and orbital degrees of freedom contribute to the magnetic moment of isolated atoms. However, when inserted in crystals, atomic orbital moments are quenched because of the lack of rotational symmetry that protects them when isolated. Thus, the dominant contribution to the magnetization of magnetic materials comes from electronic spin. Here we show that nanoislands of quantum spin Hall insulators can host robust orbital edge magnetism whenever their highest occupied Kramers doublet is singly occupied, upgrading the spin edge current into a charge current. The resulting orbital magnetization scales linearly with size, outweighing the spin contribution for islands of a few nm in size. This linear scaling is specific of the Dirac edge states and very different from Schrodinger electrons in quantum rings. By modeling Bi(111) flakes, whose edge states have been recently observed, we show that orbital magnetization is robust with respect to disorder, thermal agitation, shape of the island, and crystallographic direction of the edges, reflecting its topological protection.

The structure of neuronal calcium sensor-1 in solution revealed by molecular dynamics simulations.

PubMed

Bellucci, Luca; Corni, Stefano; Di Felice, Rosa; Paci, Emanuele

2013-01-01

Neuronal calcium sensor-1 (NCS-1) is a protein able to trigger signal transduction processes by binding a large number of substrates and re-shaping its structure depending on the environmental conditions. The X-ray crystal structure of the unmyristoilated NCS-1 shows a large solvent-exposed hydrophobic crevice (HC); this HC is partially occupied by the C-terminal tail and thus elusive to the surrounding solvent. We studied the native state of NCS-1 by performing room temperature molecular dynamics (MD) simulations starting from the crystal and the solution structures. We observe relaxation to a state independent of the initial structure, in which the C-terminal tail occupies the HC. We suggest that the C-terminal tail shields the HC binding pocket and modulates the affinity of NCS-1 for its natural targets. By analyzing the topology and nature of the inter-residue potential energy, we provide a compelling description of the interaction network that determines the three-dimensional organization of NCS-1.

Hydrogen-related defects in hydrogenated amorphous semiconductors

NASA Astrophysics Data System (ADS)

Jin, Shu; Ley, Lothar

1991-07-01

One of the key steps in the formation of glow-discharge-deposited (GD) a-Si:H or a-Ge:H films by plasma deposition from the gas phase is the elimination of excess hydrogen from the growth surface which is necessary for the cross linking of the Si or Ge network and the reduction of the defect density associated with the hydrogen-rich surface layer. The high defect density (~1018 cm-3) in a growing surface layer can, depending on preparation conditions, be either reduced (to ~1016 cm-3) or be trapped in the bulk upon subsequent growth, as evidenced by a great deal of data. However, little is known about its origin and implication. We have investigated the change in electronic structure related with this process using UHV-evaporated a-Ge as a model system, subjected to thermal hydrogenation, plasma hydrogenation, and various annealing cycles. The density of occupied states in the pseudogap of the a-Ge(:H) surface (probing depth ~50 Å) was determined with total-yield photoelectron spectroscopy. In this way, effects of thermal annealing, hydrogenation, and ion bombarding on the near-surface defect density could be studied. We identify in room-temperature (RT) hydrogenated a-Ge:H another defect at about Ev+0.45 eV in addition to the dangling-bond defect. This defect exists at the initial stage of hydrogen incorporation, decreases upon ~250 °C annealing, and is restored upon RT rehydrogenation. Therefore we suspect that this defect is hydrogen induced and concomitant with the formation of unexpected bondings [both multiply bonded XHx (X=Si or Ge and x=2 and 3) and polyhydride (XH2)n configurations] favored at RT hydrogenation. As a possible candidate we suggest the Ge-H-Ge three-center bond in which one electron is placed in a nonbonding orbital that gives rise to the paramagnetic state in the gap of a-Ge:H observed here. This defect also accounts for the large defect density at the growing surface in the optimized plasma chemical-vapor-deposition process, where the special bonding configurations mentioned above are the predominant species. The formation and annealing of this defect will be discussed.

Implementation of the Montreal Process: An Oregon Case Study

Treesearch

J. E. Brown

2006-01-01

The state of Oregon has about 28 million acres of forestland. The west side of the state is dominated by Douglas-fir forests, and most of the east side forests are occupied by Ponderosa pines or mixed conifers. The Oregon Board of Forestry is charged with making policy for Oregon’s forests. It has relied on quantitative assessments of forest conditions for many years,...

Environmental governance in China: Interactions between the state and "nonstate actors".

PubMed

Guttman, Dan; Young, Oran; Jing, Yijia; Bramble, Barbara; Bu, Maoliang; Chen, Carmen; Furst, Kathinka; Hu, Tao; Li, Yifei; Logan, Kate; Liu, Lingxuan; Price, Lydia; Spencer, Michael; Suh, Sangwon; Sun, Xiaopu; Tan, Bowen; Wang, Harold; Wang, Xin; Zhang, Juan; Zhang, Xinxin; Zeidan, Rodrigo

2018-08-15

In the West, limited government capacity to solve environmental problems has triggered the rise of a variety of "nonstate actors" to supplement government efforts or provide alternative mechanisms for addressing environmental issues. How does this development - along with our efforts to understand it - map onto environmental governance processes in China? China's efforts to address environmental issues reflect institutionalized governance processes that differ from parallel western processes in ways that have major consequences for domestic environmental governance practices and the governance of China "going abroad." China's governance processes blur the distinction between the state and other actors; the "shadow of the state" is a major factor in all efforts to address environmental issues. The space occupied by nonstate actors in western systems is occupied by shiye danwei ("public service units"), she hui tuanti ("social associations") and e-platforms, all of which have close links to the state. Meanwhile, international NGOs and multinational corporations are also significant players in China. As a result, the mechanisms of influence that produce effects in China differ in important ways from mechanisms familiar from the western experience. This conclusion has far-reaching implications for those seeking to address global environmental concerns, given the importance of China's growing economy and burgeoning network of trade relationships. Copyright © 2018 Elsevier Ltd. All rights reserved.

Negative Ion Photoelectron Spectroscopy Confirms the Prediction that D-3h Carbontrioxide (CO 3) Has a Singlet Ground State

DOE PAGES

Hrovat, David; Hou, Gao-Lei; Chen, Bo; ...

2015-11-13

The CO 3 radical anion (CO 3 •–) has been formed by electrospraying carbonate dianion (CO 3 2–) into the gas phase. The negative ion photoelectron (NIPE) spectrum of CO 3 •– shows that, unlike trimethylenemethane [C(CH 2) 3], carbontrioxide (CO 3) has a singlet ground state. From the NIPE spectrum, the electron affinity of CO 3 was determined to be EA = 4.06 ± 0.03 eV, and the singlet-triplet energy difference was found to be ΔEST = - 17.8 ± 0.9 kcal/mol. B3LYP, CCSD(T), and CASPT2 calculations all find that the two lowest triplet states of CO 3 aremore » very close in energy, a prediction that is confirmed by the relative intensities of the bands in the NIPE spectrum of CO 3 •–. The 560 cm -1 vibrational progression, seen in the low energy region of the triplet band, enables the identification of the lowest, Jahn-Teller-distorted, triplet state as 3A 1, in which both unpaired electrons reside in σ MOs, rather than 3A 2, in which one unpaired electron occupies the b 2 σ MO, and the other occupies the b 1 π MO.« less

Bacterial swimmers that infiltrate and take over the biofilm matrix

PubMed Central

Houry, Ali; Gohar, Michel; Deschamps, Julien; Tischenko, Ekaterina; Aymerich, Stéphane; Gruss, Alexandra; Briandet, Romain

2012-01-01

Bacteria grow in either planktonic form or as biofilms, which are attached to either inert or biological surfaces. Both growth forms are highly relevant states in nature and of paramount scientific focus. However, interchanges between bacteria in these two states have been little explored. We discovered that a subpopulation of planktonic bacilli is propelled by flagella to tunnel deep within a biofilm structure. Swimmers create transient pores that increase macromolecular transfer within the biofilm. Irrigation of the biofilm by swimmer bacteria may improve biofilm bacterial fitness by increasing nutrient flow in the matrix. However, we show that the opposite may also occur (i.e., swimmers can exacerbate killing of biofilm bacteria by facilitating penetration of toxic substances from the environment). We combined these observations with the fact that numerous bacteria produce antimicrobial substances in nature. We hypothesized and proved that motile bacilli expressing a bactericide can also kill a heterologous biofilm population, Staphylococcus aureus in this case, and then occupy the newly created space. These findings identify microbial motility as a determinant of the biofilm landscape and add motility to the complement of traits contributing to rapid alterations in biofilm populations. PMID:22773813

Electronic structures of 1-ML C84/Ag(111): Energy level alignment and work function variation

NASA Astrophysics Data System (ADS)

Wang, Peng; Zhao, Li-Li; Zhang, Jin-Juan; Li, Wen-Jie; Liu, Wei-Hui; Chen, Da; Sheng, Chun-Qi; Wang, Jia-Ou; Qian, Hai-Jie; Ibrahim, Kurash; Li, Hong-Nian

2017-12-01

The electronic structures of fullerene/metal interface are critical to the performance of devices based on fullerene in molecular electronics and organic electronics. Herein, we investigate the electronic structures at the interface between C84 and Ag(111) by photoelectron spectroscopy and soft X-ray absorption spectroscopy techniques. It is observed that C84 monolayer on Ag(111) surface (1-ML C84/Ag(111)) has metallic nature. A charge transfer from substrate to the unoccupied states of C84 is determined to be 1.3 electrons per molecule. However, the work function of 1-ML C84 (4.72 eV) is observed slightly larger than that of the clean Ag(111) substrate (4.50 eV). A bidirectional charge transfer model is introduced to understand the work function variation of the fullerene/metal system. In addition to the charge transfer from substrate to the adsorbate's unoccupied states, there exists non-negligible back charge transfer from fullerene occupied molecular orbital to the metal substrate through interfacial hybridization. The Fermi level will be pinned at ∼4.72 eV for C84 monolayer on coinage metal substrate.

Exact exchange plane-wave-pseudopotential calculations for slabs: Extending the width of the vacuum

NASA Astrophysics Data System (ADS)

Engel, Eberhard

2018-04-01

Standard plane-wave pseudopotential (PWPP) calculations for slabs such as graphene become extremely demanding, as soon as the exact exchange (EXX) of density functional theory is applied. Even if the Krieger-Li-Iafrate (KLI) approximation for the EXX potential is utilized, such EXX-PWPP calculations suffer from the fact that an accurate representation of the occupied states throughout the complete vacuum between the replicas of the slab is required. In this contribution, a robust and efficient extension scheme for the PWPP states is introduced, which ensures the correct exponential decay of the slab states in the vacuum for standard cutoff energies and therefore facilitates EXX-PWPP calculations for very wide vacua and rather thick slabs. Using this scheme, it is explicitly verified that the Slater component of the EXX/KLI potential decays as -1 /z over an extended region sufficiently far from the surface (assumed to be perpendicular to the z direction) and from the middle of the vacuum, thus reproducing the asymptotic behavior of the exact EXX potential of a single slab. The calculations also reveal that the orbital-shift component of the EXX/KLI potential is quite sizable in the asymptotic region. In spite of the long-range exchange potential, the replicas of the slab decouple rather quickly with increasing width of the vacuum. Relying on the identity of the work function with the Fermi energy obtained with a suitably normalized total potential, the present EXX/KLI calculations predict work functions for both graphene and the Si(111) surface which are substantially larger than the corresponding experimental data. Together with the size of the orbital-shift potential in the asymptotic region, the very large EXX/KLI work functions indicate a failure of the KLI approximation for nonmetallic slabs.

Use and selection of bridges as day roosts by Rafinesque's Big Eared Bats.

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

Bennett, Frances, M.; Loeb, Susan, C.; Bunch, Mary, S.

ABSTRACT.—Rafinesque’s big-eared bats (Corynorhinus rafinesquii) use bridges as day roosts in parts of their range, but information on bridge use across their range is lacking. From May to Aug. 2002 we surveyed 1129 bridges (12.5%) within all 46 counties of South Carolina to determine use and selection of bridges as day roosts by big-eared bats and to document their distribution across the state. During summer 2003, we visited 235 bridges in previously occupied areas of the state to evaluate short-term fidelity to bridge roosts. We found colonies and solitary big-eared bats beneath 38 bridges in 2002 and 54 bridges inmore » 2003. Construction type and size of bridges strongly influenced use in both years; bats selected large, concrete girder bridges and avoided flat-bottomed slab bridges. The majority of occupied bridges (94.7%) were in the Upper and Lower Coastal Plains, but a few bridges (5.3%) were located in the Piedmont. Rafinesque’s big-eared bats were absent beneath bridges in the Blue Ridge Mountains. We established new records of occurrence for 10 counties. In the Coastal Plains, big-eared bats exhibited a high degree of short-term fidelity to roosts in highway bridges. For bridges that were occupied at least once, mean frequency of use was 65.9%. Probability of finding bats under a bridge ranged from 0.46 to 0.73 depending on whether the bridge was occupied in the previous year. Thus, bridges should be inspected three to five times in a given year to determine whether they are being used. Regional bridge roost surveys may be a good method for determining the distribution of C. rafinesquii, particularly in the Coastal Plains, and protection of suitable bridges may be a viable conservation strategy where natural roost sites are limited.« less

Invertebrate Communities of Forested Limesink Wetlands in Southwest Georgia, USA: Habitat Use and Influence of Extended Inundation

Treesearch

Stephen W. Golladay; Brad W. Taylor; Brian J. Palik

1997-01-01

Limesink wetlands are a common aquatic habitat in southwest Georgia, USA. These wetlands are non-alluvial, occupying shallow depressions formed from dissolution of limestone bedrock and collapse of surface sands. They are seasonally inundated, with a typical hydroperiod extending from late February to early July. Little is known about factors influencing invertebrate...

Coupled Gravity and Elevation Measurements of Ice Sheet Mass Change

NASA Technical Reports Server (NTRS)

Jezek, K. C.

2005-01-01

We measured surface gravity and position at ten locations about two glaciological measurement networks located on the South-central Greenland Ice during June 2004. Six of the individual sites of the first network were occupied the previous year. At the repeat sites we were able to measure annual accumulation rate and surface displacement by referencing measurements to aluminum poles left in the firn the previous year. We occupied 4 additional sites at a second measurement network for the first time since initial observations were last made at the network in 1981. At each individual site, we operated a GPS unit for 90 minutes - the unit was operated simultaneously with a base station unit in Sondrestrom Fjord so as to enable differential, post-processing of the data. We installed an aluminum, accumulation-rate-pole at each site. The base section of the pole also served as the mount for the GPS antenna. A new, Scintrex gravimeter was used at each site and relative gravity measurements were tied to the network of absolute gravity stations in Sondrestrom. We measured snow physical properties in two shallow pits. This report summarizes our observations and data analysis.

Self-Learning Off-Lattice Kinetic Monte Carlo method as applied to growth on metal surfaces

NASA Astrophysics Data System (ADS)

Trushin, Oleg; Kara, Abdelkader; Rahman, Talat

2007-03-01

We propose a new development in the Self-Learning Kinetic Monte Carlo (SLKMC) method with the goal of improving the accuracy with which atomic mechanisms controlling diffusive processes on metal surfaces may be identified. This is important for diffusion of small clusters (2 - 20 atoms) in which atoms may occupy Off-Lattice positions. Such a procedure is also necessary for consideration of heteroepitaxial growth. The new technique combines an earlier version of SLKMC [1] with the inclusion of off-lattice occupancy. This allows us to include arbitrary positions of adatoms in the modeling and makes the simulations more realistic and reliable. We have tested this new approach for the case of the diffusion of small 2D Cu clusters diffusion on Cu(111) and found good performance and satisfactory agreement with results obtained from previous version of SLKMC. The new method also helped reveal a novel atomic mechanism contributing to cluster migration. We have also applied this method to study the diffusion of Cu clusters on Ag(111), and find that Cu atoms generally prefer to occupy off-lattice sites. [1] O. Trushin, A. Kara, A. Karim, T.S. Rahman Phys. Rev B 2005

Movement, demographics, and occupancy dynamics of a federally-threatened salamander: evaluating the adequacy of critical habitat

PubMed Central

McEntire, Kira D.; Sissel, Blake N.

2016-01-01

Critical habitat for many species is often limited to occupied localities. For rare and cryptic species, or those lacking sufficient data, occupied habitats may go unrecognized, potentially hindering species recovery. Proposed critical habitat for the aquatic Jollyville Plateau salamander (Eurycea tonkawae) and two sister species were delineated based on the assumption that surface habitat is restricted to springs and excludes intervening stream reaches. To test this assumption, we performed two studies to understand aspects of individual, population, and metapopulation ecology of E. tonkawae. First, we examined movement and population demographics using capture-recapture along a spring-influenced stream reach. We then extended our investigation of stream habitat use with a study of occupancy and habitat dynamics in multiple headwater streams. Indications of extensive stream channel use based on capture-recapture results included frequent movements of >15 m, and high juvenile abundance downstream of the spring. Initial occupancy of E. tonkawae was associated with shallow depths, maidenhair fern presence and low temperature variation (indicative of groundwater influence), although many occupied sites were far from known springs. Additionally, previously dry sites were three times more likely to be colonized than wet sites. Our results indicate extensive use of stream habitats, including intermittent ones, by E. tonkawae. These areas may be important for maintaining population connectivity or even as primary habitat patches. Restricting critical habitat to occupied sites will result in a mismatch with actual habitat use, particularly when assumptions of habitat use are untested, thus limiting the potential for recovery. PMID:26998413

Crafting ferromagnetism in Mn-doped MgO surfaces with p-type defects

PubMed Central

Panigrahi, Puspamitra; Araujo, C Moyses; Hussen, Tanveer; Ahuja, Rajeev

2014-01-01

We have employed first-principles calculations based on density functional theory (DFT) to investigate the underlying physics of unusual magnetism in Mn-doped MgO surface. We have studied two distinct scenarios. In the first one, two Mn atoms are substitutionally added to the surface, occupying the Mg sites. Both are stabilized in the Mn valence state carrying a local moment of 4.3 having a high-spin configuration. The magnetic interaction between the local moments display a very short-ranged characteristic, decaying very quickly with distance, and having antiferromagnetic ordering lower in energy. The energetics analysis also indicates that the Mn ions prefer to stay close to each other with an oxygen atom bridging the local interaction. In the second scenario, we started exploring the effect of native defects on the magnetism by crafting both Mg and O vacancies, which are p- and n-type defects, respectively. It is found that the electrons and holes affect the magnetic interaction between Mn ions in a totally different manner. The n-type defect leads to very similar magnetism, with the AFM configuration being energetically preferred. However, in the presence of Mg vacancy, the situation is quite different. The Mn atoms are further oxidized, giving rise to mixed Mn(d) ionic states. As a consequence, the Mn atoms couple ferromagnetically, when placed in the close configuration, and the obtained electronic structure is coherent with the double-exchange type of magnetic interaction. To guarantee the robustness of our results, we have benchmarked our calculations with three distinct theory levels, namely DFT-GGA, DFT-GGA+U and DFT-hybrid functionals. On the surface, the Mg vacancy displays lower formation energy occurring at higher concentrations. Therefore, our model systems can be the basis to explain a number of controversial results regarding transition metal doped oxides. PMID:27877684

Characterizing environmental suitability of Aedes albopictus (Diptera: Culicidae) in Mexico based on regional and global niche models.

PubMed

Yañez-Arenas, Carlos; Rioja-Nieto, Rodolfo; Martín, Gerardo A; Dzul-Manzanilla, Felipe; Chiappa-Carrara, Xavier; Buenfil-Ávila, Aura; Manrique-Saide, Pablo; Correa-Morales, Fabián; Díaz-Quiñónez, José Alberto; Pérez-Rentería, Crescencio; Ordoñez-Álvarez, José; Vazquez-Prokopec, Gonzalo; Huerta, Herón

2018-01-10

The Asian tiger mosquito, Aedes albopictus (Skuse) (Diptera: Culicidae), is an invasive species and a vector of numerous human pathogens, including chikungunya, dengue, yellow fever, and Zika viruses. This mosquito had been reported from 36 geographic locations in Mexico by 2005, increasing to 101 locations by 2010 and 501 locations (spanning 16 states) by 2016. Here we modeled the occupied niche for Ae. albopictus in Mexico to characterize the environmental conditions related to its presence, and to generate updated environmental suitability maps. The predictors with the greatest contribution to characterizing the occupied niche for Ae. albopictus were NDVI and annual mean temperature. We also estimated the environmental suitability for Ae. albopictus in regions of the country where it has not been documented yet, by means of: 1) transferring its occupied niche model to these regions and 2) modeling its fundamental niche using global data. Our models will help vector control and public health institutions to identify areas where Ae. albopictus has not yet been recorded but where it may be present. We emphasize that most of Mexico has environmental conditions that potentially allow the survival of Ae. albopictus, which underscores the need for systematic mosquito monitoring in all states of the country. © The Author(s) 2017. Published by Oxford University Press on behalf of Entomological Society of America. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Black-footed ferrets and recreational shooting influence the attributes of black-tailed prairie dog burrows

USGS Publications Warehouse

Biggins, Dean E.; Ramakrishnan, Shantini; Goldberg, Amanda R.; Eads, David A.

2012-01-01

Black-tailed prairie dogs (Cynomys ludovicianus) plug burrows occupied by black-footed ferrets (Mustela nigripes), and they also plug burrows to entomb dead prairie dogs. We further evaluated these phenomena by sampling connectivity and plugging of burrow openings on prairie dog colonies occupied by ferrets, colonies where recreational shooting was allowed, and colonies with neither shooting nor ferrets. We counted burrow openings on line surveys and within plots, classified surface plugging, and used an air blower to examine subsurface connectivity. Colonies with ferrets had lower densities of openings, fewer connected openings (suggesting increased subsurface plugging), and more surface plugs compared to colonies with no known ferrets. Colonies with recreational shooting had the lowest densities of burrow openings, and line-survey data suggested colonies with shooting had intermediate rates of surface plugging. The extent of surface and subsurface plugging could have consequences for the prairie dog community by changing air circulation and escape routes of burrow systems and by altering energetic relationships. Burrow plugging might reduce prairie dogs' risk of predation by ferrets while increasing risk of predation by American badgers (Taxidea taxus); however, the complexity of the trade-off is increased if plugging increases the risk of predation on ferrets by badgers. Prairie dogs expend more energy plugging and digging when ferrets or shooting are present, and ferrets increase their energy expenditures when they dig to remove those plugs. Microclimatic differences in plugged burrow systems may play a role in flea ecology and persistence of the flea-borne bacterium that causes plague (Yersinia pestis).

