Deterministic joint remote preparation of an equatorial hybrid state via high-dimensional Einstein-Podolsky-Rosen pairs: active versus passive receiver

NASA Astrophysics Data System (ADS)

Bich, Cao Thi; Dat, Le Thanh; Van Hop, Nguyen; An, Nguyen Ba

2018-04-01

Entanglement plays a vital and in many cases non-replaceable role in the quantum network communication. Here, we propose two new protocols to jointly and remotely prepare a special so-called bipartite equatorial state which is hybrid in the sense that it entangles two Hilbert spaces with arbitrary different dimensions D and N (i.e., a type of entanglement between a quDit and a quNit). The quantum channels required to do that are however not necessarily hybrid. In fact, we utilize four high-dimensional Einstein-Podolsky-Rosen pairs, two of which are quDit-quDit entanglements, while the other two are quNit-quNit ones. In the first protocol the receiver has to be involved actively in the process of remote state preparation, while in the second protocol the receiver is passive as he/she needs to participate only in the final step for reconstructing the target hybrid state. Each protocol meets a specific circumstance that may be encountered in practice and both can be performed with unit success probability. Moreover, the concerned equatorial hybrid entangled state can also be jointly prepared for two receivers at two separated locations by slightly modifying the initial particles' distribution, thereby establishing between them an entangled channel ready for a later use.

Experimental evidence for the correlation between the weak inversion hump and near midgap states in dielectric/InGaAs interfaces

NASA Astrophysics Data System (ADS)

Krylov, Igor; Kornblum, Lior; Gavrilov, Arkady; Ritter, Dan; Eizenberg, Moshe

2012-04-01

Temperature dependent capacitance-voltage (C-V) and conductance-voltage (G-V) measurements were performed to obtain activation energies (EA) for weak inversion C-V humps and parallel conductance peaks in Al2O3/InGaAs and Si3N4/InGaAs gate stacks. Values of 0.48 eV (slightly more than half of the band gap of the studied In0.53Ga0.47As) were obtained for EA of both phenomena for both gate dielectrics studied. This indicates an universal InGaAs behavior and shows that both phenomena are due to generation-recombination of minority carriers through near midgap located interface states. The C-V hump correlates with the interface states density (Dit) and can be used as a characterization tool for dielectric/InGaAs systems.

N-MOSFETs Formed on Solid Phase Epitaxially Grown GeSn Film with Passivation by Oxygen Plasma Featuring High Mobility.

PubMed

Fang, Yung-Chin; Chen, Kuen-Yi; Hsieh, Ching-Heng; Su, Chang-Chia; Wu, Yung-Hsien

2015-12-09

Solid phase epitaxially grown GeSn was employed as the platform to assess the eligibility of direct O2 plasma treatment on GeSn surface for passivation of GeSn N-MOSFETs. It has been confirmed that O2 plasma treatment forms a GeSnO(x) film on the surface and the GeSnO(x) topped by in situ Al2O3 constitutes the gate stack of GeSn MOS devices. The capability of the surface passivation was evidenced by the low interface trap density (D(it)) of 1.62 × 10(11) cm(-2) eV(-1), which is primarily due to the formation of Ge-O and Sn-O bonds at the surface by high density/reactivity oxygen radicals that effectively suppress dangling bonds and decrease gap states. The good D(it) not only makes tiny frequency dispersion in the characterization of GeSn MOS capacitors, but results in GeSn N-MOSFETs with outstanding peak electron mobility as high as 518 cm(2)/(V s) which outperforms other devices reported in the literature due to reduced undesirable carrier scattering. In addition, the GeSn N-MOSFETs also exhibit promising characteristics in terms of acceptable subthreshold swing of 156 mV/dec and relatively large I(ON)/I(OFF) ratio more than 4 orders. Moreover, the robust reliability in terms small V(t) variation against high field stress attests the feasibility of using the O2 plasma-treated passivation to advanced GeSn technology.

Performance of some nucleation theories with a nonsharp droplet-vapor interface.

PubMed

Napari, Ismo; Julin, Jan; Vehkamäki, Hanna

2010-10-21

Nucleation theories involving the concept of nonsharp boundary between the droplet and vapor are compared to recent molecular dynamics (MD) simulation data of Lennard-Jones vapors at temperatures above the triple point. The theories are diffuse interface theory (DIT), extended modified liquid drop-dynamical nucleation theory (EMLD-DNT), square gradient theory (SGT), and density functional theory (DFT). Particular attention is paid to thermodynamic consistency in the comparison: the applied theories either use or, with a proper parameter adjustment, result in the same values of equilibrium vapor pressure, bulk liquid density, and surface tension as the MD simulations. Realistic pressure-density correlations are also used. The best agreement between the simulated nucleation rates and calculations is obtained from DFT, SGT, and EMLD-DNT, all of which, in the studied temperature range, show deviations of less than one order of magnitude in the nucleation rate. DIT underestimates the nucleation rate by up to two orders of magnitude. DFT and SGT give the best estimate of the molecular content of the critical nuclei. Overall, at the vapor conditions of this study, all the investigated theories perform better than classical nucleation theory in predicting nucleation rates.

Diet-induced thermogenesis and substrate oxidation are not different between lean and obese women after two different isocaloric meals, one rich in protein and one rich in fat.

PubMed

Tentolouris, Nicholas; Pavlatos, Spyridon; Kokkinos, Alexander; Perrea, Despoina; Pagoni, Stamata; Katsilambros, Nicholas

2008-03-01

Reduction in diet-induced thermogenesis (DIT) may promote weight gain and maintenance. Data on differences in DIT and macronutrient oxidation between lean and obese subjects are conflicting. In this study, we sought for differences in DIT and macronutrient oxidation between lean and obese women after consumption of 2 different isocaloric meals, one rich in protein and one rich in fat. Fifteen lean and 15 obese women were studied on 2 occasions, 1 week apart. In one visit, they consumed a protein-rich meal; in the other visit, a fat-rich meal. The 2 meals were isocaloric ( approximately 2026 kJ each), of equal volume, and given in random order. Resting energy expenditure and macronutrient oxidation rates were measured and calculated in the fasting state and every 1 hour for 3 hours after meal consumption. Diet-induced thermogenesis was not significantly different between lean and obese subjects after consumption of either the protein-rich (P = .59) or the fat-rich meal (P = .68). Diet-induced thermogenesis was significantly higher (by almost 3-fold) after consumption of the protein-rich meal in comparison with the fat-rich meal in both study groups. In addition, no significant differences in macronutrient oxidation rates were found between lean and obese women after the test meals. The results indicate that DIT is higher after protein intake than after fat intake in both lean and obese participants; however, DIT and macronutrient oxidation rate are not different between lean and obese subjects after consumption of either a protein-rich or a fat-rich meal. Over the long term, a low DIT after regular or frequent fat intake may contribute to the development and maintenance of obesity.

Energetic distributions of interface states Dit(phi sub s) of MOS transistors in extension of Kuhn's quasistatic C(V)-method

NASA Astrophysics Data System (ADS)

Krautschneider, W.; Wagemann, H. G.

1983-10-01

Kuhn's quasi-static C(V)-method has been extended to MOS transistors by considering the capacitances of the source and drain p-n junctions additionally to the MOS varactor circuit model. The width of the space charge layers w(phi sub s) is calculated as a function of the surface potential phi sub s and applied to the MOS capacitance as a function of the gate voltage. Capacitance behavior for different channel length is presented as a model and compared to measurement results and evaluations of energetic distributions of interface states Dit(phi sub s) for MOS transistor and MOS varactor on the same chip.

Does the Defining Issues Test measure ethical judgment ability or political position?

PubMed

Bailey, Charles D

2011-01-01

This article addresses the construct validity of the Defining Issues Test of ethical judgment (DIT/DIT-2). Alleging a political bias in the test, Emler and colleagues (1983, 1998, 1999, 2007), show that conservatives score higher when asked to fake as liberals, implying that they understand the reasoning associated with "higher" moral development but avoid items they see as liberally biased. DIT proponents challenge the internal validity of faking studies, advocating an explained-variance validation. This study takes a new approach: Adult participants complete the DIT-2, then evaluate the raw responses of others to discern political orientation and ethical development. Results show that individuals scoring higher on the DIT-2 rank others' ethical judgment in a way consistent with DIT-2-based rankings. Accuracy at assessing political orientation, however, is low. Results support the DIT-2's validity as a measure of ethical development, not an expression of political position.