Sleep Wakefulness Determinations From Heart Rate Data. Volume III.

DTIC Science & Technology

1977-05-31

differentiating It from states such as coma, trance, and anesthesia . The study of the phenomena of sleep has occupied researchers for many years...pressure and heart rate in the rabbit during animal hypnosis . Electroencephalog. Clln. Neurophslol., 37:231-237, 1974. 19. Clausen, J., Sersen, E.A

Spatial Bose-Einstein Condensation.

ERIC Educational Resources Information Center

Masut, Remo; Mullin, William J.

1979-01-01

Analyzes three examples of spatial Bose-Einstein condensations in which the particles macroscopically occupy the lowest localized state of an inhomogeneous external potential. The three cases are (1) a box with a small square potential well inside, (2) a harmonic oscillator potential, and (3) randomly sized trapping potentials caused by…

Northern goshawk (Accipiter gentilis)

Treesearch

John R. Squires; Richard T. Reynolds

1997-01-01

The Northern Goshawk (hereafter referred to as Goshawk) is a large forest raptor, occupying boreal and temperate forests throughout the Holarctic. In North America, it breeds from Alaska to Newfoundland and south (Fig. 1). This partial migrant winters throughout its breeding range including occasionally the Great Plains and southeastern states; some...

36 CFR 14.95 - Authority.

Code of Federal Regulations, 2013 CFR

2013-07-01

... telegraph purposes, and for pipelines, canals, ditches, water plants, and other purposes to the extent of the ground occupied by such canals, ditches, water plants, or other works permitted thereunder and not... citizen, association, or corporation of the United States, where it is intended by such to exercise the...

36 CFR 14.95 - Authority.

Code of Federal Regulations, 2012 CFR

2012-07-01

... telegraph purposes, and for pipelines, canals, ditches, water plants, and other purposes to the extent of the ground occupied by such canals, ditches, water plants, or other works permitted thereunder and not... citizen, association, or corporation of the United States, where it is intended by such to exercise the...

36 CFR 14.95 - Authority.

Code of Federal Regulations, 2014 CFR

2014-07-01

... telegraph purposes, and for pipelines, canals, ditches, water plants, and other purposes to the extent of the ground occupied by such canals, ditches, water plants, or other works permitted thereunder and not... citizen, association, or corporation of the United States, where it is intended by such to exercise the...

Advancing eco-driving strategies for drivers and automated vehicles traveling within intersection vicinities : final report.

DOT National Transportation Integrated Search

2016-01-01

Vehicle emissions occupy a considerable share of emission inventories in the United States. One of the approaches taken to minimize vehicle emissions is eco-driving. Supported by advanced ITS technologies, it is available to provide the real-time eco...

50 CFR 660.412 - EFH identifications and descriptions for Pacific salmon.

Code of Federal Regulations, 2010 CFR

2010-10-01

... Pacific salmon. 660.412 Section 660.412 Wildlife and Fisheries FISHERY CONSERVATION AND MANAGEMENT... COAST STATES West Coast Salmon Fisheries § 660.412 EFH identifications and descriptions for Pacific salmon. Pacific salmon essential fish habitat (EFH) includes all those water bodies occupied or...

From cluster structures to nuclear molecules: The role of nodal structure of the single-particle wave functions

NASA Astrophysics Data System (ADS)

Afanasjev, A. V.; Abusara, H.

2018-02-01

The nodal structure of the density distributions of the single-particle states occupied in rod-shaped, hyper- and megadeformed structures of nonrotating and rotating N ˜Z nuclei has been investigated in detail. The single-particle states with the Nilsson quantum numbers of the [N N 0 ]1 /2 (with N from 0 to 5) and [N ,N -1 ,1 ]Ω (with N from 1 to 3 and Ω =1 /2 , 3/2) types are considered. These states are building blocks of extremely deformed shapes in the nuclei with mass numbers A ≤50 . Because of (near) axial symmetry and large elongation of such structures, the wave functions of the single-particle states occupied are dominated by a single basis state in cylindrical basis. This basis state defines the nodal structure of the single-particle density distribution. The nodal structure of the single-particle density distributions allows us to understand in a relatively simple way the necessary conditions for α clusterization and the suppression of the α clusterization with the increase of mass number. It also explains in a natural way the coexistence of ellipsoidal mean-field-type structures and nuclear molecules at similar excitation energies and the features of particle-hole excitations connecting these two types of the structures. Our analysis of the nodal structure of the single-particle density distributions does not support the existence of quantum liquid phase for the deformations and nuclei under study.

Properties of Augmented Kohn-Sham Potential for Energy as Simple Sum of Orbital Energies.

PubMed

Zahariev, Federico; Levy, Mel

2017-01-12

A recent modification to the traditional Kohn-Sham method ( Levy , M. ; Zahariev , F. Phys. Rev. Lett. 2014 , 113 , 113002 ; Levy , M. ; Zahariev , F. Mol. Phys. 2016 , 114 , 1162 - 1164 ), which gives the ground-state energy as a direct sum of the occupied orbital energies, is discussed and its properties are numerically illustrated on representative atoms and ions. It is observed that current approximate density functionals tend to give surprisingly small errors for the highest occupied orbital energies that are obtained with the augmented potential. The appropriately shifted Kohn-Sham potential is the basic object within this direct-energy Kohn-Sham method and needs to be approximated. To facilitate approximations, several constraints to the augmented Kohn-Sham potential are presented.

Electronic structures of AlMoO(y)(-) (y = 1-4) determined by photoelectron spectroscopy and density functional theory calculations.

PubMed

Waller, Sarah E; Mann, Jennifer E; Hossain, Ekram; Troyer, Mary; Jarrold, Caroline C

2012-07-14

Vibrationally-resolved photoelectron spectra of AlMoO(y)(-) (y = 1-4) are presented and analyzed in conjunction with density functional theory computational results. The structures determined for the AlMoO(y) anion and neutral clusters suggest ionic bonding between Al(+) and a MoO(y)(-) or MoO(y)(-2) moiety, and point to the relative stability of Mo=O versus Al=O bonds. The highest occupied and partially occupied orbitals in the anions and neutrals can be described as Mo atomic-like orbitals, so while the Mo is in a higher oxidation state than Al, the most energetically accessible electrons are localized on the molybdenum center.

Rational Use of Land Resource During the Implementation of Transportless System of Coal Strata Surface Mining

NASA Astrophysics Data System (ADS)

Gvozdkova, T.; Tyulenev, M.; Zhironkin, S.; Trifonov, V. A.; Osipov, Yu M.

2017-01-01

Surface mining and open pits engineering affect the environment in a very negative way. Among other pollutions that open pits make during mineral deposits exploiting, particular problem is the landscape changing. Along with converting the land into pits, surface mining is connected with pilling dumps that occupy large ground. The article describes an analysis of transportless methods of several coal seams strata surface mining, applied for open pits of South Kuzbass coal enterprises (Western Siberia, Russia). To improve land-use management of open pit mining enterprises, the characteristics of transportless technological schemes for several coal seams strata surface mining are highlighted and observed. These characteristics help to systematize transportless open mining technologies using common criteria that characterize structure of the bottom part of a strata and internal dumping schemes. The schemes of transportless systems of coal strata surface mining implemented in South Kuzbass are given.

Manipulating the dipole layer of polar organic molecules on metal surfaces via different charge-transfer channels

NASA Astrophysics Data System (ADS)

Lin, Meng-Kai; Nakayama, Yasuo; Zhuang, Ying-Jie; Wang, Chin-Yung; Pi, Tun-Wen; Ishii, Hisao; Tang, S.-J.

The key properties of organic films such as energy level alignment (ELA), work functions, and injection barriers are closely linked to this dipole layer. Using angle resolved photoemission spectroscopy (ARPES), we systemically investigate the coverage-dependent work functions and spectra line shapes of occupied molecular orbital states of a polar molecule, chloroaluminium phthalocyanine (ClAlPc), grown on Ag(111) to show that the orientations of the first ClAlPc layer can be manipulated via the molecule deposition rate and post annealing, causing ELA at organic-metal interface to differ for about 0.3 eV between Cl-up and Cl-down configuration. Moreover, by comparing the experimental results with the calculations based on both gas-phase model and realistic model of ClAlPc on Ag(111) , we evidence that the different orientations of ClAlPc dipole layers lead to different charge-transfer channels between ClAlPc and Ag, a key factor that controls the ELA at organic-metal interface.

Study on Finite Element Method of Stress Field in Aluminum Alloy High-Speed Milling Process

NASA Astrophysics Data System (ADS)

Zhang, Wei; Li, Shunming; Wu, Qijun; An, Zenghui

2017-11-01

Three-dimensional numerical simulation model has been built by means of Advantage FEM. Perform simulation the stress fields of 7050-T7451 aluminum alloy in high speed milling process at the speed range of 628 m/min∼5946 m/min. The dynamic change and speed’s influence of stress fields and residual stress in machined layer is systematically analyzed. Some conclusions were drawn. With the cutting process development, the stress field converts to the stress state that crushing stress occupies a leading position. The magnitudes of crushing stress in all directions reduce with milling processes as the effect of Thermal-Mechanical-Coupled weakens; With the cutting speed increasing the magnitudes of crushing stress in all directions fluctuate near -950Mpa first, and then increase at the speed of 3000m/min; The residual pulling stress beneath the surface 0.03mm has been found and the magnitude increases with the cutting speed. A good agreement was obtained between predictions and experiments.

A Theoretical Study on N'-[(Z)-(4-Methylphenyl)Methylidene]-4-Nitrobenzohydrazide (NMPMN)

NASA Astrophysics Data System (ADS)

Okur, Muhammet; Albayrak, Nazmiye; Tamer, Ömer; Avcı, Davut; Atalay, Yusuf

2018-05-01

Quantum mechanical calculations of ground state energy, vibration wavenumbers, and electronic absorption wavelengths of N'-[(Z)-(4-methylphenyl)methylidene]-4-nitrobenzohydrazide with C15H13N3O3 empirical formula was performed by using Gaussian 09 program. Becke's three-parameter exchange functional in conjunction with the Lee-Yang-Parr correlation functional and Heyd-Scuseria-Ernzerhof functional levels of density functional theory (DFT) with the 6-311++G(d,p) basis set were used in the performing of above mentioned calculations. The highest occupied and lowest unoccupied molecular orbital (HOMO and LUMO) energies have been also calculated at the same levels. Stability of the molecule arising from hyperconjugative interactions and charge delocalization has been analyzed using natural bond orbital (NBO) analysis. Nonlinear optical (NLO) behavior of the title molecule has been examined by the determining of electric dipole moment (μ), polarizability (α), and static first-order hyperpolarizability (β). Finally, molecular electrostatic potential (MEP) surface as well as Mulliken and NBO atomic charges were calculated by using Gaussian 09 program.

Nitrous oxide as a dynamical tracer in the 1987 Airborne Antarctic Ozone Experiment

NASA Technical Reports Server (NTRS)

Loewenstein, M.; Podolske, J. R.; Chan, K. R.; Strahan, S. E.

1989-01-01

In situ N2O measurements were made using an airborne tunable laser absorption spectrometer (ATLAS) on 12 flights into the Antarctic vortex, as well as on five transit flights outside the vortex region in August and September 1987, as part of the Airborne Antartic Ozone Experiment. Vertical profiles of N2O were obtained within the vortex on most of these flights and were obtained outside the vortex on several occasions. Flights into the vortex region show N2O decreasing southward between 53 and 72 S latitude on constant potential temperature surfaces in the lower stratosphere. The data lead to two important conclusions about the vortex region: (1) the lower stratosphere in August/September 1987 was occupied by 'old' air, which had subsided several kilometers during polar winter; (2) the N2O profile in the vortex was in an approximately steady state in August/September 1987, which indicates that the spring upwelling, suggested by several theories, did not occur.

Microscopic origin of magnetism and magnetic interactions in ferropnictides

NASA Astrophysics Data System (ADS)

Johannes, M. D.; Mazin, I. I.

2009-06-01

One year after their initial discovery, two schools of thought have crystallized regarding the electronic structure and magnetic properties of ferropnictide systems. One postulates that these are itinerant weakly correlated metallic systems that become magnetic by virtue of spin-Peierls-type transition due to near nesting between the hole and the electron Fermi-surface pockets. The other argues that these materials are strongly or at least moderately correlated and the electrons are considerably localized and close to a Mott-Hubbard transition, with the local magnetic moments interacting via short-range superexchange. In this Rapid Communication we argue that neither picture is fully correct. The systems are moderately correlated but with correlations driven by Hund’s rule coupling rather than by the on-site Hubbard repulsion. The iron moments are largely local, driven by Hund’s intra-atomic exchange. Superexchange is not operative, and the interactions between the Fe moments are considerably long range and driven mostly by one-electron energies of all occupied states.

Rotor-stator molecular crystals of fullerenes with cubane.

PubMed

Pekker, Sándor; Kováts, Eva; Oszlányi, Gábor; Bényei, Gyula; Klupp, Gyöngyi; Bortel, Gábor; Jalsovszky, István; Jakab, Emma; Borondics, Ferenc; Kamarás, Katalin; Bokor, Mónika; Kriza, György; Tompa, Kálmán; Faigel, Gyula

2005-10-01

Cubane (C8H8) and fullerene (C60) are famous cage molecules with shapes of platonic or archimedean solids. Their remarkable chemical and solid-state properties have induced great scientific interest. Both materials form polymorphic crystals of molecules with variable orientational ordering. The idea of intercalating fullerene with cubane was raised several years ago but no attempts at preparation have been reported. Here we show that C60 and similarly C70 form high-symmetry molecular crystals with cubane owing to topological molecular recognition between the convex surface of fullerenes and the concave cubane. Static cubane occupies the octahedral voids of the face-centred-cubic structures and acts as a bearing between the rotating fullerene molecules. The smooth contact of the rotor and stator molecules decreases significantly the temperature of orientational ordering. These materials have great topochemical importance: at elevated temperatures they transform to high-stability covalent derivatives although preserving their crystalline appearance. The size-dependent molecular recognition promises selective formation of related structures with higher fullerenes and/or substituted cubanes.

A Call to Lead

ERIC Educational Resources Information Center

Hamilton, Kendra

2006-01-01

Imam Yahya Hendi came from afar--the occupied Palestinian Territories--to become, in 1999, the first full-time Muslim chaplain serving at a university in the United States. He is now the chaplain at Georgetown University. Rumee Ahmed, appointed earlier this year as Brown University's first Muslim chaplain, had a significantly shorter trip, moving…

Medusahead invasion along unimproved roads, animal trails, and random transects

USDA-ARS?s Scientific Manuscript database

Medusahead, an exotic annual grass, is rapidly spreading and causing ecological damage across the western United States. It is critical that land managers prioritize where they direct treatment and monitoring efforts due to the vast areas this exotic plant occupies and the limited amount of resourc...

Pines

Treesearch

C. Dana Nelson; Gary F. Peter; Steven E. McKeand; Eric J. Jokela; Robert B. Rummer; Les Groom; Kurt H. Johnsen

2013-01-01

The southern pines (yellow or hard pines, Genus Pinus Sub-genus Pinus Section Pinus Subsection Australes) occupy an immense land-base in the southeastern region of the United States (Little and Critchfield, 1969). In addition, they are planted and managed for wood production on millions of hectares worldwide including China, Brazil, Argentina, and Australia. The...

Restoration of Longleaf Pine Ecosystems

Treesearch

Dale G. Brockway; Kenneth W. Outcalt; Donald J. Tomczak; Everett E. Johnson

2005-01-01

Longleaf pine (Pinus palustris) ecosystems once occupied 38 million ha in the Southeastern United States, occurring as forests, woodlands, and savannas on a variety of sites ranging from wet flatwoods to xeric sandhills and rocky mountainous ridges. Characterized by an open parklike structure, longleaf pine ecosystems are a product of frequent fires...

The Colour of the Noble Metals.

ERIC Educational Resources Information Center

Poole, R. T.

1983-01-01

Examines the physical basis for colors of noble metals (copper, silver, gold) developed from energy conservation/quantum mechanical view of free electron photoabsorption. Describes production of absorption edges produced by change in density of occupied valence electron states in the d-band, which allows stronger absorption in the visible photon…

18 CFR 5.1 - Applicability, definitions, and requirement to consult.

Code of Federal Regulations, 2014 CFR

2014-04-01

... ENERGY REGULATORY COMMISSION, DEPARTMENT OF ENERGY REGULATIONS UNDER THE FEDERAL POWER ACT INTEGRATED... an existing project subject to Sections 14 and 15 of the Federal Power Act; or (3) Subsequent license..., the Federal agency administering any United States lands utilized or occupied by the project, the...

18 CFR 5.1 - Applicability, definitions, and requirement to consult.

Code of Federal Regulations, 2012 CFR

2012-04-01

... ENERGY REGULATORY COMMISSION, DEPARTMENT OF ENERGY REGULATIONS UNDER THE FEDERAL POWER ACT INTEGRATED... an existing project subject to Sections 14 and 15 of the Federal Power Act; or (3) Subsequent license..., the Federal agency administering any United States lands utilized or occupied by the project, the...

AGRICULTURAL EDUCATION. (TITLE SUPPLIED).

ERIC Educational Resources Information Center

1966

AGRICULTURE IS THE MOST BASIC INDUSTRY IN THE UNITED STATES AND, AS OUR SOURCE OF FOOD, FEED, AND FIBER, OCCUPIES A KEY ROLE IN THE ECONOMY OF THE COUNTRY. CHANGING DEMANDS AND SCIENTIFIC DEVELOPMENTS HAVE CREATED A NEED FOR INCREASED EMPHASIS ON TRAINING INDIVIDUALS FOR EMPLOYMENT IN THE TOTAL INDUSTRY OF AGRICULTURE. THESE CHANGES HAVE…

Longleaf Pine Ecosystem Restoration: The Role of Fire

Treesearch

James P. Barnett

1999-01-01

Longleaf pine (Pinus pulustris Mill.) ecosystems once occupied over 36 million hectares in the southeastern United States lower coastal plain. These fire-dependent ecosystems dominated a wide range of coastal plain sites, including dry uplands and low, wet flatlands. Today, less than 1.3 million hectares remain, but these ecosystems represent...

40 CFR 745.326 - Renovation: State and Tribal program requirements.

Code of Federal Regulations, 2012 CFR

2012-07-01

...) TOXIC SUBSTANCES CONTROL ACT LEAD-BASED PAINT POISONING PREVENTION IN CERTAIN RESIDENTIAL STRUCTURES... distribution of lead hazard information to owners and occupants of target housing and child-occupied facilities... sampling to be performed by a certified lead-based paint inspector or risk assessor. (ii) Procedures and...

40 CFR 745.326 - Renovation: State and Tribal program requirements.

Code of Federal Regulations, 2013 CFR

2013-07-01

...) TOXIC SUBSTANCES CONTROL ACT LEAD-BASED PAINT POISONING PREVENTION IN CERTAIN RESIDENTIAL STRUCTURES... distribution of lead hazard information to owners and occupants of target housing and child-occupied facilities... sampling to be performed by a certified lead-based paint inspector or risk assessor. (ii) Procedures and...

40 CFR 745.326 - Renovation: State and Tribal program requirements.

Code of Federal Regulations, 2014 CFR

2014-07-01

...) TOXIC SUBSTANCES CONTROL ACT LEAD-BASED PAINT POISONING PREVENTION IN CERTAIN RESIDENTIAL STRUCTURES... distribution of lead hazard information to owners and occupants of target housing and child-occupied facilities... sampling to be performed by a certified lead-based paint inspector or risk assessor. (ii) Procedures and...

Introduction

Treesearch

Norbert V. DeByle; Robert P. Winokur

1985-01-01

Quaking or trembling aspen (Populus tremuloides Michx.) is the only aspen in western North America. Therefore, in this part of the continent, it is commonly and correctly referred to simply as "aspen". Throughout much of the interior West, it is the only upland hardwood. Aspen occupies millions of acres, and, in some states, it is the most...

Fire, native species, and soil resource interactions influence the spatio-temporal invasion pattern of Bromus tectorum

Treesearch

Michael J. Gundale; Steve Sutherland; Thomas H. DeLuca; others

2008-01-01

Bromus tectorum (cheatgrass) is an invasive annual that occupies perennial grass and shrub communities throughout the western United States. Bromus tectorum exhibits an intriguing spatio-temporal pattern of invasion in low elevation ponderosa pine Pinus ponderosa/bunchgrass communities in western Montana where it...

Neo-Liberalism and the Politics of Higher Education Policy in Indonesia

ERIC Educational Resources Information Center

Rosser, Andrew

2016-01-01

This paper examines Indonesia's experience with neo-liberal higher education reform. It argues that this agenda has encountered strong resistance from the dominant predatory political, military, and bureaucratic elements who occupy the state apparatus, their corporate clients, and popular forces, leading to continuation of the centralist and…

Stories for Language Revitalization in Nahuatl and Chichimeca.

ERIC Educational Resources Information Center

Francis, Norbert; Nieto Andrade, Rafael

Central Mexico is home to over 20 indigenous languages whose speakers still occupy their original ancestral communities. In this region, acute language conflict between Native languages and Spanish, the official state language, greatly affects elementary school students such as those in San Isidro Buensuceso Tlaxcala and Mision de Chichimecas in…

Photoelectron Diffraction from Valence States of Oriented Molecules

NASA Astrophysics Data System (ADS)

Krüger, Peter

2018-06-01

The angular distribution of photoelectrons emitted from valence states of oriented molecules is investigated. The principles underlying the angular pattern formation are explained in terms of photoelectron wave interference, caused by initial state delocalization and final state photoelectron scattering. Computational approaches to photoelectron spectroscopy from molecules are briefly reviewed. Here a combination of molecular orbital calculations for the initial state and multiple scattering theory for the photoelectron final state is used and applied to the 3σ and 4σ orbitals of nitrogen and the highest occupied molecular orbital of pentacene. Appreciable perpendicular emission and circular dichroism in angular distributions is found, two effects that cannot be described by the popular plane wave approximation to the photoelectron final state.

Mississippi Sound remote sensing study. [NASA Earth Resources Laboratory seasonal experiments

NASA Technical Reports Server (NTRS)

Atwell, B. H.; Thomann, G. C.

1973-01-01

A study of the Mississippi Sound was initiated in early 1971 by personnel of NASA Earth Resources Laboratory. Four separate seasonal experiments consisting of quasi-synoptic remote and surface measurements over the entire area were planned. Approximately 80 stations distributed throughout Mississippi Sound were occupied. Surface water temperature and secchi extinction depth were measured at each station and water samples were collected for water quality analyses. The surface distribution of three water parameters of interest from a remote sensing standpoint - temperature, salinity and chlorophyll content - are displayed in map form. Areal variations in these parameters are related to tides and winds. A brief discussion of the general problem of radiative measurements of water temperature is followed by a comparison of remotely measured temperatures (PRT-5) to surface vessel measurements.

Investigating Continental Margins: An Activity to Help Students Better Understand the Continental Margins of North America

ERIC Educational Resources Information Center

Poli, Maria-Serena; Capodivacca, Marco

2011-01-01

Continental margins are an important part of the ocean floor. They separate the land above sea level from the deep ocean basins below and occupy about 11% of Earth's surface. They are also economically important, as they harbor both mineral resources and some of the most valuable fisheries in the world. In this article students investigate North…

Holocene soil-geomorphic surfaces influence the role of salmon-derived nutrients in the coastal temperate rainforest of Southeast Alaska

Treesearch

David V. D' Amore; Nicholas S. Bonzey; Jacob Berkowitz; Janine Rüegg; Scott Bridgham

2011-01-01

The influence of salmon-derived nutrients (SDN) is widely accepted as a potential factor in the maintenance of aquatic and terrestrial productivity in North American Coastal rainforests. Holocene alluvial landforms are intimately connected with the return of anadromous salmon, but the influence of the soils that occupy these landforms and support this important...

Double diffusive conjugate heat transfer: Part III

NASA Astrophysics Data System (ADS)

Soudagar, Manzoor Elahi M.; Azeem

2018-05-01

The placement of a small solid wall towards cold surface of square porous cavity affects the heat transfer behavior of porous region due to restriction of fluid motion in the region occupied by solid wall. An investigation of heat transfer is carried out to understand the fluid flow and heat transfer behavior in porous cavity by solving the governing partial differential equations. Galerkin's approach is used to convert the partial differential equations into algebraic form of equations by applying finite element method. The heat transfer increases for solid towards right surface as compared to the case of solid at center of cavity.

Transcription factor FoxA (HNF3) on a nucleosome at an enhancer complex in liver chromatin.

PubMed

Chaya, D; Hayamizu, T; Bustin, M; Zaret, K S

2001-11-30

Nucleosome-like particles and acetylated histones occur near active promoters and enhancers, and certain transcription factors can recognize their target sites on the surface of a nucleosome in vitro; yet it has been unclear whether transcription factors can occupy target sites on nucleosomes in native chromatin. We developed a method for sequential chromatin immunoprecipitation of distinct nuclear proteins that are simultaneously cross-linked to nucleosome-sized genomic DNA segments. We find that core histone H2A co-occupies, along with the FoxA (hepatocyte nuclear factor-3) transcription factor, DNA for the albumin transcriptional enhancer in native liver chromatin, where the enhancer is active. Because histone H2A on nuclear DNA is only known to exist in nucleosomes, we conclude that transcription factors can form a stable complex on nucleosomes at an active enhancer element in vivo.

Rogue waves generation via nonlinear soliton collision in multiple-soliton state of a mode-locked fiber laser.

PubMed

Peng, Junsong; Tarasov, Nikita; Sugavanam, Srikanth; Churkin, Dmitry

2016-09-19

We report for the first time, rogue waves generation in a mode-locked fiber laser that worked in multiple-soliton state in which hundreds of solitons occupied the whole laser cavity. Using real-time spatio-temporal intensity dynamics measurements, it is unveiled that nonlinear soliton collision accounts for the formation of rogue waves in this laser state. The nature of interactions between solitons are also discussed. Our observation may suggest similar formation mechanisms of rogue waves in other systems.

On the Use of a Mixed Gaussian/Finite-Element Basis Set for the Calculation of Rydberg States

NASA Technical Reports Server (NTRS)

Thuemmel, Helmar T.; Langhoff, Stephen (Technical Monitor)

1996-01-01

Configuration-interaction studies are reported for the Rydberg states of the helium atom using mixed Gaussian/finite-element (GTO/FE) one particle basis sets. Standard Gaussian valence basis sets are employed, like those, used extensively in quantum chemistry calculations. It is shown that the term values for high-lying Rydberg states of the helium atom can be obtained accurately (within 1 cm -1), even for a small GTO set, by augmenting the n-particle space with configurations, where orthonormalized interpolation polynomials are singly occupied.

Hydrological Response to Land Cover Changes and Human Activities in Arid Regions Using a Geographic Information System and Remote Sensing

PubMed Central

Mahmoud, Shereif H.; Alazba, A. A.

2015-01-01

The hydrological response to land cover changes induced by human activities in arid regions has attracted increased research interest in recent decades. The study reported herein assessed the spatial and quantitative changes in surface runoff resulting from land cover change in the Al-Baha region of Saudi Arabia between 1990 and 2000 using an ArcGIS-surface runoff model and predicted land cover and surface runoff depth in 2030 using Markov chain analysis. Land cover maps for 1990 and 2000 were derived from satellite images using ArcGIS 10.1. The findings reveal a 26% decrease in forest and shrubland area, 28% increase in irrigated cropland, 1.5% increase in sparsely vegetated land and 0.5% increase in bare soil between 1990 and 2000. Overall, land cover changes resulted in a significant decrease in runoff depth values in most of the region. The decrease in surface runoff depth ranged from 25-106 mm/year in a 7020-km2 area, whereas the increase in such depth reached only 10 mm/year in a 243-km2 area. A maximum increase of 73 mm/year was seen in a limited area. The surface runoff depth decreased to the greatest extent in the central region of the study area due to the huge transition in land cover classes associated with the construction of 25 rainwater harvesting dams. The land cover prediction revealed a greater than twofold increase in irrigated cropland during the 2000-2030 period, whereas forest and shrubland are anticipated to occupy just 225 km2 of land area by 2030, a significant decrease from the 747 km2 they occupied in 2000. Overall, changes in land cover are predicted to result in an annual increase in irrigated cropland and dramatic decline in forest area in the study area over the next few decades. The increase in surface runoff depth is likely to have significant implications for irrigation activities. PMID:25923712

Breakage mechanics for granular materials in surface-reactive environments

NASA Astrophysics Data System (ADS)

Zhang, Yida; Buscarnera, Giuseppe

2018-03-01

It is known that the crushing behaviour of granular materials is sensitive to the state of the fluids occupying the pore space. Here, a thermomechanical theory is developed to link such macroscopic observations with the physico-chemical processes operating at the microcracks of individual grains. The theory relies on the hypothesis that subcritical fracture propagation at intra-particle scale is the controlling mechanism for the rate-dependent, water-sensitive compression of granular specimens. First, the fracture of uniaxially compressed particles in surface-reactive environments is studied in light of irreversible thermodynamics. Such analysis recovers the Gibbs adsorption isotherm as a central component linking the reduction of the fracture toughness of a solid to the increase of vapour concentration. The same methodology is then extended to assemblies immersed in wet air, for which solid-fluid interfaces have been treated as a separate phase. It is shown that this choice brings the solid surface energy into the dissipation equations of the granular matrix, thus providing a pathway to (i) integrate the Gibbs isotherm with the continuum description of particle assemblies and (ii) reproduce the reduction of their yield strength in presence of high relative humidity. The rate-effects involved in the propagation of cracks and the evolution of breakage have been recovered by considering non-homogenous dissipation potentials associated with the creation of surface area at both scales. It is shown that the proposed model captures satisfactorily the compression response of different types of granular materials subjected to varying relative humidity. This result was achieved simply by using parameters based on the actual adsorption characteristics of the constituting minerals. The theory therefore provides a physically sound and thermodynamically consistent framework to study the behaviour of granular solids in surface-reactive environments.

Effect of Coadsorbed Water on the Photodecomposition of Acetone on TiO2(110)

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

Henderson, Michael A.

2008-06-10

The influence of coadsorbed water on the photodecomposition of acetone on TiO2 was examined using temperature programmed desorption (TPD) and the rutile TiO2(110) surface as a model photocatalyst. Of the two major influences ascribed to water in the heterogeneous photocatalysis literature (promotion via OH radical supply and inhibition due to site blocking), only the negative influence of water was observed. As long as the total water and acetone coverage was maintained well below the first layer saturation coverage (‘1 ML’), little inhibition of acetone photodecomposition was observed. However, as the total water+acetone coverage exceeded 1 ML, acetone was preferentially displacedmore » from the first layer to physisorbed states by water and the extent of acetone photodecomposition attenuated. The displacement originated from water compressing acetone into high coverage regions where increased acetone-acetone repulsions caused displacement from the first layer. The immediate product of acetone photodecomposition was adsorbed acetate, which occupies twice as many surface sites per molecule as compared to acetone. Since the acetate intermediate was more stable on the TiO2(110) surface than either water or acetone (as gauged by TPD) and since its photodecomposition rate was less than that of acetone, additional surface sites were not opened up during acetone photodecomposition for previously displaced acetone molecules to re-enter the first layer. Results in this study suggest that increased molecular-level repulsions between organic molecules brought about by increased water coverage are as influential in the inhibiting effect of water on photooxidation rates as are water-organic repulsions.« less

Method for Location of An External Dump in Surface Mining Using the A-Star Algorithm

NASA Astrophysics Data System (ADS)

Zajączkowski, Maciej; Kasztelewicz, Zbigniew; Sikora, Mateusz

2014-10-01

The construction of a surface mine always involves the necessity of accessing deposits through the removal of the residual overburden above. In the beginning phase of exploitation, the masses of overburden are located outside the perimeters of the excavation site, on the external dump, until the moment of internal dumping. In the case of lignite surface mines, these dumps can cover a ground surface of several dozen to a few thousand hectares. This results from a high concentration of lignite extraction, counted in millions of Mg per year, and the relatively large depth of its residual deposits. Determining the best place for the location of an external dump requires a detailed analysis of existing options, followed by a choice of the most favorable one. This article, using the case study of an open-cast lignite mine, presents the selection method for an external dump location based on graph theory and the A-star algorithm. This algorithm, based on the spatial distribution of individual intersections on the graph, seeks specified graph states, continually expanding them with additional elementary fields until the required surface area for the external dump - defined by the lowest value of the occupied site - is achieved. To do this, it is necessary to accurately identify the factors affecting the choice of dump location. On such a basis, it is then possible to specify the target function, which reflects the individual costs of dump construction on a given site. This is discussed further in chapter 3. The area of potential dump location has been divided into elementary fields, each represented by a corresponding geometrical locus. Ascribed to this locus, in addition to its geodesic coordinates, are the appropriate attributes reflecting the degree of development of its elementary field. These tasks can be carried out automatically thanks to the integration of the method with the system of geospatial data management for the given area. The collection of loci, together with geodesic coordinates, constitutes the points on the graph used during exploration. This is done using the A-star algorithm, which uses a heuristic function, allowing it to identify the optimal solution; therefore, the collection of elementary fields, which occupy the potential construction area of a dump, characterized by the lowest value representing the cost of occupation and dumping of overburden in the area. The precision of the boundary, generated by the algorithm, is dependent on the established size of the elementary field, and should be refined each time by the designer of the surface mine. This article presents the application of the above method of dump location using the example of "Tomisławice," a lignite surface mine owned by PAK KWB Konin S. A. The method made it possible to identify the most favorable dump location on the northeast side of the initial pit, within 2 kilometers of its surrounding area (discussed further in chapter 3). This method is universal in nature and, after certain modifications, can be implemented for other surface mines as well.

Lunar Obliquity History Revisited

NASA Astrophysics Data System (ADS)

Siegler, M.; Bills, B.; Paige, D.

2007-12-01

In preparation for a LRO (Lunar Reconnaissance Orbiter) related study of possible lunar polar volatiles, we re- examined the lunar orbital and rotational history, with primary focus on the obliquity history of the Moon. Though broad models have been made of lunar obliquity, a cohesive obliquity history was not found. We report on a new model of lunar obliquity including secular changes in inclination of the lunar orbit, tidal dissipation, lunar moments of inertia, and details for periods outside of the stable configurations known as Cassini states. For planets, the obliquity, or angle between the spin and orbit poles, is the dominant control on incident solar radiation. For planetary satellites, the radiation pattern can be more complex, as it depends on the mutual inclinations of three poles; the satellite spin and orbit poles, and the planetary heliocentric orbit pole. Presently, the lunar spin pole and orbit pole co-precess about the ecliptic pole, in a stable situation known as a Cassini state. As a result, permanently shadowed regions near the poles are expected to exist and act as cold traps, retaining water or other volatiles delivered to the surface by comets, solar wind, or via outgassing of the lunar interior. However, tidally driven secular changes in the lunar semimajor axis cause changes in precession rates of the spin and orbit poles, and thereby alter or destabilize the Cassini states. Only one prograde Cassini state exists at present (state 2). In the standard Cassini state model of Ward [1975], two other such states would have existed in the past (states 1 and 4) with the Moon starting in the low obliquity state 1, and remaining there until states 1 and 4 merged and disappear, at roughly half the present Earth-Moon distance. At that point, the Moon transitioned into the currently occupied state 2, and briefly attained very high obliquity values during the transition, and then stayed in state 2 until the present. If correct, this model implies that the transition from state 1 to state 2 is the most important event in the histories of lunar obliquity and polar volatiles, as it separates two periods in which current lunar cold traps could have existed with a period of high polar insolation which could have mobilized volatiles into space or to greater depths in the lunar near surface. If incorrect, lunar cold traps may prove only a very recent phenomenon. By including secular orbit changes, our model should help determine if this Cassini state stability really dominated in the past and allow detailed examination of extra-Cassini state periods.

[Analysis of urban forest landscape pattern in Hefei].

PubMed

Wu, Zemin; Wu, Wenyou; Gao, Jian; Zhang, Shaojie

2003-12-01

Based on the theory and methodology of landscape ecology, the landscape pattern of the study area (17.6 km2) in the downtown of Hefei was analyzed by using the techniques of RS, GPS and GIS. The object was to provide a comprehensive method to study urban forest structure and its function in environmental improvement. The results showed that there were 5 major landscape elements, i.e., building and hard pavement surface, water, road, urban forest, and general green land in the area. The landscape matrix was building and pavement surface, occupied 73.13% of total land. Road was the typical corridor element in the city and occupied 6.89%. Green land occupied 11.44%, in which, urban forest patch occupied 9.18%. There were 408 urban forest patches, with an area of 161.16 hm2. The average area of the patch was 0.396 hm2, and the maximum area was 12 hm2. 48% of urban forest patch was identified as small scale patches with < 500 m2 of area, and only 8.6% of them was larger than 1 hm2. The number of general green land patch was 255, with an area of 39.74 hm2, which accounted for 2.26% of land area, and its average and maximum area was 0.1558 hm2 and 3.86 hm2, respectively. There were 147 water patches, with an area of 149.93 hm2, and occupied 8.54% of land, and the average and maximum area of the patch was 1.02 hm2 and 16 hm2, respectively. In the study area, both of the Shannon-Weiner landscape diversity index and evenness were low, only 0.928 and 0.576, respectively. In addition, the dominance of urban forest patch and general green land was 0.39 showing that the two landscape elements had a certain influence on the environment of the study area. The concept of interior habitat for forest was introduced in this paper, which was employed to make a scale class system of urban forest patch. The threshold area with interior habitat for urban forest patch was 9800 m2, and there was 31.69 hm2 of interior habitat of urban forest in total, which occupied 19.7% of the total area of urban forest patch. This situation was not favorable for providing more habitats to support species diversity. It's suggested that the concept of interior habitat could be employed to identify urban forest patch, and a scale system of small scale patch of urban forest-middle patch-large patch-extra large patch was build in the paper. Based on this system, the ratio of different scales of urban forest patch in the study area should be 2:2:2:3. The authors also suggested that larger pieces (1.5-3.0 hm2) of urban forest patch should be built, and more urban forests should be established in the northeastern part of the city in the future.

49 CFR 218.80 - Movement of occupied camp cars.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 49 Transportation 4 2011-10-01 2011-10-01 false Movement of occupied camp cars. 218.80 Section 218... ADMINISTRATION, DEPARTMENT OF TRANSPORTATION RAILROAD OPERATING PRACTICES Protection of Occupied Camp Cars § 218.80 Movement of occupied camp cars. Occupied cars may not be humped or flat switched unless coupled to...

49 CFR 218.80 - Movement of occupied camp cars.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 49 Transportation 4 2012-10-01 2012-10-01 false Movement of occupied camp cars. 218.80 Section 218... ADMINISTRATION, DEPARTMENT OF TRANSPORTATION RAILROAD OPERATING PRACTICES Protection of Occupied Camp Cars § 218.80 Movement of occupied camp cars. Occupied cars may not be humped or flat switched unless coupled to...

49 CFR 218.80 - Movement of occupied camp cars.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 49 Transportation 4 2014-10-01 2014-10-01 false Movement of occupied camp cars. 218.80 Section 218... ADMINISTRATION, DEPARTMENT OF TRANSPORTATION RAILROAD OPERATING PRACTICES Protection of Occupied Camp Cars § 218.80 Movement of occupied camp cars. Occupied cars may not be humped or flat switched unless coupled to...

49 CFR 218.80 - Movement of occupied camp cars.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 49 Transportation 4 2010-10-01 2010-10-01 false Movement of occupied camp cars. 218.80 Section 218... ADMINISTRATION, DEPARTMENT OF TRANSPORTATION RAILROAD OPERATING PRACTICES Protection of Occupied Camp Cars § 218.80 Movement of occupied camp cars. Occupied cars may not be humped or flat switched unless coupled to...

49 CFR 218.80 - Movement of occupied camp cars.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 49 Transportation 4 2013-10-01 2013-10-01 false Movement of occupied camp cars. 218.80 Section 218... ADMINISTRATION, DEPARTMENT OF TRANSPORTATION RAILROAD OPERATING PRACTICES Protection of Occupied Camp Cars § 218.80 Movement of occupied camp cars. Occupied cars may not be humped or flat switched unless coupled to...

CCl 4 chemistry on the reduced selvedge of a α-Fe 2O 3(0 0 0 1) surface: a scanning tunneling microscopy study

NASA Astrophysics Data System (ADS)

Rim, Kwang Taeg; Fitts, Jeffrey P.; Müller, Thomas; Adib, Kaveh; Camillone, Nicholas; Osgood, Richard M.; Joyce, S. A.; Flynn, George W.

2003-09-01

Scanning tunneling microscopy (STM) and low energy electron diffraction (LEED) were used to study the degradation of CCl 4 on the reduced selvedge of a natural single crystal α-Fe 2O 3(0 0 0 1) surface in ultrahigh vacuum. Before exposure to CCl 4, STM images indicate that approximately 85% of the reduced surface exhibits a Fe 3O 4(1 1 1) 2 × 2 termination, while the remaining 15% is terminated by 1 × 1 and superstructure phases. Images obtained after room temperature dosing with CCl 4 and subsequent flashing to 600 K reveal that chlorine atoms are adsorbed only on surface regions with the Fe 3O 4(1 1 1) 2 × 2 termination, not on 1 × 1 and superstructure regions. Chlorine atoms from dissociative adsorption of CCl 4 are observed to occupy two distinct positions located atop lattice protrusions and in threefold oxygen vacancy sites. However, in companion chemical labeling experiments, chlorine atoms provided by room temperature, dissociative Cl 2 adsorption on this surface are found to occupy sites atop lattice protrusions exclusively. The clear dissimilarity in STM feature shape and brightness at the two distinct chlorine adsorption sites arising from CCl 4 dissociation as well as the results of the Cl 2 chemical labeling experiments are best explained via reactions on a Fe 3O 4(1 1 1) 2 × 2 selvedge terminated by a 1/4 monolayer of tetrahedrally coordinated iron atoms. On this surface, adsorption atop an iron atom occurs for both the CCl 4 and Cl 2 dissociative reactions. A second adsorption site, assigned as binding to second layer iron atoms left exposed following surface oxygen atom abstraction resulting in the formation of phosgene (COCl 2), only appears in the case of reaction with CCl 4. The reaction mechanism and active site requirements for CCl 4 degradation on iron oxide surfaces are discussed in light of this evidence and in the context of our previously reported results from Auger electron spectroscopy (AES), LEED, temperature-programmed desorption (TPD), and X-ray photoelectron spectroscopy studies.

Reliable Refuge: Two Sky Island Scorpion Species Select Larger, Thermally Stable Retreat Sites.

PubMed

Becker, Jamie E; Brown, Christopher A

2016-01-01

Sky island scorpions shelter under rocks and other surface debris, but, as with other scorpions, it is unclear whether these species select retreat sites randomly. Furthermore, little is known about the thermal preferences of scorpions, and no research has been done to identify whether reproductive condition might influence retreat site selection. The objectives were to (1) identify physical or thermal characteristics for retreat sites occupied by two sky island scorpions (Vaejovis cashi Graham 2007 and V. electrum Hughes 2011) and those not occupied; (2) determine whether retreat site selection differs between the two study species; and (3) identify whether thermal selection differs between species and between gravid and non-gravid females of the same species. Within each scorpion's habitat, maximum dimensions of rocks along a transect line were measured and compared to occupied rocks to determine whether retreat site selection occurred randomly. Temperature loggers were placed under a subset of occupied and unoccupied rocks for 48 hours to compare the thermal characteristics of these rocks. Thermal gradient trials were conducted before parturition and after dispersal of young in order to identify whether gravidity influences thermal preference. Vaejovis cashi and V. electrum both selected larger retreat sites that had more stable thermal profiles. Neither species appeared to have thermal preferences influenced by reproductive condition. However, while thermal selection did not differ among non-gravid individuals, gravid V. electrum selected warmer temperatures than its gravid congener. Sky island scorpions appear to select large retreat sites to maintain thermal stability, although biotic factors (e.g., competition) could also be involved in this choice. Future studies should focus on identifying the various biotic or abiotic factors that could influence retreat site selection in scorpions, as well as determining whether reproductive condition affects thermal selection in other arachnids.

Electronic Structure of p- and n-Type Doping Impurities in Cubic Gallium Nitride

NASA Astrophysics Data System (ADS)

Pentaleri, E. A.; Gubanov, V. A.; Fong, C. Y.; Klein, B. M.