Neutral beam and ICP etching of HKMG MOS capacitors: Observations and a plasma-induced damage model

NASA Astrophysics Data System (ADS)

Kuo, Tai-Chen; Shih, Tzu-Lang; Su, Yin-Hsien; Lee, Wen-Hsi; Current, Michael Ira; Samukawa, Seiji

2018-04-01

In this study, TiN/HfO2/Si metal-oxide-semiconductor (MOS) capacitors were etched by a neutral beam etching technique under two contrasting conditions. The configurations of neutral beam etching technique were specially designed to demonstrate a "damage-free" condition or to approximate "reactive-ion-etching-like" conditions to verify the effect of plasma-induced damage on electrical characteristics of MOS capacitors. The results show that by neutral beam etching (NBE), the interface state density (Dit) and the oxide trapped charge (Qot) were lower than routine plasma etching. Furthermore, the decrease in capacitor size does not lead to an increase in leakage current density, indicating less plasma induced side-wall damage. We present a plasma-induced gate stack damage model which we demonstrate by using these two different etching configurations. These results show that NBE is effective in preventing plasma-induced damage at the high-k/Si interface and on the high-k oxide sidewall and thus improve the electrical performance of the gate structure.

The Energy Content and Composition of Meals Consumed after an Overnight Fast and Their Effects on Diet Induced Thermogenesis: A Systematic Review, Meta-Analyses and Meta-Regressions

PubMed Central

Quatela, Angelica; Callister, Robin; Patterson, Amanda; MacDonald-Wicks, Lesley

2016-01-01

This systematic review investigated the effects of differing energy intakes, macronutrient compositions, and eating patterns of meals consumed after an overnight fast on Diet Induced Thermogenesis (DIT). The initial search identified 2482 records; 26 papers remained once duplicates were removed and inclusion criteria were applied. Studies (n = 27) in the analyses were randomized crossover designs comparing the effects of two or more eating events on DIT. Higher energy intake increased DIT; in a mixed model meta-regression, for every 100 kJ increase in energy intake, DIT increased by 1.1 kJ/h (p < 0.001). Meals with a high protein or carbohydrate content had a higher DIT than high fat, although this effect was not always significant. Meals with medium chain triglycerides had a significantly higher DIT than long chain triglycerides (meta-analysis, p = 0.002). Consuming the same meal as a single bolus eating event compared to multiple small meals or snacks was associated with a significantly higher DIT (meta-analysis, p = 0.02). Unclear or inconsistent findings were found by comparing the consumption of meals quickly or slowly, and palatability was not significantly associated with DIT. These findings indicate that the magnitude of the increase in DIT is influenced by the energy intake, macronutrient composition, and eating pattern of the meal. PMID:27792142

MRI CRITERIA FOR THE DIAGNOSIS OF MULTIPLE SCLEROSIS: MAGNIMS CONSENSUS GUIDELINES

PubMed Central

Filippi, M.; Rocca, M.A.; Ciccarelli, O.; De Stefano, N.; Evangelou, N.; Kappos, L.; Rovira, A.; Sastre-Garriga, J.; Tintorè, M.; Frederiksen, J.L.; Gasperini, C.; Palace, J.; Reich, D.S.; Banwell, B.; Montalban, X.; Barkhof, F.

2016-01-01

Summary In patients presenting with a clinically isolated syndrome (CIS), magnetic resonance imaging (MRI) can support and substitute clinical information for multiple sclerosis (MS) diagnosis demonstrating disease dissemination in space (DIS) and time (DIT) and helping to rule out other conditions that can mimic MS. From their inclusion in the diagnostic work-up for MS in 2001, several modifications of MRI diagnostic criteria have been proposed, in the attempt to simplify lesion-count models for demonstrating DIS, change the timing of MRI scanning for demonstrating DIT, and increase the value of spinal cord imaging. Since the last update of these criteria, new data regarding the application of MRI for demonstrating DIS and DIT have become available and improvement in MRI technology has occurred. State-of-the-art MRI findings in these patients were discussed in a MAGNIMS workshop, the goal of which was to provide an evidence-based and expert-opinion consensus on diagnostic MRI criteria modifications. PMID:26822746

Data Integration Tool: Permafrost Data Debugging

NASA Astrophysics Data System (ADS)

Wilcox, H.; Schaefer, K. M.; Jafarov, E. E.; Pulsifer, P. L.; Strawhacker, C.; Yarmey, L.; Basak, R.