1996-03-01

LMTO-TB calculations were performed to investigate the electronic structure of C, Be, Mg, Si, Zn, and Cd substitutional impurities in cubic GaN (c-GaN). The calculations used 128-site supercells consisting of 64-atoms. Empty spheres of two types occupied the remaining sites. Semi-core Ga 3d states were treated explicitly as valence states. Both amphoteric substitutions were considered for C and Si impurities, while only cation-site substitutions were considered for Be, Mg, Zn, and Cd. All metal impurities formed partially occupied impurity states at the VB edge, which may result in p-type conductivity. C and Si impurities substituted at anion sites form sharp resonances in the gap, and are inactive in creating either p- or n-type carriers. Likewise, cation-site C substitutions introduce to the middle of the band gap strongly localized states that are inactive in carrier formation. Cation-site Si substitutions form an impurity sub-band at the CB edge, leading to n-type conductivity. The DOS at the Fermi level for each impurity-doped c-GaN crystal is used to estimate the most effective p-type doping impurities. The wave-function composition, space, and energy localization is analyzed for different impurities via projections onto the orbital basis and atomic coordinational spheres, and by examining calculated charge-density distributions.

Earth Observation

NASA Image and Video Library

2011-06-29

ISS028-E-010162 (29 June 2011) --- Sault Ste Marie, Ontario and Michigan are featured in this image photographed by an Expedition 28 crew member on the International Space Station. The twin cities of Sault Ste Marie are located across the St. Mary?s River that forms part of the international boundary between Canada (Province of Ontario) and the United States (State of Michigan). This photograph highlights the two cities, together with the region of lakes and islands that separates Lakes Huron and Superior, two of the Great Lakes of North America. Smaller lakes include Lake George to the west; the large forested islands of St. Joseph and Drummond are visible at lower left. The Sault Ste Marie urban areas (upper right) have a distinctive gray to white coloration in the image, contrasting with the deep green of forested areas in Ontario and the lighter green of agricultural fields in Michigan. The coloration of water surfaces in the lakes and rivers varies from blue to blue-green to silver, and is likely caused by varying degrees of sediment and sunglint ? light reflecting back to the observer on the space station from the water surface, much as light reflects from a mirror. Prior to formalization of the US/Canada border in 1817, Sault Ste Marie was a single community. Archeological evidence suggests that the region had been occupied by Native Americans at least five hundred years ago. A mission ? the first European settlement in Michigan ? was established there in 1668 by the French Jesuit Father Jacques Marquette. Today, shipping locks and canals in both urban areas are an important part of the Great Lakes shipping traffic system.

Diagnosis according to time of arrival at "The Great New York State Fair".

PubMed

Nacca, Katherine; Scott, Jay; Grant, William

2014-02-01

To study the diagnoses of patients presenting to a medical facility within a mass-gathering public event, "The Great New York State Fair" (NYSF) based on chief complaints, diagnoses, and time of arrival. The goal of the study was to assess the need for increased staffing, services, or supplies during certain times of day for an event that gathers approximately 1 million patrons over a 12-day span. Patrons occupy the grounds between the hours of 10 am and 11 pm, while workers and staff are on the grounds around the clock. Triage data gathered by trained medical students was collected from all of the patients seen during the 2009 NYSF from 12 am to 11:59 pm. Triage information was categorized based on the nature of complaint, physician impression, and time of arrival to assess for trends in the distribution of common chief complaints and diagnoses at a mass-gathering medical care facility. The early hours of the NYSF were occupied mostly with treatment of minor first aid complaints, while later hours were occupied more commonly by orthopedic complaints. Insect stings were the most frequent complaint throughout the day. Daytime and evening hours at the fair have a significant number of orthopedic diagnoses and may benefit from specific staff and equipment sufficient to handle these complaints. Stings and minor first aid injuries are also significant and may benefit from adequate stocking of the infirmary for such events. Major medical complaints, including cardiac and neurological complaints, did occur but were a minor part of the total patient population.

New Approach to Quantum Entanglement According to the Theory of the Harmonicity of the Field of Light

NASA Astrophysics Data System (ADS)

Raftopoulos, Dionysios G.

Werner Heisenberg's well known requirement that Physical Science ought to occupy itself solely with entities that are both observable and measurable, is almost universally accepted. Starting from the above thesis and accepting Albert Einstein's second fundamental hypothesis, as stated in his historical article "On the Electrodynamics of moving Bodies", we are led to the conclusion that the kinematics of a material point, as measured and described by a localized real-life Observer, always refers not to its present position but rather to the one it occupied at a previous moment in time, which we call Conjugate Position, or Retarded Position according to Richard Feynman. From the experimenter's point of view, only the Conjugate position is important. Thus, the moving entity is observed and measured at a position that is different to the one it occupies now, a conclusion eerily evocative of the "shadows" paradigm in Plato's Cave Allegory. This, i.e. the kinematics of the Conjugate Position, is analytically described by the "Theory of Harmonicity of the Field of Light". Having selected the Projective Space as its Geometrical space of choice, an important conclusion of this theory is that, for a localized Observer, a linearly moving object is possible to appear simultaneously at two different positions and, consequently, at two different states in the Observer's Perceptible Space. This conclusion leads to the formulation of at least two fundamental theorems as well as to a plethora of corollaries all in accordance with the notions of contemporary Quantum Mechanics. A new form of the Unified Field of Light is presented.

Decompressive hemicraniectomy in a space-occupying presentation of hemiconvulsion-hemiplegia-epilepsy syndrome.

PubMed

Berhouma, Moncef; Chekili, Ridha; Brini, Ines; Kchir, Nidhameddine; Jemel, Hafedh; Bousnina, Souad; Khaldi, Moncef

2007-12-01

A case of an acute life-threatening presentation of hemiconvulsion-hemiplegia-epilepsy (HHE) syndrome requiring an urgent decompressive hemicraniectomy is described. A 9 month-old baby had a status epilepticus following a sustained fever, leading to a comatose state and a right pupillary dilatation associated with a left hemiplegia. The MRI showed a swelling right hemisphere with marked temporal herniation. The baby underwent a decompressive right hemicraniectomy with temporal cortical biopsies. The post-operative course was favourable. The histological findings were unspecific, showing a gliotic spongiosis with disseminated granular cells. The post-operative MRI depicted a right hemisphere atrophy. To our knowledge, a space-occupying presentation of HHE syndrome requiring surgical decompression has never been described before while only a few reports dealt with the neuropathological aspects of this syndrome.

Characterizing seasonal and diel vertical movement and habitat use of lake whitefish (Coregonus clupeaformis) in Clear Lake, Maine

USGS Publications Warehouse

Zydlewski, Joseph D.; Gorsky, Dimitry; Balsey, David

2016-01-01

Seasonal and daily vertical activity of lake whitefish Coregonus clupeaformis was studied in Clear Lake, Maine (253 ha), using acoustic telemetry from November 2004 to June 2009. Twenty adult lake whitefish were tagged with acoustic tags that had either a depth sensor or both depth and temperature sensors to assess vertical habitat use at a seasonal and daily resolution. Vertical habitat selection varied seasonally and was strongly influenced by temperature. Between December and April, when the lake was covered with ice, surface temperature was below 2°C and tagged individuals occupied deep areas of the lake (∼15 m). After ice-out, fish ascended into shallow waters (∼5 m), responding to increased water temperature and possibly to greater foraging opportunity. When surface water temperatures exceeded 20°C, fish descended below the developing thermocline (∼9 m), where they remained until surface temperatures fell below 20°C; fish then ascended into shallower depths, presumably for feeding and spawning. Through the winter, fish remained in thermal habitats that were warmer than the surface temperatures; in the summer, they selected depths with thermal habitats below 15°C. Though the amplitude varied greatly across seasons, lake whitefish displayed a strong diurnal pattern of activity as measured by vertical velocities. Fish were twofold more active during spring, summer, and fall than during winter. Lake whitefish exhibited diel vertical migrations, rising in the water column during nighttime and occupying deeper waters during the day. This pattern was more pronounced in the spring and fall and far less prominent during winter and summer. The strong linkage between temperature and habitat use may limit the current range of lake whitefish and may be directly impacted by climatic change.

Diagnosis of cervical cells based on fractal and Euclidian geometrical measurements: Intrinsic Geometric Cellular Organization

PubMed Central

2014-01-01

Background Fractal geometry has been the basis for the development of a diagnosis of preneoplastic and neoplastic cells that clears up the undetermination of the atypical squamous cells of undetermined significance (ASCUS). Methods Pictures of 40 cervix cytology samples diagnosed with conventional parameters were taken. A blind study was developed in which the clinic diagnosis of 10 normal cells, 10 ASCUS, 10 L-SIL and 10 H-SIL was masked. Cellular nucleus and cytoplasm were evaluated in the generalized Box-Counting space, calculating the fractal dimension and number of spaces occupied by the frontier of each object. Further, number of pixels occupied by surface of each object was calculated. Later, the mathematical features of the measures were studied to establish differences or equalities useful for diagnostic application. Finally, the sensibility, specificity, negative likelihood ratio and diagnostic concordance with Kappa coefficient were calculated. Results Simultaneous measures of the nuclear surface and the subtraction between the boundaries of cytoplasm and nucleus, lead to differentiate normality, L-SIL and H-SIL. Normality shows values less than or equal to 735 in nucleus surface and values greater or equal to 161 in cytoplasm-nucleus subtraction. L-SIL cells exhibit a nucleus surface with values greater than or equal to 972 and a subtraction between nucleus-cytoplasm higher to 130. L-SIL cells show cytoplasm-nucleus values less than 120. The rank between 120–130 in cytoplasm-nucleus subtraction corresponds to evolution between L-SIL and H-SIL. Sensibility and specificity values were 100%, the negative likelihood ratio was zero and Kappa coefficient was equal to 1. Conclusions A new diagnostic methodology of clinic applicability was developed based on fractal and euclidean geometry, which is useful for evaluation of cervix cytology. PMID:24742118

Sustaining dry surfaces under water

PubMed Central

Jones, Paul R.; Hao, Xiuqing; Cruz-Chu, Eduardo R.; Rykaczewski, Konrad; Nandy, Krishanu; Schutzius, Thomas M.; Varanasi, Kripa K.; Megaridis, Constantine M.; Walther, Jens H.; Koumoutsakos, Petros; Espinosa, Horacio D.; Patankar, Neelesh A.

2015-01-01

Rough surfaces immersed under water remain practically dry if the liquid-solid contact is on roughness peaks, while the roughness valleys are filled with gas. Mechanisms that prevent water from invading the valleys are well studied. However, to remain practically dry under water, additional mechanisms need consideration. This is because trapped gas (e.g. air) in the roughness valleys can dissolve into the water pool, leading to invasion. Additionally, water vapor can also occupy the roughness valleys of immersed surfaces. If water vapor condenses, that too leads to invasion. These effects have not been investigated, and are critically important to maintain surfaces dry under water. In this work, we identify the critical roughness scale, below which it is possible to sustain the vapor phase of water and/or trapped gases in roughness valleys – thus keeping the immersed surface dry. Theoretical predictions are consistent with molecular dynamics simulations and experiments. PMID:26282732

A structural study of the K adsorption site on a Si(001)2 × 1 surface: Dimer, caves or both

NASA Astrophysics Data System (ADS)

Asensio, M. C.; Michel, E. G.; Alvarez, J.; Ocal, C.; Miranda, R.; Ferrer, S.

1989-04-01

The atomic structure of the clean Si(100) and K covered surfaces has been investigated by Auger electron diffraction (AED) monitoring the intensities along polar scans. This technique is sensitive to the asymmetric-dimer nature of the 2 × 1 reconstruction of the Si(001) surface. Data taken at room temperature for submonolayer coverages are consistent with adsorption of K on the troughs (cave position) existing between two consecutive dimer chains along the [110] direction. At 110 K both dimer and cave sites are occupied. A mild annealing to 300 K produces an overlayer redistribution in favor of the "cave" site further indicating that this site is energetically favoured as found in some recent calculations.

Deep-coal potential in the Appalachian Coal Basin, USA: The Kentucky model

USGS Publications Warehouse

Haney, D.C.; Chesnut, D.R.

1997-01-01

The Eastern Kentucky Coal Field is located in the Appalachian Basin of the United States and occupies an area of approximately 15,000 square kilometers. The coal beds range from a few centimeters to several meters in thickness and consist of high-grade bituminous coal. Currently the amount of coal mined by surface methods exceeds underground extraction; however, there is a steady and gradual shift toward underground mining. In the future, as near-surface resources are depleted, this trend toward increased underground mining will continue. Knowledge about deeper coals is essential for future economic development of resources. Preliminary investigations indicate that coal-bearing strata with deep-mining potential exist in several parts of eastern Kentucky, especially along the Eastern Kentucky Syncline. Eastern Kentucky coals are Westphalian A through D; however, current production is from major beds of Westphalian A and B. Because coals that occur above drainage are more easily accessible and are generally of better quality, most of the current mining takes place in formations that are at or near the surface. In the future, however, due to environmental regulations and increased demands, it will be necessary to attempt to utilize deeper coals about which little is known. Future development of deep resources will require data from boreholes and high-resolution geophysical-logging techniques. There is also potential for coal-bed methane from the deeper coals which could be an important resource in the Appalachian Coal Basin where a natural gas distribution system already exists.

The peaks of eternal light: A near-term property issue on the moon

NASA Astrophysics Data System (ADS)

Elvis, M.; Milligan, T.; . Krolikowski, A.

2016-12-01

The Outer Space Treaty makes it clear that the Moon is the 'province of all mankind', with the latter ordinarily understood to exclude state or private appropriation of any portion of its surface. However, there are indeterminacies in the Treaty and in space law generally over the issue of appropriation. These indeterminacies might permit a close approximation to a property claim or some manner of 'quasiproperty'. The recently revealed highly inhomogeneous distribution of lunar resources changes the context of these issues. We illustrate this altered situation by considering the Peaks of Eternal Light. They occupy about one square kilometer of the lunar surface. We consider a thought experiment in which a Solar telescope is placed on one of the Peaks of Eternal Light at the lunar South pole for scientific research. Its operation would require non-disturbance, and hence that the Peak remain unvisited by others, effectively establishing a claim of protective exclusion and de facto appropriation. Such a telescope would be relatively easy to emplace with today's technology and so poses a near-term property issue on the Moon. While effective appropriation of a Peak might proceed without raising some of the familiar problems associated with commercial development (especially lunar mining), the possibility of such appropriation nonetheless raises some significant issues concerning justice and the safeguarding of scientific practice on the lunar surface.We consider this issue from scientific, technical, ethical and policy viewpoints.

Shortleaf pine composition and structure in the United States

Treesearch

W. Keith Moser; Mark Hansen; William H. McWilliams; Raymond M. Sheffield

2007-01-01

Although shortleaf pine currently occupies a prominent position in many eastern forests, particularly on upland sites, many scientists and managers have expressed concern about the future of this species in the absence of the disturbance patterns that facilitated its establishment up to now. Reductions in timber harvesting and fire, in particular, may give the...

Fiestaware as an Icon in the Popular Culture of America.

ERIC Educational Resources Information Center

Dale, Sharon; Dale, J. Alexander

Fiestaware, the brightly colored dinnerware first introduced in the United States in 1936, has been a cultural phenomenon from its inception. This paper seeks to explain the extraordinary popularity of Fiestaware and to understand the role the ware occupies in U.S. popular culture. Fiestaware achieved enormous success, in spite of its introduction…

Northern Russian "People" Games for Children

ERIC Educational Resources Information Center

Krasil'nikov, Valeriy P.

2006-01-01

In this article, the author states that people games and contests have always occupied a special place in the traditional physical training of the native people in northern Russia. This article is prepared on the basis of materials obtained as a result of expeditions conducted from 1990 through 1993 into Siberia's "Khanty-Mansyyski" and…

Patterns of Seasonal Abundance and Social Segregation in Inland and Coastal Plain Swamp Sparrows in a Delaware Tidal Marsh

EPA Science Inventory

The Coastal Plain Swamp Sparrow (Melospiza georgiana nigrescens, CPSS) breeds in the coastal brackish marshes of the North American Mid-Atlantic States. During the non-breeding season, coastal brackish marshes are occupied by both this subspecies and two far more widespread inte...

Shortleaf Pine Seed Production in the Piedmont

Treesearch

David L. Bramlett

1965-01-01

Shortleaf pine occupies millions of acres of commercial forest land in the Southeastern United States and is one of the preferred pine species throughout much of its range. Natural regeneration of this species after harvest, however, is a major problem for forest managers. Adequate seed production is the first requirement of successful natural regeneration, and annual...

Motivators of University and College Leaders in the Integration of Sustainable Practices

ERIC Educational Resources Information Center

Peterson, John J.

2014-01-01

Today, as our society faces economic and environmental crises, educational institutions occupy a strategic position to assist in solving these predicaments, by carrying out research and offering teaching in sustainability literacy. However, only a small portion of the total number of colleges and universities in the United States has fully pledged…

Military Support to Law Enforcement Agencies Along the United States Southwestern Border

DTIC Science & Technology

2011-06-10

Eagle Pass on 1 October 1855.8 After a battle with Mexican soldiers, Captain Callahan 11 occupied the Mexican town of Piedras Negras, as Matthews...Captain Callahan a Texas Ranger and his men riding into Mexico and subsequently burning the Mexican town of Piedras Negras. Juan Cortina a Mexican

Longleaf pine can catch up

Treesearch

William D. Boyer

1997-01-01

One of the principal southern pines, longleaf (Pinus palustris Mill.) is the key tree species in a fire-dependent ecosystem. In pm-settlement times, longleaf pine forests covered much of the southeastern United States.Once the most extensive forest ecosystem in North America dominated by a single species longleaf pine now occupies only about 3...

Language and Knowing

ERIC Educational Resources Information Center

Cassuto, Leonard

2004-01-01

The author used to teach a core course at Fordham University called "Language and Knowing." It was during an evening meeting of that class early in 1991 that he first heard that "Operation Desert Storm" had begun-by which he means that the United States and its allies started dropping bombs on Iraq and occupied Kuwait in…

77 FR 16796 - Lead Requirements for Lead-Based Paint Activities in Target Housing and Child-Occupied Facilities...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-03-22

... document announces the receipt of Arkansas's rules established pursuant to its new 2011 statutory authority... program accreditation requirements, and work practice standards for lead-based paint activities in target...-based paint program and passed a new statute establishing a State lead-based paint program and changing...

Restorative Justice Scripts in Ursula K. Le Guin's "Voices"

ERIC Educational Resources Information Center

Oziewicz, Marek C.

2011-01-01

This essay examines restorative justice scripting in "Voices", the second volume of Ursula K. Le Guin's "Annals of the Western Shore." Narrated by a rape-child, "Voices" is the story of an occupied city-state and of how the conquered and the conquerors negotiate a formula for peaceful coexistence. They are able to do…

Optimizing Emory oak woodlands for multiple resource benefits [Poster

Treesearch

Catlow Shipek; Peter F. Ffolliott; Gerald J. Gottfried; Leonard F. DeBano

2005-01-01

The Emory oak woodlands in the southwestern United States present a diverse range of resources. People utilize these woodlands for wood products, cattle grazing, and recreational purposes. The woodlands provide a diversity of wildlife habitats for resident and migratory species. Occupying predominantly upland regions, the oak woodlands protect watersheds from excessive...

A HISTORICAL PERSPECTIVE OF FOREST MANAGEMENT IN THE USSR: CHALLENGES AND OPPORTUNITIES IN THE ERA OF PERESTROIKA

EPA Science Inventory

The Russian Federation of the Commonwealth of Independent States, formerly the Union of Soviet Socialist Republics (USSR), occupies one-sixth of the world's land area. pproximately one-fourth of the world's timber resources and over half of all boreal forests are located there. h...

Evaluating and Terminating Existing Instructional Programs: The Controversial Role of Statewide Coordinating/Governing Agencies.

ERIC Educational Resources Information Center

Johnson, Elizabeth H.

Structures for governing and coordinating higher education are changing. However, the primary responsibility for education rests with the state. The coordinating agency, which occupies the middle-ground between the institutions and the political decision-makers, should have 5 minimum abilities: (1) to engage in continuous planning, both long-range…

26 CFR 1.403(b)-2 - Definitions.

Code of Federal Regulations, 2010 CFR

2010-04-01

... performing services for a public school; (B) A section 501(c)(3) organization with respect to any employee of... services for a public school means an employee performing services as an employee for a public school of a... a public school is paid by the State. Further, a person occupying an elective or appointive public...

Conservation assessment for inland cutthroat trout

Treesearch

Michael K. Young

1995-01-01

This document focuses on the state of the science for five subspecies of cutthroat trout found largely on public lands in the Rocky Mountain and Intermountain West. These subspecies are restricted to a fragment of their former range, and primarily occupy small, high-elevation streams. Little is known about the three rarest subspecies (Bonneville, Colorado River, and...

Epipona media cooper (Hymenoptera: Vespidae), a social wasp new to the Brazilian Atlantic Forest.

PubMed

Menezes, Rodolpho S T; Carvalho Filho, Antonio F; Raw, Anthony; Costa, Marco A

2010-01-01

An occupied nest of Epipona media Cooper was discovered and collected in a cabruca (cocoa plantation with native tree cover). This is the first record of E. media from Bahia State. We described the nest structure and compared the adults with the closely related species Epipona tatua Cuvier.

The Historical Representation of Thanksgiving within Primary- and Intermediate-Level Children's Literature

ERIC Educational Resources Information Center

Bickford, John H., III; Rich, Cynthia W.

2015-01-01

State and national initiatives have compelled significant change in English language arts and social studies/history curricula. English language arts teachers are required to balance fiction (or literature) and nonfiction (or informational texts), which is a considerable change for a content area formerly occupied by fiction (National Governors…

Forest resource trends in Illinois

Treesearch

Louis R. Iverson

1994-01-01

Even though forests occupy only 12% of the land area of Illinois, they play a valuable role in the health of the state's environment and that of its citizens. Many of these benefits have been reviewed in Forest Resources of Illinois: An Atlas and Analysis of Spatial and Temporal Trends (Iverson et al. 1989), and summarized in...

50 CFR 21.45 - Depredation order for depredating purple gallinules in Louisiana.

Code of Federal Regulations, 2014 CFR

2014-10-01

... committing or about to commit serious depredations to growing rice crops on the premises owned or occupied by... shall permit at all reasonable times, including during actual operations, any Federal or State game or deputy game agent, warden, protector, or other game law enforcement officer free and unrestricted access...

50 CFR 21.45 - Depredation order for depredating purple gallinules in Louisiana.

Code of Federal Regulations, 2010 CFR

2010-10-01

... committing or about to commit serious depredations to growing rice crops on the premises owned or occupied by... shall permit at all reasonable times, including during actual operations, any Federal or State game or deputy game agent, warden, protector, or other game law enforcement officer free and unrestricted access...

50 CFR 21.45 - Depredation order for depredating purple gallinules in Louisiana.

Code of Federal Regulations, 2013 CFR

2013-10-01

... committing or about to commit serious depredations to growing rice crops on the premises owned or occupied by... shall permit at all reasonable times, including during actual operations, any Federal or State game or deputy game agent, warden, protector, or other game law enforcement officer free and unrestricted access...

50 CFR 21.45 - Depredation order for depredating purple gallinules in Louisiana.

Code of Federal Regulations, 2012 CFR

2012-10-01

... committing or about to commit serious depredations to growing rice crops on the premises owned or occupied by... shall permit at all reasonable times, including during actual operations, any Federal or State game or deputy game agent, warden, protector, or other game law enforcement officer free and unrestricted access...

75 FR 434 - Notice of Intent to Repatriate Cultural Items: Thomas Burke Memorial Washington State Museum...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-01-05

... of Washington, Seattle, WA, that meet the definition of ``unassociated funerary objects'' under 25 U... the southern end. This area falls within the Southern Lushootseed language group of Salish cultures... Lushootseed language group of Salish cultures. The Sammamish people primarily occupied this area (Ruby and...

Restoring the longleaf pine ecosystem: The role of container seedling technology

Treesearch

James P. Barnett

2004-01-01

Longleaf pine (Pinus palustris Mill.) ecosystems once occupied 90 million acres in the southern United States’ coastal plain. Restoration of longleaf pine ecosystems has been difficult because reestablishment of the species by either natural or artificial means has been problematic. The application of container seedling technology to longleaf pine...

A novel approach for assessing density and range-wide abundance of prairie dogs

Treesearch

Aaron N. Facka; Paulette L. Ford; Gary W. Roemer

2008-01-01

Habitat loss, introduced disease, and government-sponsored eradication programs have caused population declines in all 5 species of prairie dogs. Black-tailed prairie dogs (Cynomys ludovicianus) currently occupy only about 2% of an extensive geographic range (160 million hectares) and were recently considered for listing under the United States...

Billet-planted sugarcane responds positively to chemical seed treatments

USDA-ARS?s Scientific Manuscript database

Louisiana’s 2015 sugarcane crop was worth over $750 million and generated $2 billion in direct economic impact to the state. One of the biggest variable expenses was planting. Seed cane is costly to grow because it occupies land that could produce cane destined for a mill. Whole stalk seeding rates ...

Restoring the longleaf pine ecosystem: The role of fire

Treesearch

James P. Barnett

2002-01-01

Longleaf pine (Pinus palustris Mill.) ecosystems once occupied 90 million acres in the southern United States coastal plain. These firedependent ecosystems dominated a wide range of coastal plain sites, including dry uplands and low, wet flatlands. Today, less than 4 million acres remain, but these ecosystems represent significant components of the...

The longleaf pine forest: trends and current conditions

Treesearch

Kenneth W. Outcalt; Raymond M. Sheffield

1996-01-01

Longleaf pine (Pinus palustris Mill.) ecosystems once occupied perhaps as much as 60 million acres in the Southeastern United States (fig. l), stretching from southeastern Virginia south to central Florida and west into eastern Texas (Stout and Marion 1993). These fire-dependent ecosystems covered a wide range of site conditions, from low, wet...

Autapse-Induced Spiral Wave in Network of Neurons under Noise

PubMed Central

Qin, Huixin; Ma, Jun; Wang, Chunni; Wu, Ying

2014-01-01

Autapse plays an important role in regulating the electric activity of neuron by feedbacking time-delayed current on the membrane of neuron. Autapses are considered in a local area of regular network of neurons to investigate the development of spatiotemporal pattern, and emergence of spiral wave is observed while it fails to grow up and occupy the network completely. It is found that spiral wave can be induced to occupy more area in the network under optimized noise on the network with periodical or no-flux boundary condition being used. The developed spiral wave with self-sustained property can regulate the collective behaviors of neurons as a pacemaker. To detect the collective behaviors, a statistical factor of synchronization is calculated to investigate the emergence of ordered state in the network. The network keeps ordered state when self-sustained spiral wave is formed under noise and autapse in local area of network, and it independent of the selection of periodical or no-flux boundary condition. The developed stable spiral wave could be helpful for memory due to the distinct self-sustained property. PMID:24967577

Structural correlates of imbibitional injury in Typha pollen

NASA Technical Reports Server (NTRS)

Sack, F. D.; Leopold, A. C.; Hoekstra, F. A.

1988-01-01

The ultrastructure of Typha latifolia pollen was examined as a function of pollen moisture content and incubation temperature, in order to identify possible lesions induced by imbibitional chilling. A syndrome of structural traits was found which characterizes damaged grains. Compared to viable grains, the protoplast of damaged pollen has a higher proportion of its volume occupied by vesicles, and less volume occupied by cytoplasm. Damaged grains also tend to have dilated cisternae of endoplasmic reticulum, larger starch grains and lipid bodies, poorly preserved mitochondria and membranes, and, sometimes, numerous electron-dense globules associated with membranes. The percentage of grains exhibiting this damage syndrome correlates closely with the number of ungerminated grains in most samples, regardless of moisture content or incubation temperature. Injury due to rapid imbibition from the dry state or to imbibitional chilling appear to be similar structurally, regardless of whether the stresses are imposed singly or together. The injury is not confined to one cell component (e.g., mitochondria), but may involve a generalized disruption of membranes. These results suggest that similar stress responses are elicited by imbibition from the dry state and by imbibitional chilling.

Autapse-induced spiral wave in network of neurons under noise.

PubMed

Qin, Huixin; Ma, Jun; Wang, Chunni; Wu, Ying

2014-01-01

Autapse plays an important role in regulating the electric activity of neuron by feedbacking time-delayed current on the membrane of neuron. Autapses are considered in a local area of regular network of neurons to investigate the development of spatiotemporal pattern, and emergence of spiral wave is observed while it fails to grow up and occupy the network completely. It is found that spiral wave can be induced to occupy more area in the network under optimized noise on the network with periodical or no-flux boundary condition being used. The developed spiral wave with self-sustained property can regulate the collective behaviors of neurons as a pacemaker. To detect the collective behaviors, a statistical factor of synchronization is calculated to investigate the emergence of ordered state in the network. The network keeps ordered state when self-sustained spiral wave is formed under noise and autapse in local area of network, and it independent of the selection of periodical or no-flux boundary condition. The developed stable spiral wave could be helpful for memory due to the distinct self-sustained property.

First-principles study on codoping effect to enhance photocatalytic activity of anatase TiO2

NASA Astrophysics Data System (ADS)

Bai, Yujie; Zhang, Qinfang; Zheng, Fubao; Yang, Yun; Meng, Qiangqiang; Zhu, Lei; Wang, Baolin

2017-03-01

Codopant is an effective approach to modify the bandgap and band edge positions of transition metal oxide. Here, the electronic structures as well as the optical properties of pristine, mono-doped (N/P/Sb) and codoped (Sb, N/P) anatase TiO2 have been systematically investigated based on density functional theory calculations. It is found that mono-doped TiO2 exhibits either unoccupied or partially occupied intermediate state within the energy gap, which promotes the recombination of electron-hole pairs. However, the presence of (Sb, N/P) codopant not only effectively reduces the width of bandgap by introducing delocalized occupied intermediate states, but also adjusts the band edge alignment to enhance the hydrogen evolution activity of TiO2. Moreover, the optical absorption spectrum for (Sb, N/P) codoped TiO2, which is favored under oxygen-rich condition, demonstrates the improvement of its visible light absorption. These findings will promote the potential application of (Sb, N/P) codoped TiO2 photocatalysis for water splitting under visible light irradiation.

Absorption coefficients of silicon: A theoretical treatment

NASA Astrophysics Data System (ADS)

Tsai, Chin-Yi

2018-05-01

A theoretical model with explicit formulas for calculating the optical absorption and gain coefficients of silicon is presented. It incorporates direct and indirect interband transitions and considers the effects of occupied/unoccupied carrier states. The indirect interband transition is calculated from the second-order time-independent perturbation theory of quantum mechanics by incorporating all eight possible routes of absorption or emission of photons and phonons. Absorption coefficients of silicon are calculated from these formulas. The agreements and discrepancies among the calculated results, the Rajkanan-Singh-Shewchun (RSS) formula, and Green's data are investigated and discussed. For example, the RSS formula tends to overestimate the contributions of indirect transitions for cases with high photon energy. The results show that the state occupied/unoccupied effect is almost negligible for silicon absorption coefficients up to the onset of the optical gain condition where the energy separation of Quasi-Femi levels between electrons and holes is larger than the band-gap energy. The usefulness of using the physics-based formulas, rather than semi-empirical fitting ones, for absorption coefficients in theoretical studies of photovoltaic devices is also discussed.

43 CFR 3813.1 - Minerals reserved by the Act of July 17, 1914, subject to mineral location, entry and patenting.

Code of Federal Regulations, 2013 CFR

2013-10-01

..., 1914, subject to mineral location, entry and patenting. 3813.1 Section 3813.1 Public Lands: Interior... location, entry and patenting. The Act of July 17, 1914 (38 Stat. 509; 30 U.S.C. sec. 122), as amended by... mineral deposits in lands, may re-enter and occupy so much of the surface thereof as may be required for...

43 CFR 3813.1 - Minerals reserved by the Act of July 17, 1914, subject to mineral location, entry and patenting.

Code of Federal Regulations, 2012 CFR

2012-10-01

..., 1914, subject to mineral location, entry and patenting. 3813.1 Section 3813.1 Public Lands: Interior... location, entry and patenting. The Act of July 17, 1914 (38 Stat. 509; 30 U.S.C. sec. 122), as amended by... mineral deposits in lands, may re-enter and occupy so much of the surface thereof as may be required for...

43 CFR 3813.1 - Minerals reserved by the Act of July 17, 1914, subject to mineral location, entry and patenting.

Code of Federal Regulations, 2011 CFR

2011-10-01

..., 1914, subject to mineral location, entry and patenting. 3813.1 Section 3813.1 Public Lands: Interior... location, entry and patenting. The Act of July 17, 1914 (38 Stat. 509; 30 U.S.C. sec. 122), as amended by... mineral deposits in lands, may re-enter and occupy so much of the surface thereof as may be required for...

43 CFR 3813.1 - Minerals reserved by the Act of July 17, 1914, subject to mineral location, entry and patenting.

Code of Federal Regulations, 2014 CFR

2014-10-01

..., 1914, subject to mineral location, entry and patenting. 3813.1 Section 3813.1 Public Lands: Interior... location, entry and patenting. The Act of July 17, 1914 (38 Stat. 509; 30 U.S.C. sec. 122), as amended by... mineral deposits in lands, may re-enter and occupy so much of the surface thereof as may be required for...

Nutrient and salt relations of Pterocarpus officinalis L. in coastal wetlands of the Caribbean: assessment through leaf and soil analyses.

Treesearch

Ernesto Medina; Elvira Cuevas; Ariel Lugo

2007-01-01

Pterocarpus officinalis L. is a dominant tree of freshwater coastal wetlands in the Caribbean and the Guiana regions. It is frequently associated with mangroves in areas with high rainfall and/or surface run-off. We hypothesized that P. officinalis is a freshwater swamp species that when occurring in association with mangroves occupies low-salinity soil microsites, or...

Marine Environmental Protection Knowledge, Attitudes, Behaviors, and Curricular Involvement of Taiwanese Primary School Students in Senior Grades

ERIC Educational Resources Information Center

Wen, Wen-cheng; Lu, Shiau-yun

2013-01-01

In recent years, rapid changes in the Earth's climate and environment have influenced our lives greatly. The ocean occupies 70% of the Earth's surface and is intimately related to the regulation of climate, fostering of life, and also to social economy, as well as sports and leisure. Students in the senior years of primary education are in a phase…

Measurement of the average mass of proteins adsorbed to a nanoparticle by using a suspended microchannel resonator.

PubMed

Nejadnik, M Reza; Jiskoot, Wim

2015-02-01

We assessed the potential of a suspended microchannel resonator (SMR) to measure the adsorption of proteins to nanoparticles. Standard polystyrene beads suspended in buffer were weighed by a SMR system. Particle suspensions were mixed with solutions of bovine serum albumin (BSA) or monoclonal human antibody (IgG), incubated at room temperature for 3 h and weighed again with SMR. The difference in buoyant mass of the bare and protein-coated polystyrene beads was calculated into real mass of adsorbed proteins. The average surface area occupied per protein molecule was calculated, assuming a monolayer of adsorbed protein. In parallel, dynamic light scattering (DLS), nanoparticle tracking analysis (NTA), and zeta potential measurements were performed. SMR revealed a statistically significant increase in the mass of beads because of adsorption of proteins (for BSA and IgG), whereas DLS and NTA did not show a difference between the size of bare and protein-coated beads. The change in the zeta potential of the beads was also measurable. The surface area occupied per protein molecule was in line with their known size. Presented results show that SMR can be used to measure the mass of adsorbed protein to nanoparticles with a high precision in the presence of free protein. © 2014 Wiley Periodicals, Inc. and the American Pharmacists Association.

Active Free Surface Density Maps

NASA Astrophysics Data System (ADS)

Çelen, S.

2016-10-01

Percolation problems were occupied to many physical problems after their establishment in 1957 by Broadbent and Hammersley. They can be used to solve complex systems such as bone remodeling. Volume fraction method was adopted to set some algorithms in the literature. However, different rate of osteoporosis could be observed for different microstructures which have the same mass density, mechanical stimuli, hormonal stimuli and nutrition. Thus it was emphasized that the bone might have identical porosity with different specific surfaces. Active free surface density of bone refers the used total area for its effective free surface. The purpose of this manuscript is to consolidate a mathematical approach which can be called as “active free surface density maps” for different surface patterns and derive their formulations. Active free surface density ratios were calculated for different Archimedean lattice models according to Helmholtz free energy and they were compared with their site and bond percolation thresholds from the background studies to derive their potential probability for bone remodeling.

Multiply Surface-Functionalized Nanoporous Carbon for Vehicular Hydrogen Storage

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

Pfeifer, Peter; Gillespie, Andrew; Stalla, David

The purpose of the project “Multiply Surface-Functionalized Nanoporous Carbon for Vehicular Hydrogen Storage” is the development of materials that store hydrogen (H 2) by adsorption in quantities and at conditions that outperform current compressed-gas H 2 storage systems for electric power generation from hydrogen fuel cells (HFCs). Prominent areas of interest for HFCs are light-duty vehicles (“hydrogen cars”) and replacement of batteries with HFC systems in a wide spectrum of applications, ranging from forklifts to unmanned areal vehicles to portable power sources. State-of-the-art compressed H 2 tanks operate at pressures between 350 and 700 bar at ambient temperature and storemore » 3-4 percent of H 2 by weight (wt%) and less than 25 grams of H 2 per liter (g/L) of tank volume. Thus, the purpose of the project is to engineer adsorbents that achieve storage capacities better than compressed H 2 at pressures less than 350 bar. Adsorption holds H 2 molecules as a high-density film on the surface of a solid at low pressure, by virtue of attractive surface-gas interactions. At a given pressure, the density of the adsorbed film is the higher the stronger the binding of the molecules to the surface is (high binding energies). Thus, critical for high storage capacities are high surface areas, high binding energies, and low void fractions (high void fractions, such as in interstitial space between adsorbent particles, “waste” storage volume by holding hydrogen as non-adsorbed gas). Coexistence of high surface area and low void fraction makes the ideal adsorbent a nanoporous monolith, with pores wide enough to hold high-density hydrogen films, narrow enough to minimize storage as non-adsorbed gas, and thin walls between pores to minimize the volume occupied by solid instead of hydrogen. A monolith can be machined to fit into a rectangular tank (low pressure, conformable tank), cylindrical tank (high pressure), or other tank shape without any waste of volume.« less

Conventional physics can explain cold fusion excess heat

NASA Astrophysics Data System (ADS)

Chubb, S. R.

In 1989, when Fleischmann, Pons and Hawkins (FP), claimed they had created room temperature, nuclear fusion in a solid, a firestorm of controversy erupted. Beginning in 1991, the Office of Naval Research began a decade-long study of the FP excess heat effect. This effort documented the fact that the excess heat that FP observed is the result of a form of nuclear fusion that can occur in solids at reduced temperature, dynamically, through a deuteron (d)+d□4He reaction, without high-energy particles or □ rays. A key reason this fact has not been accepted is the lack of a cogent argument, based on fundamental physical ideas, justifying it. In the paper, this question is re-examined, based on a generalization of conventional energy band theory that applies to finite, periodic solids, in which d's are allowed to occupy wave-like, ion band states, similar to the kinds of states that electrons occupy in ordinary metals. Prior to being experimentally observed, the Ion Band State Theory (IBST) of cold fusion predicted a potential d+d□4He reaction, without high energy particles, would explain the excess heat, the 4He would be found in an unexpected place (outside heat-producing electrodes), and high-loading, x□1, in PdDx, would be required.

Fractal Properties of Some Machined Surfaces

NASA Astrophysics Data System (ADS)

Thomas, T. R.; Rosén, B.-G.

Many surface profiles are self-affine fractals defined by fractal dimension D and topothesy Λ. Traditionally these parameters are derived laboriously from the slope and intercept of the profile's structure function. Recently a quicker and more convenient derivation from standard roughness parameters has been suggested. Based on this derivation, it is shown that D and Λ depend on two dimensionless numbers: the ratio of the mean peak spacing to the rms roughness, and the ratio of the mean local peak spacing to the sampling interval. Using this approach, values of D and Λ are calculated for 125 profiles produced by polishing, plateau honing and various single-point machining processes. Different processes are shown to occupy different regions in D-Λ space, and polished surfaces show a relationship between D and Λ which is independent of the surface material.

Two-nucleon emitters within a pseudostate method: The case of 6Be and 16Be

NASA Astrophysics Data System (ADS)

Casal, J.

2018-03-01

Background: Since the first experimental observation, two-nucleon radioactivity has gained renewed attention since the early 2000s. The 6Be system is the lightest two-proton ground-state emitter, while 16Be was recently proposed to be the first two-neutron ground-state emitter ever observed. A proper understanding of their properties and decay modes requires a reasonable description of the three-body continuum. Purpose: Study the ground-state properties of 6Be and 16Be within a general three-body model and investigate their nucleon-nucleon correlations in the continuum. Method: The pseudostate (PS) method in hyperspherical coordinates, using the analytical transformed harmonic oscillator (THO) basis for three-body systems, is used to construct the 6Be and 16Be ground-state wave functions. These resonances are approximated as a stable PS around the known two-nucleon separation energy. Effective core-N potentials, constrained by the available experimental information on the binary subsystems 5Li and 15Be, are employed in the calculations. Results: The ground state of 16Be is found to present a strong dineutron configuration, with the valence neutrons occupying mostly an l =2 state relative to the core. The results are consistent with previous R -matrix calculations for the actual continuum. The case of 6Be shows a clear symmetry with respect to its mirror partner, the two-neutron halo 6He: The diproton configuration is dominant, and the valence protons occupy an l =1 orbit. Conclusions: The PS method is found to be a suitable tool in describing the properties of unbound core+N +N ground states. For both 16Be and 6Be, the results are consistent with previous theoretical studies and confirm the dominant dinucleon configuration. This favors the picture of a correlated two-nucleon emission.

A multi-state approach to black-tailed prairie dog conservation and management in the United States (Enfoque multi-estatal para la Conservacion y manejo del perro llanero de cola negra en los Estados Unidos)

Treesearch

Robert J. Luce

2006-01-01

The black-tailed prairie dog (Cynomys ludovicianus) is unusual among species proposed for Endangered Species Act (ESA) listing in that several million individuals currently exist across a large area in the wild. The National Wildlife Federation's 1998 listing petition estimated the current area occupied by the species at 283,500-324,000 ha. Although widespread,...

Spectroscopic Investigation of the Argon Metastable State Through Optical Emission From Pulsed Argon Discharge

DTIC Science & Technology

2010-07-01

a multielectron atom from occupying the same stationary state. This is expressed in the Pauli exclusion principle as the rule that no two electrons...ed. (John Wiley and Sons Inc., ADDRESS, 1971). 54 [20] R. O. Jung , J. B. Boffard, L. W. Anderson, and C. C. Lin, Physical Review A (Atomic, Molecular...Physics 41, 065206 (2008). [34] J. B. Boffard, R. O. Jung , C. C. Lin, and A. E. Wendt, Plasma Sources Science and Technology 18, 035017 (2009). [35

Energy Level Alignment at the Interface between Linear-Structured Benzenediamine Molecules and Au(111) Surface

NASA Astrophysics Data System (ADS)

Li, Guo; Rangel, Tonatiuh; Liu, Zhenfei; Cooper, Valentino; Neaton, Jeffrey

Using density functional theory with model self-energy corrections, we calculate the adsorption energetics and geometry, and the energy level alignment of benzenediamine (BDA) molecules adsorbed on Au(111) surfaces. Our calculations show that linear structures of BDA, stabilized via hydrogen bonds between amine groups, are energetically more favorable than monomeric phases. Moreover, our self-energy-corrected calculations of energy level alignment show that the highest occupied molecular orbital energy of the BDA linear structure is deeper relative to the Fermi level relative to the isolated monomer and agrees well with the values measured with photoemission spectroscopy. This work supported by DOE.

Satellite Power System (SPS). State and local regulations as applied to satellite power system microwave receiving antenna facilities

NASA Technical Reports Server (NTRS)

Kotin, A. D.

1978-01-01

State and local regulation of power plant construction and operation of solar power satellite (SPS) receiving stations is presented. Each receiving antenna station occupies a land area 100-200 km square, receives microwave transmissions from the solar power satellite, and converts them into electricity for transmission to the power grid. The long lead time associated with the SPS and the changing status of state and local regulation dictated emphasis on: generic classification of the types of regulation, and identification of regulatory vectors which affect rectenna facilities.