2017-12-01

We developed a Data Integration Tool (DIT) to significantly speed up the time of manual processing needed to translate inconsistent, scattered historical permafrost data into files ready to ingest directly into the Global Terrestrial Network-Permafrost (GTN-P). The United States National Science Foundation funded this project through the National Snow and Ice Data Center (NSIDC) with the GTN-P to improve permafrost data access and discovery. We leverage this data to support science research and policy decisions. DIT is a workflow manager that divides data preparation and analysis into a series of steps or operations called widgets (https://github.com/PermaData/DIT). Each widget does a specific operation, such as read, multiply by a constant, sort, plot, and write data. DIT allows the user to select and order the widgets as desired to meet their specific needs, incrementally interact with and evolve the widget workflows, and save those workflows for reproducibility. Taking ideas from visual programming found in the art and design domain, debugging and iterative design principles from software engineering, and the scientific data processing and analysis power of Fortran and Python it was written for interactive, iterative data manipulation, quality control, processing, and analysis of inconsistent data in an easily installable application. DIT was used to completely translate one dataset (133 sites) that was successfully added to GTN-P, nearly translate three datasets (270 sites), and is scheduled to translate 10 more datasets ( 1000 sites) from the legacy inactive site data holdings of the Frozen Ground Data Center (FGDC). Iterative development has provided the permafrost and wider scientific community with an extendable tool designed specifically for the iterative process of translating unruly data.

Time to brain imaging in acute stroke is improving: secondary analysis of the INSTINCT trial.

PubMed

Sauser, Kori; Burke, James F; Levine, Deborah A; Scott, Phillip A; Meurer, William J

2014-01-01

Patients with acute ischemic stroke benefit from rapid evaluation and treatment, and timely brain imaging is a necessary component. We determined the effect of a targeted behavioral intervention on door-to-imaging time (DIT) among patients with ischemic stroke treated with tissue-type plasminogen activator. Second, we examined the variation in DIT accounted for by patient-level and hospital-level factors. The Increasing Stroke Treatment through Interventional behavioral Change Tactics (INSTINCT) trial was a cluster-randomized, controlled trial involving 24 Michigan hospitals. The intervention aimed to increase tissue-type plasminogen activator utilization. Detailed chart abstractions collected data for 557 patients with ischemic stroke. We used a series of hierarchical linear mixed-effects models to evaluate the effect of the intervention on DIT (difference-in-differences analysis) and used patient-level and hospital-level explanatory variables to decompose variation in DIT. DIT improved over time, without a difference between intervention and control hospitals (intervention: 23.7-19.3 minutes, control: 28.9-19.2 minutes; P=0.56). Adjusted DIT was faster in patients who arrived by ambulance (7.2 minutes; 95% confidence interval, 4.1-10.2), had severe strokes (1.0 minute per +5-point National Institutes of Health Stroke Scale; 95% confidence interval, 0.1-2.0), and presented in the postintervention period (4.9 minutes; 95% confidence interval, 2.3-7.4). After accounting for these factors, 13.8% of variation in DIT was attributable to hospital. Neither hospital stroke volume nor stroke center status was associated with DIT. Performance on DIT improved similarly in intervention and control hospitals, suggesting that nonintervention factors explain the improvement. Hospital-level factors explain a modest proportion of variation in DIT, but further research is needed to identify the hospital-level factors responsible.

Time to Brain Imaging in Acute Stroke is Improving: Secondary analysis of the INSTINCT Trial

PubMed Central

Sauser, Kori; Burke, James F.; Levine, Deborah A.; Scott, Phillip A.; Meurer, William J.

2014-01-01

Background and Purpose Acute ischemic stroke (IS) patients benefit from rapid evaluation and treatment, and timely brain imaging is a necessary component. We determined the effect of a targeted behavioral intervention on door-to-imaging-time (DIT) among IS patients treated with tissue plasminogen activator (tPA). Secondarily, we examined the variation in DIT accounted for by patient- and hospital-level factors. Methods The INSTINCT trial was a cluster-randomized, controlled trial involving 24 Michigan hospitals. The intervention aimed to increase tPA utilization. Detailed chart abstractions collected data for 557 IS patients. We used a series of hierarchical linear mixed-effects models to evaluate the effect of the intervention on DIT (difference-in-differences analysis) and used patient and hospital-level explanatory variables to decompose variation in DIT. Results DIT improved over time, without a difference between intervention and control hospitals (intervention: 23.7 to 19.3 minutes, control: 28.9 to 19.2 minutes, p=0.56). Adjusted DIT was faster in patients who arrived by ambulance (7.2 minutes; 95%CI 4.1–10.2), had severe strokes (1.0 minute per +5 point NIHSS; 95%CI 0.1–2.0), and presented in the post-intervention period (4.9 minutes; 95%CI 2.3–7.4). After accounting for these factors, 13.8% of variation in DIT was attributable to hospital. Neither hospital stroke volume nor stroke center status was associated with DIT. Conclusions Performance on DIT improved similarly in intervention and control hospitals suggesting that non-intervention factors explain the improvement. Hospital-level factors explain a modest proportion of variation in DIT but further research is needed to identify the hospital-level factors responsible. PMID:24232449