Distribution and postbreeding environmental relationships of Northern leopard frogs (Rana [Lithobates] pipiens) in Washington

USGS Publications Warehouse

Germaine, S.S.; Hays, D.W.

2009-01-01

Northern leopard frogs (Rana [Lithobates] pipiens) are considered sensitive, threatened, or endangered in all western states and western Canadian provinces. Historically present in eastern Washington in 6 major river drainages, leopard frogs are now only known to occur at 2 localized areas in the Crab Creek drainage in Grant County. During the summers of 2002-2005, we surveyed both areas to document extent of leopard frog distributions and to describe habitat and vertebrate community characteristics associated with leopard frog site occupancy. At Gloyd Seeps, 2 juvenile leopard frogs were observed in a total of 8.2 person-days of searching along a 5-km stream reach. At Potholes Reservoir, we surveyed 243 wetland sites in 7 management units known to have been occupied by leopard frogs during the 1980s. We confirmed leopard frog presence at only 87 sites (36%) in 4 management units. Site occupancy models for individual ponds indicated that, compared to unoccupied sites, occupied sites had slightly greater pond depths, less tall emergent vegetation, more herbaceous vegetative cover, and fewer neighboring ponds containing nonnative predatory fish. Models developed at the 1-km2 scale indicated that occupied areas had greater average midsummer pond depths, fewer ponds occupied by bullfrogs (Rana [Lithobates] catesbeiana) and carp (Cyprinus carpio), and more herbaceous vegetation surrounding ponds. The Gloyd Seeps population now appears defunct, and the Potholes Reservoir population is in sharp decline. Unless management actions are taken to reduce nonnative fish and bullfrogs and to enhance wetland vegetation, leopard frogs may soon be extirpated from both sites and possibly, therefore, from Washington.

Aging and the discrimination of 3-D shape from motion and binocular disparity.

PubMed

Norman, J Farley; Holmin, Jessica S; Beers, Amanda M; Cheeseman, Jacob R; Ronning, Cecilia; Stethen, Angela G; Frost, Adam L

2012-10-01

Two experiments evaluated the ability of younger and older adults to visually discriminate 3-D shape as a function of surface coherence. The coherence was manipulated by embedding the 3-D surfaces in volumetric noise (e.g., for a 55 % coherent surface, 55 % of the stimulus points fell on a 3-D surface, while 45 % of the points occupied random locations within the same volume of space). The 3-D surfaces were defined by static binocular disparity, dynamic binocular disparity, and motion. The results of both experiments demonstrated significant effects of age: Older adults required more coherence (tolerated volumetric noise less) for reliable shape discrimination than did younger adults. Motion-defined and static-binocular-disparity-defined surfaces resulted in similar coherence thresholds. However, performance for dynamic-binocular-disparity-defined surfaces was superior (i.e., the observers' surface coherence thresholds were lowest for these stimuli). The results of both experiments showed that younger and older adults possess considerable tolerance to the disrupting effects of volumetric noise; the observers could reliably discriminate 3-D surface shape even when 45 % of the stimulus points (or more) constituted noise.

Co-occurring Synechococcus ecotypes occupy four major oceanic regimes defined by temperature, macronutrients and iron.

PubMed

Sohm, Jill A; Ahlgren, Nathan A; Thomson, Zachary J; Williams, Cheryl; Moffett, James W; Saito, Mak A; Webb, Eric A; Rocap, Gabrielle

2016-02-01

Marine picocyanobacteria, comprised of the genera Synechococcus and Prochlorococcus, are the most abundant and widespread primary producers in the ocean. More than 20 genetically distinct clades of marine Synechococcus have been identified, but their physiology and biogeography are not as thoroughly characterized as those of Prochlorococcus. Using clade-specific qPCR primers, we measured the abundance of 10 Synechococcus clades at 92 locations in surface waters of the Atlantic and Pacific Oceans. We found that Synechococcus partition the ocean into four distinct regimes distinguished by temperature, macronutrients and iron availability. Clades I and IV were prevalent in colder, mesotrophic waters; clades II, III and X dominated in the warm, oligotrophic open ocean; clades CRD1 and CRD2 were restricted to sites with low iron availability; and clades XV and XVI were only found in transitional waters at the edges of the other biomes. Overall, clade II was the most ubiquitous clade investigated and was the dominant clade in the largest biome, the oligotrophic open ocean. Co-occurring clades that occupy the same regime belong to distinct evolutionary lineages within Synechococcus, indicating that multiple ecotypes have evolved independently to occupy similar niches and represent examples of parallel evolution. We speculate that parallel evolution of ecotypes may be a common feature of diverse marine microbial communities that contributes to functional redundancy and the potential for resiliency.

Co-occurring Synechococcus ecotypes occupy four major oceanic regimes defined by temperature, macronutrients and iron

PubMed Central

Sohm, Jill A; Ahlgren, Nathan A; Thomson, Zachary J; Williams, Cheryl; Moffett, James W; Saito, Mak A; Webb, Eric A; Rocap, Gabrielle

2016-01-01

Marine picocyanobacteria, comprised of the genera Synechococcus and Prochlorococcus, are the most abundant and widespread primary producers in the ocean. More than 20 genetically distinct clades of marine Synechococcus have been identified, but their physiology and biogeography are not as thoroughly characterized as those of Prochlorococcus. Using clade-specific qPCR primers, we measured the abundance of 10 Synechococcus clades at 92 locations in surface waters of the Atlantic and Pacific Oceans. We found that Synechococcus partition the ocean into four distinct regimes distinguished by temperature, macronutrients and iron availability. Clades I and IV were prevalent in colder, mesotrophic waters; clades II, III and X dominated in the warm, oligotrophic open ocean; clades CRD1 and CRD2 were restricted to sites with low iron availability; and clades XV and XVI were only found in transitional waters at the edges of the other biomes. Overall, clade II was the most ubiquitous clade investigated and was the dominant clade in the largest biome, the oligotrophic open ocean. Co-occurring clades that occupy the same regime belong to distinct evolutionary lineages within Synechococcus, indicating that multiple ecotypes have evolved independently to occupy similar niches and represent examples of parallel evolution. We speculate that parallel evolution of ecotypes may be a common feature of diverse marine microbial communities that contributes to functional redundancy and the potential for resiliency. PMID:26208139

40 CFR 745.82 - Applicability.

Code of Federal Regulations, 2013 CFR

2013-07-01

... child-occupied facilities, except for the following: (1) Renovations in target housing or child-occupied...) Renovations in target housing or child-occupied facilities in which a certified renovator, using an EPA... to have been repainted or refinished separately. (3) Renovations in target housing or child-occupied...

40 CFR 745.82 - Applicability.

Code of Federal Regulations, 2014 CFR

2014-07-01

... child-occupied facilities, except for the following: (1) Renovations in target housing or child-occupied...) Renovations in target housing or child-occupied facilities in which a certified renovator, using an EPA... to have been repainted or refinished separately. (3) Renovations in target housing or child-occupied...

40 CFR 745.82 - Applicability.

Code of Federal Regulations, 2012 CFR

2012-07-01

... child-occupied facilities, except for the following: (1) Renovations in target housing or child-occupied...) Renovations in target housing or child-occupied facilities in which a certified renovator, using an EPA... to have been repainted or refinished separately. (3) Renovations in target housing or child-occupied...

Bald eagle and osprey

USGS Publications Warehouse

Henny, C.J.; Anthony, R.G.; Pendleton, Beth Giron

1989-01-01

Bald eagles nested in all nine western states during recent years (about 19% of known U.S. population in 1982). The known numbers of nesting pairs in the west increased substantially in the last 10 years and totaled 584 in 1986. Much of the increase was due to more intensive survey efforts, but most biologists cite examples of new palrs establishing nesting territories. In contrast, productivity was relatively stable at 0.9 young produced per occupied territory with small annual fluctuations, a level slightly below the requirement for delisting (1.0 young per occupied territory) by the Pacific States Bald Eagle Recovery Plan. About 4,500 to 6,000 (minimum estimate) bald eagles winter throughout the western United States, which is about 50% of the surveyed population in the contiguous 48 states. Osprey range expansion and population increases have been documented in the West since 1981, when the population was estimated at 1,472 palrs (i.e., about 18% of the U.S. population). Monitoring efforts in the 1980s were not as intensive for ospreys as for bald eagles, but productivity was usually at the upper end of 0.95 to 13 young per occupied territory (a rate generally believed adequate for population stability). Although bald eagle and osprey nesting populations and productivity show cause for optimism, organochlorine contaminants remain a problem in a few individual birds and in some localized areas (e.g., lower Columbia River). DDE residues high enough to reduce productivity have been documented in eggs of both species during the 1980s. In addition, the bald eagle, which also forages on sick or dead prey, has been exposed to lead shot and the organophosphorus insecticide famphur. These contaminants have killed numbers of them in the West in recent years. Nesting ospreys appear more tolerant than nesting bald eagles of man and his disturbance; thus, more restrictions are required at bald eagle nest sites. Furthermore, bald eagles winter within the United States and their specific wintering requirements are generally known and considered in the species' management, whereas western ospreys winter in Mexico and Central America where knowledge of their requirements is nearly nonexistent. Reintroduction worked successfully for both species elsewhere but is not a high ,priority for western localities because few populations were extirpated and most populations have increased.

Surface rearrangement of water-immersed hydrophobic solids by gaseous nanobubbles.

PubMed

Tarábková, Hana; Bastl, Zdeněk; Janda, Pavel

2014-12-09

Interactions of gaseous (ambient) nanobubbles (10-100 nm diameter) with different hydrophobic materials-Teflon, polystyrene, paraffin, and basal plane highly ordered pyrolytic graphite (HOPG)-are studied by AFM in situ and ex situ. Exactly identical surface locations are examined before and after exposure to ambient gas nanobubbles in deionized water and compared for nanomorphological changes. While freely flooded/immersed surfaces, regularly occupied by nanobubbles, do not exhibit resolvable alterations, significant surface rearrangement is found on whole flooded area after mild pressure drop (10 kPa) applied on the solid-liquid interface. Nanopattern and its characteristic dimension appear to be material specific and solely reflect surface-nanobubble interaction. Mild, nonswelling, noncorrosive conditions (20 °C, deionized water) prevent intervention of chemical reaction and high-energy-demanding processes. Experimental results, in accordance with the presented model, indicate that the mild pressure drop triggers expansion of pinned nanobubbles, imposing local tensile stress on the solid surface. Consequently, nanobubbles should be considered as large-area nanoscale patterning elements.

Insect Pollinators of Three Rare Plants in a Florida Longleaf Pine Forest

Treesearch

Theresa Pitts-Singer; James L. Hanula; Joan L. Walker

2002-01-01

As a result of human activity, longleaf pine (Pinus palustris Miller) forests in the southern United States have been lost or drastically altered. Many of the plant species that historically occupied those forests now persist only as remnants and are classified as threatened or endangered. In order to safeguard such species, a better understanding of...

Oak composition and structure in the eastern United States

Treesearch

W. Keith Moser; Mark Hansen; Will McWilliams; Ray Sheffield

2006-01-01

Although oak species currently occupy a dominant position in most eastern deciduous forests, particularly on upland sites, many scientists and managers have expressed concern about the future of this genus in the absence of the disturbance patterns that facilitated its establishment up to now. Reductions in timber harvesting and fire in particular may give the...

Effects of Israeli Press Restrictions on Coverage of the Palestinian Uprising and on U.S. Public Opinion.

ERIC Educational Resources Information Center

Griffin, Jeffrey L.

Comparing United States television news coverage of the Palestinian uprising in the Israeli-occupied territories before and after press restrictions were introduced in March 1988, a study examined whether Israel's press clampdown (restricting particularly the activities of camera crews, and apparently begun in response to negative foreign opinion…

Recreation in whitebark pine ecosystems: Demand, problems, and management strategies

Treesearch

David N. Cole

1990-01-01

Whitebark pine ecosystems are an important element of many of the most spectacular high-elevation landscapes in the western United States. They occupy upper subalpine and timberline zones in the prime recreation lands of the Cascades, the Sierra Nevada, and the Northern Rocky Mountains. This paper explores the nature of the recreational opportunities that the whitebark...

Status of neotropical migratory birds in the Northeast: a preliminary assessment

Treesearch

Charles R. Smith; Diane M. Pence; Raymond J. O' Connor

1993-01-01

The Northeast Region encompasses a diversity of habitats, from the coastal plain of Virginia to the boreal spruce-fir forests of northern Maine, with a varied group of neotropical migratory bird species occupying these habitats. The geographic area of concern in this analysis includes the states of Maine, Vermont, New Hampshire, New York, Massachusetts, Connecticut,...

Framework for Strengthening the Scholarship of Teaching and Learning in the Canadian College Sector

ERIC Educational Resources Information Center

De Courcy, Eileen; Loblaw, Tim; Paterson, Jessica; Southam, Theresa; Wilson, Mary M.

2017-01-01

Following collaborative discussion and an initial literature review, a small group of college educators from three Canadian provinces, occupying roles at the micro, meso, and macro levels of their respective institutions, identified the need to develop a tool that considers institutional context in both determining the state of, and preparing for…

Betty Kessler Lyman and the Indiana Federal Children's Theatre.

ERIC Educational Resources Information Center

Webb, Dorothy

1995-01-01

States that the special place that the Mickey Mouse Theater and its leader, Betty Lyman, occupy in the history of the Federal Theater project can best be understood in the economic and political context of the Depression. Concludes that there is little evidence to suggest Lyman's group contributed to the growth of children's theater in Indiana.…

Silviculture and multi-resource management case studies for southwestern pinyon-juniper woodlands

Treesearch

Gerald J. Gottfried

2008-01-01

Southwestern pinyon-juniper and juniper woodlands cover large areas of the Western United States. The woodlands are heterogeneous, consisting of numerous combinations of tree, shrub, and herbaceous species and stand densities that are representative of the wide range of sites and habitat types they occupy. Silvicultural methods can be employed on better sites to meet...

Seed biology of rush skeletonweed in sagebrush steppe

Treesearch

Julia D. Liao; Stephen B. Monsen; Val Jo Anderson; Nancy L. Shaw

2000-01-01

Rush skeletonweed (Chondrilla juncea L.) is an invasive, herbaceous, long-lived perennial species of Eurasian or Mediterranean origin now occurring in many locations throughout the world. In the United States, it occupies over 2.5 million ha of rangeland in the Pacific Northwest and California. Despite the ecological and economic significance of this species, little is...

Meal-Insulin Cycle: A Visual Summary of the Biochemical Events between Meals

ERIC Educational Resources Information Center

Kalogiannis, Stavros

2017-01-01

In the present article, a scheme that summarizes the biochemical events occurring in the human body after the consumption of a meal is proposed. The scheme illustrates the metabolic sequence as a series of counteracting components occupying opposite positions in a cycle, indicating their opposite actions or physiological states, such as meal…

To designate the buildings occupied by the Department of Transportation located at 1200 New Jersey Avenue, Southeast, in the District of Columbia as the "James L. Oberstar United States Department of Transportation Building Complex".

THOMAS, 113th Congress

Rep. Lipinski, Daniel [D-IL-3

2014-05-09

House - 05/12/2014 Referred to the Subcommittee on Economic Development, Public Buildings and Emergency Management. (All Actions) Tracker: This bill has the status IntroducedHere are the steps for Status of Legislation:

Longleaf pine ecosystem restoration: the role of the USDA Forest Service

Treesearch

Charles K. McMahon; D.J. Tomczak; R.M. Jeffers

1998-01-01

The greater longleaf pine ecosystem once occupied over 90 million acres from southeastern Virginia, south to central Florida, and west to eastern Texas. Today less than 3 million acres remain, with much of the remaining understory communities in an unhealthy state. A number of public and private conservation organizations are conducting collaborative longleaf pine...

Exotic pests of eastern forests conference proceedings

Treesearch

Kerry O. Britton

1998-01-01

Invasive exotic pest plants, diseases, and insects, have had a dramatic impact on the health and composition of the Eastern forests for many decades. Chestnut blight was discovered in the United States in 1904. Since then, it has virtually destroyed the chestnut population, which once occupied 25 percent of the eastern forest. In the 1860's, the gypsy moth was...

Tennesse Forest Acreage Increasing

Treesearch

R. L. Johnson

1961-01-01

Tennessee has 13,432,400 acres of commercial fore st land, according to a new suvey of the State's timber resources. All together, these woodIands occupy 51 percent of the total land are a in Tennessee. The estimate includes all forest land that is producing or is capable of producing industrial wood and not withdrawn from timber utilization. An additional 263,...

Science Advice as Procedural Rationality: Reflections on the National Research Council

ERIC Educational Resources Information Center

Feuer, Michael J.; Maranto, Christina J.

2010-01-01

Since its founding in 1863, the National Academy of Sciences (NAS) has occupied a special niche in the complex ecology of advice-giving in the United States. Established as a small, private organization with special responsibilities and obligations vis a vis the American people and government, the Academy has expanded considerably in the past…

Mobilizing Curriculum Studies in a (Virtual) World: Open Access, Edupunks, and the Public Good

ERIC Educational Resources Information Center

Corrigan, Julie Ann; Ng-A-Fook, Nicholas

2012-01-01

Despite societal imperatives for equity--whether espoused by nation states or transnational agencies like UNESCO--current models of higher education are unequivocally failing to provide universal access. This paper seeks to explore the (cyber)spaces (un)occupied by higher education, specifically in the area of curriculum studies, arguing that the…

The Arabic Language; Its Role in History.

ERIC Educational Resources Information Center

Chejne, Anwar G.

This book reviews the position Arabic has traditionally occupied in Arab-Muslim society, and its role in the task of building a nation state. The work is aimed to aid students of Arabic and Arabic lore and add to a greater understanding of the historical factors which made Arabic a revered language in Arabic-Muslim cultural and religious…

Computational Modeling | Bioenergy | NREL

Science.gov Websites

molecules dissociates and an H-H pair is formed. The atomic structure of state 3 is shown in the lower inset -dissociation of the first H2 molecule. The structure and partial charge density (at the highest occupied band depicted by the illustration to the left determined the structure and binding orientation of several

36 CFR 251.17 - Grantor's right to occupy and use lands conveyed to the United States.

Code of Federal Regulations, 2014 CFR

2014-07-01

... taken by the grantor and all persons acting for or claiming under him to prevent and suppress forest... creating the reservation. (d) The grantor and all persons acting for or claiming under him shall maintain the premises and all buildings and structures thereon in proper repair and sanitation and shall comply...

36 CFR 251.17 - Grantor's right to occupy and use lands conveyed to the United States.

Code of Federal Regulations, 2013 CFR

2013-07-01

... taken by the grantor and all persons acting for or claiming under him to prevent and suppress forest... creating the reservation. (d) The grantor and all persons acting for or claiming under him shall maintain the premises and all buildings and structures thereon in proper repair and sanitation and shall comply...

36 CFR 251.17 - Grantor's right to occupy and use lands conveyed to the United States.

Code of Federal Regulations, 2012 CFR

2012-07-01

... taken by the grantor and all persons acting for or claiming under him to prevent and suppress forest... creating the reservation. (d) The grantor and all persons acting for or claiming under him shall maintain the premises and all buildings and structures thereon in proper repair and sanitation and shall comply...

36 CFR 251.17 - Grantor's right to occupy and use lands conveyed to the United States.

Code of Federal Regulations, 2010 CFR

2010-07-01

... taken by the grantor and all persons acting for or claiming under him to prevent and suppress forest... creating the reservation. (d) The grantor and all persons acting for or claiming under him shall maintain the premises and all buildings and structures thereon in proper repair and sanitation and shall comply...

77 FR 1923 - Solia 8 Hydroelectric, LLC, FFP Missouri 13, LLC, et al.; Notice of Intent To File License...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-01-12

... Filed: November 16, 2011. d. Submitted By: Free Flow Power Corporation on behalf of its subsidiary limited liability corporations (listed above and collectively referred to below as ``Free Flow Power''). e... would occupy United States lands administered by the U.S. Army Corps of Engineers. Project No. Projects...

Radioactive waste disposal package

DOEpatents

Lampe, Robert F.

1986-11-04

A radioactive waste disposal package comprising a canister for containing vitrified radioactive waste material and a sealed outer shell encapsulating the canister. A solid block of filler material is supported in said shell and convertible into a liquid state for flow into the space between the canister and outer shell and subsequently hardened to form a solid, impervious layer occupying such space.

Radioactive waste disposal package

DOEpatents

Lampe, Robert F.

1986-01-01

A radioactive waste disposal package comprising a canister for containing vitrified radioactive waste material and a sealed outer shell encapsulating the canister. A solid block of filler material is supported in said shell and convertible into a liquid state for flow into the space between the canister and outer shell and subsequently hardened to form a solid, impervious layer occupying such space.

38 CFR 14.705 - Authority to file petitions for appointment of fiduciaries in State courts.

Code of Federal Regulations, 2011 CFR

2011-07-01

... the written consent of: (1) The beneficiary's spouse. (2) The beneficiary's adult child, parent, adult... the minor's natural or adoptive parent or parents or the person or persons occupying the relationship... over the objections of such parent or parents if they are sui juris unless the parent or parents have...

38 CFR 14.705 - Authority to file petitions for appointment of fiduciaries in State courts.

Code of Federal Regulations, 2012 CFR

2012-07-01

... the written consent of: (1) The beneficiary's spouse. (2) The beneficiary's adult child, parent, adult... the minor's natural or adoptive parent or parents or the person or persons occupying the relationship... over the objections of such parent or parents if they are sui juris unless the parent or parents have...

38 CFR 14.705 - Authority to file petitions for appointment of fiduciaries in State courts.

Code of Federal Regulations, 2013 CFR

2013-07-01

... the written consent of: (1) The beneficiary's spouse. (2) The beneficiary's adult child, parent, adult... the minor's natural or adoptive parent or parents or the person or persons occupying the relationship... over the objections of such parent or parents if they are sui juris unless the parent or parents have...

A survey of animal-powered logging in Alabama

Treesearch

Christopher W. Toms; Mark R. Dubois; John C. Bliss; John H. Wilhoit; Robert B. Rummer

2001-01-01

In a state with a very large, highly mechanized timber harvesting industry, animal-powered logging still occupies a niche in Alabama as a small-scale harvesting alternative. This article summarizes the results from a study that examined the extent of animal logging in Alabama. We investigated this topic by asking who is logging with animals, where are they working,...