Thermal Improvement and Stability of Si3N4/GeNx/p- and n-Ge Structures Prepared by Electron-Cyclotron-Resonance Plasma Nitridation and Sputtering at Room Temperature

NASA Astrophysics Data System (ADS)

Fukuda, Yukio; Okamoto, Hiroshi; Iwasaki, Takuro; Izumi, Kohei; Otani, Yohei; Ishizaki, Hiroki; Ono, Toshiro

2012-09-01

This paper reports on the thermal improvement of Si3N4/GeNx/Ge structures. After the Si3N4 (5 nm)/GeNx (2 nm) stacks were prepared on Ge substrates by electron-cyclotron-resonance plasma nitridation and sputtering at room temperature, they were thermally annealed in atmospheric N2 + 10% H2 ambient at temperatures from 400 to 600 °C. It was demonstrated that the electronic properties of the GeNx/Ge interfaces were thermally improved at temperatures of up to 500 °C with a minimum interface trap density (Dit) of ˜1×1011 cm-2 eV-1 near the Ge midgap, whereas the interface properties were slightly degraded after annealing at 600 °C with a minimum Dit value of ˜4×1011 cm-2 eV-1.

The electrical and interfacial properties of metal-high-k oxide-semiconductor field effect transistors with CeO2/HfO2 laminated gate dielectrics

NASA Astrophysics Data System (ADS)

Chang, Ingram Yin-ku; Chen, Chun-Heng; Chiu, Fu-Chien; Lee, Joseph Ya-min

2007-11-01

Metal-oxide-semiconductor field-effect transistors with CeO2/HfO2 laminated gate dielectrics were fabricated. The transistors have a subthreshold slope of 74.9mV/decade. The interfacial properties were measured using gated diodes. The surface state density Dit was 9.78×1011cm-2eV-1. The surface-recombination velocity (s0) and the minority carrier lifetime in the field-induced depletion region (τ0,FIJ) measured from the gated diode were about 6.11×103cm /s and 1.8×10-8s, respectively. The effective capture cross section of surface state (σs) extracted using the subthreshold-swing measurement and the gated diode was about 7.69×10-15cm2. The effective electron mobility of CeO2/HfO2 laminated gated transistors was determined to be 212cm2/Vs.

The Moral Reasoning of Sports Management Students in the United States and Italy

ERIC Educational Resources Information Center

Forte, Almerinda

2013-01-01

The researcher analyzed the moral reasoning ability of Sports Management students in the United States and Italy. The researcher statistically analyzed data collected through a survey questionnaire designed to measure moral reasoning. The Defining Issues Test (DIT) developed by James Rest using Kohlberg's six stages of moral judgment was used in…

Comparison of interfaces for (Ba,Sr)TiO3 films deposited on Si and SiO2/Si substrates

NASA Astrophysics Data System (ADS)

Suvorova, N. A.; Lopez, C. M.; Irene, E. A.; Suvorova, A. A.; Saunders, M.

2004-03-01

(Ba,Sr)TiO3(BST) thin films were deposited by ion sputtering on both bare and oxidized Si. Spectroscopic ellipsometry results have shown that a SiO2 underlayer of nearly the same thickness (2.6 nm in average) is found at the Si interface for BST sputter depositions onto nominally bare Si, 1 nm SiO2 on Si or 3.5 nm SiO2 on Si. This result was confirmed by high-resolution electron microscopy analysis of the films, and it is believed to be due to simultaneous subcutaneous oxidation of Si and reaction of the BST layer with SiO2. Using the conductance method, capacitance-voltage measurements show a decrease in the interface trap density Dit of an order of magnitude for oxidized Si substrates with a thicker SiO2 underlayer. Further reduction of Dit was achieved for the capacitors grown on oxidized Si and annealed in forming gas after metallization.

Origanum dictamnus oil vapour suppresses the development of grey mould in eggplant fruit in vitro.