Rooftop Solar Technical Potential for Low-to-Moderate Income Households in

Science.gov Websites

communities. A map of the United States, divided by county, is color-coded by the total solar technical of LMI households in the U.S. (approximately 43 percent), this analysis reveals two other important city governments, though to do so requires deployment on multi-family and renter-occupied buildings

Fire effects on California chaparral systems: an overview

Treesearch

S.C. Barro; S.G. Conard

1991-01-01

Chaparral is a shrubby, sclerophyllous vegetation type that is common in middle elevations throughout much of California. It occupies 3.4 Mha throughout the state in some of the steepest terrain and adjacent to some of the most populated urban areas. Although chaparral has little direct commodity value, it does have great value in slope stabilization, watershed cover,...

Mind the Gap: Political Science Education in Community Colleges

ERIC Educational Resources Information Center

Yanus, Alixandra B.; O'Connor, Karen; Weakley, Jon L.

2012-01-01

Community colleges occupy a growing role in the American education system. Their unique cross-section of students poses a challenge for teachers of political science. This paper uses information from a survey completed by over 2,000 students at 20 colleges and universities across the United States to shed light on some of the most significant…

12 CFR 591.5 - Limitation on exercise of due-on-sale clauses.

Code of Federal Regulations, 2010 CFR

2010-01-01

... penalties and forfeitures, equitable restrictions and state law dealing with equitable transfers. (b..., or operation of law on the death of a joint tenant or tenant by the entirety; (iv) The granting of a... occupy the property, which is: (A) A transfer to a relative resulting from the death of the borrower; (B...

A numerical method for the dynamics of non-spherical cavitation bubbles

NASA Technical Reports Server (NTRS)

Lucca, G.; Prosperetti, A.

1982-01-01

A boundary integral numerical method for the dynamics of nonspherical cavitation bubbles in inviscid incompressible liquids is described. Only surface values of the velocity potential and its first derivatives are involved. The problem of solving the Laplace equation in the entire domain occupied by the liquid is thus avoided. The collapse of a bubble in the vicinity of a solid wall and the collapse of three bubbles with collinear centers are considered.

Children Studying in a Wrong Language: Russian-Speaking Children in Estonian School Twenty Years after the Collapse of the Soviet Union

ERIC Educational Resources Information Center

Toomela, Aaro, Ed.; Kikas, Eve, Ed.

2012-01-01

The Soviet Union collapsed more than 20 years ago, but the traces left in occupied countries by this monstrous system still affect the lives of millions of people. Under the glittering surface of newsworthy events that regularly appear in the mass media, there are many other wounds hard to heal. The system of education is one of the social…

First-principles study of the atomic and electronic properties of (1 0 0) stacking faults in BaSnO3 crystal

NASA Astrophysics Data System (ADS)

Xue, Yuanbin; Wang, Wenyuan; Guo, Yao

2018-02-01

We investigated the atomic and electronic properties of (1 0 0) stacking fault (SF) in undoped and La-doped BaSnO3 by first-principles calculations. It was found that 1/2[1 1 1] (1 0 0) SF is energetically favorable when Ba atoms occupy the interface while 1/2 (1 0 0) [1 0 1] SF becomes the most stable when the SF interface is occupied by Sn atoms. SF influences the distribution of La dopant and the electric properties of the system. In the presence of SF, electronic states near the Fermi level decrease and the bandgap expands by about 0.6 eV. Our results suggest that SF is one of the possible origins for the performance degradation.

Extinction threshold for spatial forest dynamics with height structure.

PubMed

Garcia-Domingo, Josep L; Saldaña, Joan

2011-05-07

We present a pair-approximation model for spatial forest dynamics defined on a regular lattice. The model assumes three possible states for a lattice site: empty (gap site), occupied by an immature tree, and occupied by a mature tree, and considers three nonlinearities in the dynamics associated to the processes of light interference, gap expansion, and recruitment. We obtain an expression of the basic reproduction number R(0) which, in contrast to the one obtained under the mean-field approach, uses information about the spatial arrangement of individuals close to extinction. Moreover, we analyze the corresponding survival-extinction transition of the forest and the spatial correlations among gaps, immature and mature trees close to this critical point. Predictions of the pair-approximation model are compared with those of a cellular automaton. Copyright © 2011 Elsevier Ltd. All rights reserved.

Coupled Gravity and Elevation Measurement of Ice Sheet Mass Change

NASA Technical Reports Server (NTRS)

Jezek, K. C.; Baumgartner, F.

2005-01-01

During June 2003, we measured surface gravity at six locations about a glaciological measurement site located on the South-central Greenland Ice. We operated a GPS unit for 90 minutes at each site -the unit was operated simultaneously with a base station unit in Sondrestrom Fjord so as to enable differential, post-processing of the data. We installed an aluminum, accumulation-rate-pole at each site. The base section of the pole also served as the mount for the GPS antenna. Two gravimeters were used simultaneously at each site. Measurements were repeated at each site with at time lapse of at least 50 minutes. We measured snow physical properties in two shallow pits The same measurement sites were occupied in 1981 and all were part of a hexagonal network of geodetic and glaciological measurements established by The Ohio State University in 1980. Additional gravity observations were acquired at three of the sites in 1993 and 1995. Gravity data were collected in conjunction with Doppler satellite measurements of position and elevation in 1981 and global positioning system measurements subsequently. The use of satellite navigation techniques permitted reoccupation of the same sites in each year to within a few 10 s of meters or better. After detrending the gravity data, making adjustments for tides and removing the residual effects of local spatial gradients in gravity, we observe an average secular decrease in gravity of about 0.01 milligal/year, but with tenths of milligal variations about the mean trend. The trend is consistent with a nearly linear increase in surface elevation of between 7 to 10 c d y r (depending on location) as measured by repeated airborne laser altimeter, surface Doppler satellite and GPS elevation measurements. Differences between the residual gravity anomalies after free air correction may be attributable to local mass changes. This project is a collaboration between the Byrd Polar Research Center of the Ohio State University and the Arctic Technology Center of the Danish Technical University.

Does Marine Surface Tension Have Global Biogeography? Addition for the OCEANFILMS Package

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

Elliott, Scott; Burrows, Susannah; Cameron-Smith, Philip

We apply principles of Gibbs phase plane chemistry across the entire ocean-atmosphere interface to investigate aerosol generation and geophysical transfer issues. Marine surface tension differences comprise a tangential pressure field controlling trace gas fluxes, primary organic inputs, and sea spray salt injections, in addition to heat and momentum fluxes. Mapping follows from the organic microlayer composition, now represented in ocean system models. Organic functional variations drive the microforcing, leading to (1) reduced turbulence and (by extension) laminar gas-energy diffusion; plus (2) altered bubble film mass emission into the boundary layer. Interfacial chemical behaviors are, therefore, closely reviewed as the background.more » We focus on phase transitions among two dimensional "solid, liquid, and gaseous" states serving as elasticity indicators. From the pool of dissolved organic carbon (DOC) only proteins and lipids appear to occupy significant atmospheric interfacial areas. The literature suggests albumin and stearic acid as the best proxies, and we distribute them through ecodynamic simulation. Consensus bulk distributions are obtained to control their adsorptive equilibria. We devise parameterizations for both the planar free energy and equation of state, relating excess coverage to the surface pressure and its modulus. Constant settings for the molecular surrogates are drawn from laboratory study and successfully reproduce surfactant solid-to-gas occurrence in compression experiments. Since DOC functionality measurements are rare, we group them into super-ecological province tables to verify aqueous concentration estimates. Outputs are then fed into a coverage, tension, elasticity code. The resulting two dimensional pressure contours cross a critical range for the regulation of precursor piston velocity, bubble breakage, and primary aerosol sources plus ripple damping. Concepts extend the water-air adsorption theory currently embodied in our OCEANFILMS aerosol emissions package, and the two approaches could be inserted into Earth System Models together. Uncertainties in the logic include kinetic and thermochemical factors operating at multiple scales.« less

Managing the equipment service life in rendering engineering support to NPP operation

NASA Astrophysics Data System (ADS)

Ryasnyy, S. I.

2015-05-01

Apart from subjecting metal to nondestructive testing and determining its actual state, which are the traditional methods used for managing the service life of NPP equipment during its operation, other approaches closely linked with rendering engineering support to NPP operation have emerged in recent decades, which, however, have been covered in publications to a lesser extent. Service life management matters occupy the central place in the structure of engineering support measures. Application of the concept of repairing NPP equipment based on assessing its technical state and the risk of its failure makes it possible to achieve significantly smaller costs for maintenance and repairs and produce a larger amount of electricity due to shorter planned outages. Decreasing the occurrence probability of a process-related abnormality through its prediction is a further development of techniques for monitoring the technical state of equipment and systems. The proposed and implemented procedure for predicting the occurrence of process-related deviations from normal NPP operation opens the possibility to record in the online mode the trends in changes of process parameters that are likely to lead to malfunctions in equipment operation and to reduce the probability of power unit unloading when an abnormal technical state of equipment occurs and develops by recording changes in the state at an early stage and taking timely corrective measures. The article presents the structure of interconnections between the objectives and conditions of adjustment and commissioning tests, in which the management of equipment service life (saving and optimizing the service life) occupies the central place. Special attention is paid to differences in resource saving and optimization measures.

The origin of life is a spatially localized stochastic transition

PubMed Central

2012-01-01

Background Life depends on biopolymer sequences as catalysts and as genetic material. A key step in the Origin of Life is the emergence of an autocatalytic system of biopolymers. Here we study computational models that address the way a living autocatalytic system could have emerged from a non-living chemical system, as envisaged in the RNA World hypothesis. Results We consider (i) a chemical reaction system describing RNA polymerization, and (ii) a simple model of catalytic replicators that we call the Two’s Company model. Both systems have two stable states: a non-living state, characterized by a slow spontaneous rate of RNA synthesis, and a living state, characterized by rapid autocatalytic RNA synthesis. The origin of life is a transition between these two stable states. The transition is driven by stochastic concentration fluctuations involving relatively small numbers of molecules in a localized region of space. These models are simulated on a two-dimensional lattice in which reactions occur locally on single sites and diffusion occurs by hopping of molecules to neighbouring sites. Conclusions If diffusion is very rapid, the system is well-mixed. The transition to life becomes increasingly difficult as the lattice size is increased because the concentration fluctuations that drive the transition become relatively smaller when larger numbers of molecules are involved. In contrast, when diffusion occurs at a finite rate, concentration fluctuations are local. The transition to life occurs in one local region and then spreads across the rest of the surface. The transition becomes easier with larger lattice sizes because there are more independent regions in which it could occur. The key observations that apply to our models and to the real world are that the origin of life is a rare stochastic event that is localized in one region of space due to the limited rate of diffusion of the molecules involved and that the subsequent spread across the surface is deterministic. It is likely that the time required for the deterministic spread is much shorter than the waiting time for the origin, in which case life evolves only once on a planet, and then rapidly occupies the whole surface. Reviewers Reviewed by Omer Markovitch (nominated by Doron Lancet), Claus Wilke, and Nobuto Takeuchi (nominated by Eugene Koonin). PMID:23176307

Zone-specific cell biosynthetic activity in mature bovine articular cartilage: a new method using confocal microscopic stereology and quantitative autoradiography.

PubMed

Wong, M; Wuethrich, P; Eggli, P; Hunziker, E

1996-05-01

A new methodology was developed to measure spatial variations in chondrocyte/matrix structural parameters and chondrocyte biosynthetic activity in articular cartilage. This technique is based on the use of a laser scanning confocal microscope that can "optically" section chemically fixed, unembedded tissue. The confocal images are used for morphometric measurement of stereologic parameters such as cell density (cells/mm3), cell volume fraction (%), surface density (l/cm), mean cell volume (micron3), and mean cell surface area (micron2). Adjacent pieces of tissue are simultaneously processed for conventional liquid emulsion autoradiography, and a semiautomated grain counting program is used to measure the silver grain density at regions corresponding to the same sites used for structural measurements. An estimate of chondrocyte biosynthetic activity in terms of grains per cell is obtained by dividing the value for grain density by that for cell density. In this paper, the newly developed methodology was applied to characterize the zone-specific behavior of adult articular cartilage in the free-swelling state. Cylinders of young adult bovine articular cartilage were labelled with either [3H]proline or [35S]sulfate, and chondrocyte biosynthesis and structural parameters were measured from the articular surface to the tidemark. The results showed that chondrocytes of the radial zone occupied twice the volume and surface area of the chondrocytes of the superficial zone but were 10 times more synthetically active. This efficient and unbiased technique may prove useful in studying the correlation between mechanically induced changes in cell form and biosynthetic activity within inhomogeneous tissue as well as metabolic changes in cartilage due to ageing and disease.

Effective removal of trace thallium from surface water by nanosized manganese dioxide enhanced quartz sand filtration.

PubMed

Huangfu, Xiaoliu; Ma, Chengxue; Ma, Jun; He, Qiang; Yang, Chun; Zhou, Jian; Jiang, Jin; Wang, Yaan

2017-12-01

Thallium (Tl) has drawn wide concern due to its high toxicity even at extremely low concentrations, as well as its tendency for significant accumulation in the human body and other organisms. The need to develop effective strategies for trace Tl removal from drinking water is urgent. In this study, the removal of trace Tl (0.5 μg L -1 ) by conventional quartz sand filtration enhanced by nanosized manganese dioxide (nMnO 2 ) has been investigated using typical surface water obtained from northeast China. The results indicate that nMnO 2 enhanced quartz sand filtration could remove trace Tl(I) and Tl(III) efficiently through the adsorption of Tl onto nMnO 2 added to a water matrix and onto nMnO 2 attached on quartz sand surfaces. Tl(III)-HA complexes might be responsible for higher residual Tl(III) in the effluent compared to residual Tl(I). Competitive Ca 2+ cations inhibit Tl removal to a certain extent because the Ca 2+ ions will occupy the Tl adsorption site on nMnO 2 . Moreover, high concentrations of HA (10 mgTOC L -1 ), which notably complexes with and dissolves nMnO 2 (more than 78%), resulted in higher residual Tl(I) and Tl(III). Tl(III)-HA complexes might also enhance Tl(III) penetration to a certain extent. Additionally, a higher pH level could enhance the removal of trace Tl from surface water. Finally, a slight increase of residual Tl was observed after backwash, followed by the reduction of the Tl concentration in the effluent to a "steady" state again. The knowledge obtained here may provide a potential strategy for drinking water treatment plants threatened by trace Tl. Copyright © 2017. Published by Elsevier Ltd.

Inhibition of ATP Synthase by Chlorinated Adenosine Analogue

PubMed Central

Chen, Lisa S.; Nowak, Billie J.; Ayres, Mary L.; Krett, Nancy L.; Rosen, Steven T.; Zhang, Shuxing; Gandhi, Varsha

2009-01-01

8-Chloroadenosine (8-Cl-Ado) is a ribonucleoside analogue that is currently in clinical trial for chronic lymphocytic leukemia. Based on the decline in cellular ATP pool following 8-Cl-Ado treatment, we hypothesized that 8-Cl-ADP and 8-Cl-ATP may interfere with ATP synthase, a key enzyme in ATP production. Mitochondrial ATP synthase is composed of two major parts; FO intermembrane base and F1 domain, containing α and β subunits. Crystal structures of both α and β subunits that bind to the substrate, ADP, are known in tight binding (αdpβdp) and loose binding (αtpβtp) states. Molecular docking demonstrated that 8-Cl-ADP/8-Cl-ATP occupied similar binding modes as ADP/ATP in the tight and loose binding sites of ATP synthase, respectively, suggesting that the chlorinated nucleotide metabolites may be functional substrates and inhibitors of the enzyme. The computational predictions were consistent with our whole cell biochemical results. Oligomycin, an established pharmacological inhibitor of ATP synthase, decreased both ATP and 8-Cl-ATP formation from exogenous substrates, however, did not affect pyrimidine nucleoside analogue triphosphate accumulation. Synthesis of ATP from ADP was inhibited in cells loaded with 8-Cl-ATP. These biochemical studies are in consent with the computational modeling; in the αtpβtp state 8-Cl-ATP occupies similar binding as ANP, a non-hydrolyzable ATP mimic that is a known inhibitor. Similarly, in the substrate binding site (αdpβdp) 8-Cl-ATP occupies a similar position as ATP mimic ADP-BeF3 −. Collectively, our current work suggests that 8-Cl-ADP may serve as a substrate and the 8-Cl-ATP may be an inhibitor of ATP synthase. PMID:19477165

Trapping of hydrogen atoms in X-irradiated salts at room temperature and the decay kinetics

NASA Technical Reports Server (NTRS)

May, C. E.; Philipp, W. H.; Marsik, S. J.

1974-01-01

The salts (hypophosphites, formates, a phosphite, a phosphate, and an oxalate) were X-irradiated, whereby hydrogen formed chemically by a radiolytic process becomes trapped in the solid. By room temperature vacuum extraction, the kinetics for the evolution of this trapped hydrogen was studied mass spectrometrically. All salts except two exhibited second-order kinetics. The two exceptions (NaH2PO2(H2O) and K2HPO4) showed first-order kinetics. Based on experimental results, the escape of hydrogen involves three steps: the diffusion of hydrogen atoms from the bulk to the surface, association of these atoms on the surface (rate controlling step for second-order hydrogen evolution), and the desorption of molecular hydrogen from the surface. The hydrogen does not escape if the irradiated salt is stored in air, apparently because adsorbed air molecules occupy surface sites required in the escape mechanism.

Geometry of α-Cr2O3(0001) as a Function of H2O Partial Pressure

PubMed Central

2015-01-01

Surface X-ray diffraction has been employed to elucidate the surface structure of α-Cr2O3(0001) as a function of water partial pressure at room temperature. In ultra high vacuum, following exposure to ∼2000 Langmuir of H2O, the surface is found to be terminated by a partially occupied double layer of chromium atoms. No evidence of adsorbed OH/H2O is found, which is likely due to either adsorption at minority sites, or X-ray induced desorption. At a water partial pressure of ∼30 mbar, a single OH/H2O species is found to be bound atop each surface Cr atom. This adsorption geometry does not agree with that predicted by ab initio calculations, which may be a result of some differences between the experimental conditions and those modeled. PMID:26877825

Multipole surface plasmons in metallic nanohole arrays

NASA Astrophysics Data System (ADS)

Nishida, Munehiro; Hatakenaka, Noriyuki; Kadoya, Yutaka

2015-06-01

The quasibound electromagnetic modes for the arrays of nanoholes perforated in thin gold film are analyzed both numerically by the rigorous coupled wave analysis (RCWA) method and semianalytically by the coupled mode method. It is shown that when the size of the nanohole occupies a large portion of the unit cell, the surface plasmon polaritons (SPPs) at both sides of the film are combined by the higher order waveguide modes of the holes to produce multipole surface plasmons: coupled surface plasmon modes with multipole texture on the elec-tric field distributions. Further, it is revealed that the multipole texture either enhances or suppresses the couplings between SPPs depending on their diffraction orders and also causes band inversion and reconstruction in the coupled SPP band structure. Due to the multipole nature of the quasibound modes, multiple dark modes coexist to produce a variety of Fano resonance structures on the transmission and reflection spectra.

Recognition of foreign oviposition-marking pheromone in a multi-trophic context

NASA Astrophysics Data System (ADS)

Stelinski, L. L.; Rodriguez-Saona, C.; Meyer, W. L.

2009-05-01

Both phytophagous and parasitic insects deposit oviposition-marking pheromones (OMPs) following oviposition that function to inform conspecifics of a previously utilized host of reduced suitability. The blueberry maggot fly, Rhagoletis mendax Curran (Diptera: Tephritidae), deposits eggs individually into blueberries and then marks the fruit surface with an OMP which reduces acceptance of fruit for oviposition by conspecifics. Diachasma alloeum (Muesebeck) (Hymenoptera: Braconidae) is a parasitic wasp attacking larval R. mendax which also deposits an OMP, signaling conspecifics of a wasp-occupied host. Behavioral studies were conducted testing the hypothesis that the OMP of the parasitic wasp modifies the oviposition behavior of its host fly. In this study, we show that the OMP of D. alloeum is recognized by R. mendax, and female flies will reject wasp-marked fruit for oviposition. Thus, we present a rare demonstration of pheromonal recognition between animals occupying different taxonomic orders and trophic levels. This chemical eavesdropping may enhance the ability of the fly to avoid fruit unsuitable for larval development.

Influence of graphene quantum dots on electrical properties of polymer composites

NASA Astrophysics Data System (ADS)

Arthisree, D.; Joshi, Girish M.

2017-07-01

We successfully prepared synthetic nanocomposite (SNC) by dispersing graphene quantum dots (GQD) in cellulose acetate (CA) polymer system. The dispersion and occupied network of GQD were foreseen by microscopic techniques. The variation of plane to crossed linked array network was observed by the polarizing optical microscopic (POM) technique. The scanning electron microscopy (SEM) revealed the leaves like impressions of GQD in host polymer system. The series network of GQD occupied in CA at higher resolution was confirmed by transmission electron microscopy (TEM). The two dimensional (2D) topographic images demonstrated an entangled polymer network to plane morphology. The variation in surface roughness was evaluated from the dimensional (3D) topography. The influence of temperature on AC conductivity with highest value (4  ×  10-5 S cm-1), contributes to the decrease in activation energy. The DC conductivity obeys the percolation criteria co-related to the GQD loading by weight fraction. Furthermore, this synthetic nanocomposite is feasible for the development of sensing and electrical applications.

Astronomy in Denver: Spatial distributions of dust properties via far-IR broadband map with HerPlaNS

NASA Astrophysics Data System (ADS)

Asano, Kentaro; Ueta, Toshiya; Ladjal, Djazia; Exter, Katrina; Otsuka, Masaaki; HerPlaNS Consortium

2018-06-01

We present the results of our analyses on dust properties in all of Galactic planetary nebulae based on 5-band broadband images in the far-IR taken with the Herschel Space Observatory.By fitting surface brightness distributions of dust thermal emission at 70, 160, 250, 350 and 500 microns with a single-temperature modified black body function, we derive spatially resolved maps of the dust emissivity power-law index (beta) and dust temperature (Td), as well as the column density.We find that circumstellar dust grains in PNe occupy a specific region in the beta-Td space, which is distinct from that occupied by dust grains in the Interstellar Matter (ISM) and star forming regions (SFRs). Unlike those in the ISM and SFRs, dust grains in PNe exhibit little variation in beta while a large spread in Td, suggesting rather homogeneous dust properties.This work is part of the Herschel Planetary Nebula Survey Plus (HerPlaNS+) supported by the NASA Astrophysics Data Analysis Program.

An air pollution modeling study using three surface coverings near the New International Airport of Mexico City.

PubMed

Jazcilevich, Arón D; García, Agustín R; Ruiz-Suárez, Luis-Gerardo

2003-10-01

The dry lakebed of what once was the lake of Texcoco is the location selected for the New International Airport of Mexico City. This project will generate an important urban development near the airport with regional implications on air quality. Using a prognostic air quality model, the consequences of photochemical air pollution in the metropolitan area of Mexico City resulting from three possible coverings for the areas of the lakebed that are not occupied by the runway and terminal building are investigated. These coverings are desert, grassland, and water and occupy an area of 63 km2. This study is based on a representative high pollution episode. In addition to reducing the emission of primary natural particles, the water covering generates a land-water breeze capable of maintaining enough ventilation to reduce pollutant concentrations over a localized region of the metropolitan area and may enhance the wind speed on the coasts of the proposed lake.

The SO(3)×SO(3)×U(1) Hubbard model on a square lattice in terms of c and αν fermions and deconfined η-spinons and spinons

NASA Astrophysics Data System (ADS)

Carmelo, J. M. P.

2012-03-01

In this paper, a general description for the Hubbard model with nearest-neighbor transfer integral t and on-site repulsion U on a square lattice with Na2≫1 sites is introduced. It refers to three types of elementary objects whose occupancy configurations generate the state representations of the model extended global SO(3)×SO(3)×U(1) symmetry recently found in Ref. [11] (Carmelo and Östlund, 2010). Such objects emerge from a suitable electron-rotated-electron unitary transformation. It is such that rotated-electron single and double occupancy are good quantum numbers for U≠0. The advantage of the description is that it accounts for the new found hidden U(1) symmetry in SO(3)×SO(3)×U(1)=[SU(2)×SU(2)×U(1)]/Z22 beyond the well-known SO(4)=[SU(2)×SU(2)]/Z2 model (partial) global symmetry. Specifically, the hidden U(1) symmetry state representations store full information on the positions of the spins of the rotated-electron singly occupied sites relative to the remaining sites. Profiting from that complementary information, for the whole U/4t>0 interaction range independent spin state representations are naturally generated in terms of spin-1/2 spinon occupancy configurations in a spin effective lattice. For all states, such an effective lattice has as many sites as spinons. This allows the extension to intermediate U/4t values of the usual large-U/4t descriptions of the spin degrees of freedom of the electrons that singly occupy sites, now in terms of the spins of the singly-occupied sites rotated electrons. The operator description introduced in this paper brings about a more suitable scenario for handling the effects of hole doping. Within this, such effects are accounted for in terms of the residual interactions of the elementary objects whose occupancy configurations generate the state representations of the charge hidden U(1) symmetry and spin SU(2) symmetry, respectively. This problem is investigated elsewhere. The most interesting physical information revealed by the description refers to the model on the subspace generated by the application of one- and two-electron operators onto zero-magnetization ground states. (This is the square-lattice quantum liquid further studied in Ref. [5] (Carmelo, 2010).) However, to access such an information, one must start from the general description introduced in this paper, which refers to the model in the full Hilbert space.

First-principles calculations of the magnetic properties of (Cd,Mn)Te nanocrystals

NASA Astrophysics Data System (ADS)

Echeverría-Arrondo, C.; Pérez-Conde, J.; Ayuela, A.

2009-04-01

We investigate the electronic and magnetic properties of Mn-doped CdTe nanocrystals (NCs) with ˜2nm in diameter which can be experimentally synthesized with Mn atoms inside. Using the density-functional theory, we consider two doping cases: NCs containing one or two Mn impurities. Although the Mnd peaks carry five up electrons in the dot, the local magnetic moment on the Mn site is 4.65μB . It is smaller than 5μB because of the sp-d hybridization between the localized 3d electrons of the Mn atoms and the s - and p -type valence states of the host compound. The sp-d hybridization induces small magnetic moments on the Mn-nearest-neighbor Te sites, antiparallel to the Mn moment affecting the p -type valence states of the undoped dot, as usual for a kinetic-mediated exchange magnetic coupling. Furthermore, we calculate the parameters standing for the sp-d exchange interactions. Conduction N0α and valence N0β are close to the experimental bulk values when the Mn impurities occupy bulklike NCs’ central positions, and they tend to zero close to the surface. This behavior is further explained by an analysis of valence-band-edge states showing that symmetry breaking splits the states and in consequence reduces the exchange. For two Mn atoms in several positions, the valence edge states show a further departure from an interpretation based in a perturbative treatment. We also calculate the d-d exchange interactions |Jdd| between Mn spins. The largest |Jdd| value is also for Mn atoms on bulklike central sites; in comparison with the experimental d-d exchange constant in bulk Cd0.95Mn0.05Te , it is four times smaller.

Thin Films and Interfaces of AN Organic Semiconductor: Perylenetetracarboxylic Dianhydride

NASA Astrophysics Data System (ADS)

Hirose, Yutaka

Structural and electronic properties of thin films of an archetype organic molecular semiconductor, 3,4,9,10 -perylenetetracarboxylic dianhydride, (PTCDA) and of their interfaces are investigated. The first part of the thesis focuses on the growth of PTCDA thin films on graphite and GaAs. Molecular order in the direction parallel to the substrate is found to depend critically on the substrate surface properties, as revealed by marked differences in the crystallinity of films grown on graphite and Se-passivated GaAs surfaces (long range order), on the c(4 x 4) GaAs surface (medium range order), and on the (2 x 4)-c(2 x 8) GaAs surface (short range order). These results are discussed in terms of interface bonding between molecules and the substrate. The second part deals with the electronic and chemical structure of PTCDA thin films and the band lineup of the PTCDA/GaAs heterojunction investigated by Ultraviolet - and X-ray Photoemission Spectroscopies. A basic understanding of the valence band structure and chemical states is obtained with the help of a semi-empirical molecular orbital calculation. At the PTCDA/GaAs interface, the PTCDA highest occupied molecular orbital is found to be ~0.7 eV below the GaAs valence band maximum. This result is discussed in light of previous electrical measurements. Third, chemistry of metal deposition on PTCDA is investigated by synchrotron radiation photoemission spectroscopy. Al, Ti, In, and Sn are found to be highly reactive against PTCDA, yielding a considerable interfacial layer with a large density of states in the PTCDA gap. Ag and Au are found to be inert against PTCDA, producing abrupt interfaces. These results are found to be directly correlated with the electrical properties. Finally, chemistry of contacts formed by reversing the sequence of deposition, i.e. PTCDA on reactive metals (In, Sn, and Ti) is explored. The interfacial layers are found to be considerably smaller than for metals on PTCDA, in accordance with the reverse order of heats of adsorption of the two materials. The resulting interfaces are more abrupt presumably leading to more rectifying character of the electrical contacts.

The nature of the bonding in XCO for X = Fe, Ni, and Cu

NASA Technical Reports Server (NTRS)

Bauschlicher, C. W., Jr.; Bagus, P. S.; Nelin, C. J.; Roos, B. O.

1986-01-01

The bonding in the (5,3)Sigma - and 3Delta states of FeCO, the (3,1)Sigma + , 3Delta, and 3Pi states of NiCO, and the 2Sigma + state of CuCO are analyzed using the constrained-space orbital-variation (CSOV) technique for both (CASSCF) and SCF wave functions. The bonding is discussed in terms of sigma repulsion between the metals 4s and the CO 5-sigma and CO-to-metal sigma donation when there is an empty or partly occupied d-sigma orbital and metal-to-CO 2pi(asterisk) backdonation. The bonding is compared for the different metals and between the different states.

Ultrafast carrier dynamics in band edge and broad deep defect emission ZnSe nanowires

NASA Astrophysics Data System (ADS)

Othonos, Andreas; Lioudakis, Emmanouil; Philipose, U.; Ruda, Harry E.

2007-12-01

Ultrafast carrier dynamics of ZnSe nanowires grown under different growth conditions have been studied. Transient absorption measurements reveal the dependence of the competing effects of state filling and photoinduced absorption on the probed energy states. The relaxation of the photogenerated carriers occupying defect states in the stoichiometric and Se-rich samples are single exponentials with time constants of 3-4ps. State filling is the main contribution for probe energies below 1.85eV in the Zn-rich grown sample. This ultrafast carrier dynamics study provides an important insight into the role that intrinsic point defects play in the observed photoluminescence from ZnSe nanowires.

24 CFR 81.17 - Affordability-Income level definitions-family size and income known (owner-occupied units, actual...

Code of Federal Regulations, 2010 CFR

2010-04-01

... definitions-family size and income known (owner-occupied units, actual tenants, and prospective tenants). 81...—Income level definitions—family size and income known (owner-occupied units, actual tenants, and...-income families, where the unit is owner-occupied or, for rental housing, family size and income...

Analytical energy gradient for the two-component normalized elimination of the small component method

NASA Astrophysics Data System (ADS)

Zou, Wenli; Filatov, Michael; Cremer, Dieter

2015-06-01

The analytical gradient for the two-component Normalized Elimination of the Small Component (2c-NESC) method is presented. The 2c-NESC is a Dirac-exact method that employs the exact two-component one-electron Hamiltonian and thus leads to exact Dirac spin-orbit (SO) splittings for one-electron atoms. For many-electron atoms and molecules, the effect of the two-electron SO interaction is modeled by a screened nucleus potential using effective nuclear charges as proposed by Boettger [Phys. Rev. B 62, 7809 (2000)]. The effect of spin-orbit coupling (SOC) on molecular geometries is analyzed utilizing the properties of the frontier orbitals and calculated SO couplings. It is shown that bond lengths can either be lengthened or shortened under the impact of SOC where in the first case the influence of low lying excited states with occupied antibonding orbitals plays a role and in the second case the jj-coupling between occupied antibonding and unoccupied bonding orbitals dominates. In general, the effect of SOC on bond lengths is relatively small (≤5% of the scalar relativistic changes in the bond length). However, large effects are found for van der Waals complexes Hg2 and Cn2, which are due to the admixture of more bonding character to the highest occupied spinors.

Overlayer growth and electronic properties of the Bi/GaSb(110) interface

NASA Astrophysics Data System (ADS)

Gavioli, Luca; Betti, Maria Grazia; Casarini, Paolo; Mariani, Carlo

1995-06-01

The overlayer growth and electronic properties of the Bi/GaSb(110) interface and of the two-dimensional ordered (1×1)- and (1×2)-Bi layers have been investigated by complementary spectroscopic techniques (high-resolution electron-energy-loss, photoemission, and Auger spectroscopy). Bismuth forms an epitaxial monolayer, followed by island formation (Stranski-Krastanov growth mode) covering an average surface area of 40% at a nominal coverage of 4 ML. The (1×2)-symmetry stable structural phase, obtained after annealing at ~220 °C, corresponds to an average nominal Bi coverage of about 0.7 ML, suggesting an atomic geometry different from the epitaxial-continued layer structure. The disposal of Bi atoms in the (1×2) structure should build up an ``open'' layer, as the Ga-related surface exciton quenched in the (1×1) epitaxial monolayer is present in the (1×2) stable phase. The two symmetry phases are characterized by strong absorption features at 1 eV [(1×1)-Bi] and 0.54 eV [(1×2)-Bi], related to interband electronic transitions between Bi-induced electronic states. The major Bi-related occupied electronic levels, present in the valence band of the (1×1)- and (1×2)-Bi layer, have been detected by angle-integrated ultraviolet photoemission spectroscopy. Both the (1×1) and (1×2) phases show a metallic nature, with a low density of electronic states at the Fermi level. Schottky barrier heights of 0.20 and 0.14 eV are estimated for the epitaxial (1×1)- and (1×2)-symmetry stage, respectively, by analyzing the space-charge layer conditions through the study of the dopant-induced free-carrier plasmon in the GaSb substrate.

Numerical modeling of mechanical behavior of multilayered composite plates with defects under static loading

NASA Astrophysics Data System (ADS)

Korepanov, V. V.; Serovaev, G. S.

2017-06-01

Evaluation of the mechanical state of a structure or its components in the process of operation based on detection of internal damages (damage detection) becomes especially important in such rapidly developing spheres of production as machine building, aerospace industry, etc. One of the most important features of these industries is the application of new types of materials among which polymer based composite materials occupy a significant position. Hence, they must have sufficient operational rigidity and strength. However, defects of various kinds may arise during the manufacture. Delamination is the most common defect in structures made from composite materials and represents a phenomenon that involves the complex fracture of layers and interlayer compounds. Among the reasons of delamination occurrence are: disposition of anti-adhesive lubricants, films; insufficient content of binder, high content of volatile elements; violation of the molding regime; poor quality of anti-adhesive coating on the surface of the tooling. One of the effective methods for analyzing the influence of defects is numerical simulation. With the help of numerical methods, it is possible to track the evolution of various parameters when the defect size and quantity change. In the paper, a multilayered plate of an equally resistant carbon fiber reinforced plastic was considered, with a thickness of each layer equal to 0.2 mm. Various static loading cases are studied: uniaxial tension, three and four-point bending. For each type of loading, a numerical calculation of the stress-strain state was performed for healthy and delaminated plates, with different number and size of the defects. Contact interaction between adjacent surfaces in the zone of delamination was taken into account.

Expansion of a compressible gas bubble in Stokes flow

NASA Astrophysics Data System (ADS)

Pozrikidis, C.

2001-09-01

The flow-induced deformation of an inviscid bubble occupied by a compressible gas and suspended in an ambient viscous liquid is considered at low Reynolds numbers with particular reference to the pressure developing inside the bubble. Ambient fluid motion alters the bubble pressure with respect to that established in the quiescent state, and requires the bubble to expand or contract according to an assumed equation of state. When changes in the bubble volume are prohibited by a global constraint on the total volume of the flow, the ambient pressure is modified while the bubble pressure remains constant during the deformation. A numerical method is developed for evaluating the pressure inside a two-dimensional bubble in an ambient Stokes flow on the basis of the normal component of the interfacial force balance involving the capillary pressure, the normal viscous stress, and the pressure at the free surface on the side of the liquid; the last is computed by evaluating a strongly singular integral. Dynamical simulations of bubble deformation are performed using the boundary integral method properly implemented to remove the multiplicity of solutions due to the a priori unknown rate of expansion, and three particular problems are discussed in detail: the shrinkage of a bubble at a specified rate, the deformation of a bubble subject to simple shear flow, and the deformation of a bubble subject to a purely elongational flow. In the case of shrinkage, it is found that the surface tension plays a critical role in determining the behaviour of the bubble pressure near the critical time when the bubble disappears. In the case of shear or elongational flow, it is found that the bubble contracts during an initial period of deformation from the circular shape, and then it expands to obtain a stationary shape whose area is higher than that assumed in the quiescent state. Expansion may destabilize the bubble by raising the capillary number above the critical threshold under which stationary shapes can be found.

Energy-level alignment in organic dye-sensitized TiO2 from GW calculations.

PubMed

Umari, P; Giacomazzi, L; De Angelis, F; Pastore, M; Baroni, Stefano

2013-07-07

The electronic energy levels of some representative isolated and oxide-supported organic dyes, relevant for photovoltaic applications, are investigated using many-body perturbation theory within the GW approximation. We consider a set of all-organic dyes (denominated L0, L2, L3, and L4) featuring the same donor and anchor groups and differing for the linker moieties. We first calculate the energy levels of the isolated molecules, thus allowing us to address the effects of the different linker groups, and resulting in good agreement with photo-electron spectroscopic and electrochemical data. We then consider the L0 dye adsorbed on the (101) surface of anatase-TiO2. We find a density of occupied states in agreement with experimental photo-electron data. The HOMO-LUMO energy gap of the L0 dye is found to be reduced by ~1 eV upon adsorption. Our results validate the reliability of GW calculations for photovoltaic applications and point to their potential as a powerful tool for the screening and rational design of new components of electrochemical solar cells.

Subsystem functional and the missing ingredient of confinement physics in density functionals.

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

Armiento, Rickard Roberto; Mattsson, Ann Elisabet; Hao, Feng

2010-08-01

The subsystem functional scheme is a promising approach recently proposed for constructing exchange-correlation density functionals. In this scheme, the physics in each part of real materials is described by mapping to a characteristic model system. The 'confinement physics,' an essential physical ingredient that has been left out in present functionals, is studied by employing the harmonic-oscillator (HO) gas model. By performing the potential {yields} density and the density {yields} exchange energy per particle mappings based on two model systems characterizing the physics in the interior (uniform electron-gas model) and surface regions (Airy gas model) of materials for the HO gases,more » we show that the confinement physics emerges when only the lowest subband of the HO gas is occupied by electrons. We examine the approximations of the exchange energy by several state-of-the-art functionals for the HO gas, and none of them produces adequate accuracy in the confinement dominated cases. A generic functional that incorporates the description of the confinement physics is needed.« less

Probing quasi-one-dimensional band structures by plasmon spectroscopy

NASA Astrophysics Data System (ADS)

Lichtenstein, T.; Mamiyev, Z.; Braun, C.; Sanna, S.; Schmidt, W. G.; Tegenkamp, C.; Pfnür, H.

2018-04-01

The plasmon dispersion is inherently related to the continuum of electron-hole pair excitations. Therefore, the comparison of this continuum, as derived from band structure calculations, with experimental data of plasmon dispersion, can yield direct information about the form of the occupied as well as the unoccupied band structure in the vicinity of the Fermi level. The relevance of this statement is illustrated by a detailed analysis of plasmon dispersions in quasi-one-dimensional systems combining experimental electron energy loss spectroscopy with quantitative density-functional theory (DFT) calculations. Si(557)-Au and Si(335)-Au with single atomic chains per terrace are compared with the Si(775)-Au system, which has a double Au chain on each terrace. We demonstrate that both hybridization between Si surface states and the Au chains as well as electronic correlations lead to increasing deviations from the nearly free electron picture that is suggested by a too simple interpretation of data of angular resolved photoemission (ARPES) of these systems, particularly for the double chain system. These deviations are consistently predicted by the DFT calculations. Thus also dimensional crossover can be explained.

Identification of lunar rock types and search for polar ice by gamma ray spectroscopy

NASA Astrophysics Data System (ADS)

Metzger, A. E.; Drake, D. M.

1990-01-01

This paper examines the possibility of mapping the surface composition of the moon from an orbiting spin-stabilized spacecraft, using gamma ray spectroscopy and a cooled germanium solid-state device as a detector. A design for accommodating the germanium detector gamma ray spectrometer was devised, and the detection sensitivity was applied to typical lunar-rock compositions. For sets comprising nine highland and 16 mare types, the most useful elements were found to be Mg, Al, K, Ti, Fe, U, and Th. An analysis of the expected instrument response to the gamma ray and neutron fluxes of water ice indicated that a neutron mode added to the spectrometer will be more sensitive than the gamma ray mode to the possible presence of polar ice. It was calculated that, with a pair of selected neutron absorbers and a model which provides that 2.5 percent of the area above 75-deg latitude is occupied by trapping sites, the instrument will provide a 1-yr mission detection limit of 0.056 percent H2O by weight for each polar region.

First principles study of edge carboxylated graphene quantum dots

NASA Astrophysics Data System (ADS)

Abdelsalam, Hazem; Elhaes, Hanan; Ibrahim, Medhat A.

2018-05-01

The structure stability and electronic properties of edge carboxylated hexagonal and triangular graphene quantum dots are investigated using density functional theory. The calculated binding energies show that the hexagonal clusters with armchair edges have the highest stability among all the quantum dots. The binding energy of carboxylated graphene quantum dots increases by increasing the number of carboxyl groups. Our study shows that the total dipole moment significantly increases by adding COOH with the highest value observed in triangular clusters. The edge states in triangular graphene quantum dots with zigzag edges produce completely different energy spectrum from other dots: (a) the energy gap in triangular zigzag is very small as compared to other clusters and (b) the highest occupied molecular orbital is localized at the edges which is in contrast to other clusters where it is distributed over the cluster surface. The enhanced reactivity and the controllable energy gap by shape and edge termination make graphene quantum dots ideal for various nanodevice applications such as sensors. The infrared spectra are presented to confirm the stability of the quantum dots.

Blackbrush (Coleogyne ramosissima Torr.): State of our knowledge and future challenges [Chapter 10

Treesearch

Rosemary L. Pendleton; Burton K. Pendleton; Susan E. Meyer; Bryce Richardson; Todd Esque; Stanley G. Kitchen

2015-01-01

Blackbrush (Coleogyne ramosissima Torr.) is a regionally dominant shrub species found in the transition zone between North American warm and cold deserts where it occupies millions of hectares on National Park Service, Bureau of Land Management, and National Forest lands. Blackbrush habitat is under severe threat of loss from the combined effects of exotic annual...

An Old-Growth Definition for Southwestern Subtropical Upland Forests

Treesearch

David D. Diamond

1998-01-01

Mainly evergreen, broad-leaved forests in the Southwestern United States are restricted to the Lower Rio Grande Valley of Texas. The soils and long growing season make this region valuable cropland, and, thus, almost all of the area once occupied by this forest type has been converted to row crops. Remaining old-growth forests are usually dominated by some combination...

26 CFR 1.897-2 - United States real property holding corporations.

Code of Federal Regulations, 2013 CFR

2013-04-01

... value of $500,000. DC's only real property interest was a factory that it had occupied for over 50 years, which had a book value of $200,000. The factory was located in a deteriorated downtown area, and DC had... time of DC's December 31, 1989 determination date, the downtown area in which DC's factory was located...

26 CFR 1.897-2 - United States real property holding corporations.

Code of Federal Regulations, 2012 CFR

2012-04-01

... value of $500,000. DC's only real property interest was a factory that it had occupied for over 50 years, which had a book value of $200,000. The factory was located in a deteriorated downtown area, and DC had... time of DC's December 31, 1989 determination date, the downtown area in which DC's factory was located...

26 CFR 1.897-2 - United States real property holding corporations.

Code of Federal Regulations, 2011 CFR

2011-04-01

... value of $500,000. DC's only real property interest was a factory that it had occupied for over 50 years, which had a book value of $200,000. The factory was located in a deteriorated downtown area, and DC had... time of DC's December 31, 1989 determination date, the downtown area in which DC's factory was located...