PubMed

Stavropoulou, Andriana; Loulakakis, Kostas; Magan, Naresh; Tzortzakis, Nikos

2014-01-01

Grey mould rot (Botrytis cinerea) development in vitro or in eggplant (Solanum melongena L.) fruit was evaluated after treatment with dittany (Origanum dictamnus L.) oil (DIT) and storage at 12°C and 95% relative humidity during or following exposure to the volatiles. DIT volatiles used in different concentration (0-50-100-250 μL/L) and times of exposure (up to 120 h) examined the effects on pathogen development as well as fruit quality parameters. In vitro, fungal colony growth was inhibited with the application of DIT oil (during or after exposure) and/or time of application. Continuous exposure to oils reduced conidial germination and production with fungistatic effects observed in 250 μL/L. In vivo, fungal lesion growth and conidial production reduced in DIT-treated fruits. Interesting, in fruits preexposed to volatiles before fungal inoculation, DIT application induced fruit resistance against the pathogen, by reduced lesion growth and conidial production. Conidial viability reduced in >100 μL/L DIT oil. Fruits exposed to essential oil did not affect fruit quality related attributes in general, while skin lightness (L value) increased in 50 and 100 μL/L DIT oil. The results of the current study indicated that dittany volatiles may be considered as an alternative food preservative, eliminating disease spread in the storage/transit atmospheres.

Origanum dictamnus Oil Vapour Suppresses the Development of Grey Mould in Eggplant Fruit In Vitro

PubMed Central

Loulakakis, Kostas; Magan, Naresh; Tzortzakis, Nikos

2014-01-01

Grey mould rot (Botrytis cinerea) development in vitro or in eggplant (Solanum melongena L.) fruit was evaluated after treatment with dittany (Origanum dictamnus L.) oil (DIT) and storage at 12°C and 95% relative humidity during or following exposure to the volatiles. DIT volatiles used in different concentration (0-50-100-250 μL/L) and times of exposure (up to 120 h) examined the effects on pathogen development as well as fruit quality parameters. In vitro, fungal colony growth was inhibited with the application of DIT oil (during or after exposure) and/or time of application. Continuous exposure to oils reduced conidial germination and production with fungistatic effects observed in 250 μL/L. In vivo, fungal lesion growth and conidial production reduced in DIT-treated fruits. Interesting, in fruits preexposed to volatiles before fungal inoculation, DIT application induced fruit resistance against the pathogen, by reduced lesion growth and conidial production. Conidial viability reduced in >100 μL/L DIT oil. Fruits exposed to essential oil did not affect fruit quality related attributes in general, while skin lightness (L value) increased in 50 and 100 μL/L DIT oil. The results of the current study indicated that dittany volatiles may be considered as an alternative food preservative, eliminating disease spread in the storage/transit atmospheres. PMID:25254209

Electrical characteristics and density of states of thin-film transistors based on sol-gel derived ZnO channel layers with different annealing temperatures

NASA Astrophysics Data System (ADS)

Wang, S.; Mirkhani, V.; Yapabandara, K.; Cheng, R.; Hernandez, G.; Khanal, M. P.; Sultan, M. S.; Uprety, S.; Shen, L.; Zou, S.; Xu, P.; Ellis, C. D.; Sellers, J. A.; Hamilton, M. C.; Niu, G.; Sk, M. H.; Park, M.

2018-04-01

We report on the fabrication and electrical characterization of bottom gate thin-film transistors (TFTs) based on a sol-gel derived ZnO channel layer. The effect of annealing of ZnO active channel layers on the electrical characteristics of the ZnO TFTs was systematically investigated. Photoluminescence (PL) spectra indicate that the crystal quality of the ZnO improves with increasing annealing temperature. Both the device turn-on voltage (Von) and threshold voltage (VT) shift to a positive voltage with increasing annealing temperature. As the annealing temperature is increased, both the subthreshold slope and the interfacial defect density (Dit) decrease. The field effect mobility (μFET) increases with annealing temperature, peaking at 800 °C and decreases upon further temperature increase. An improvement in transfer and output characteristics was observed with increasing annealing temperature. However, when the annealing temperature reaches 900 °C, the TFTs demonstrate a large degradation in both transfer and output characteristics, which is possibly produced by non-continuous coverage of the film. By using the temperature-dependent field effect measurements, the localized sub-gap density of states (DOSs) for ZnO TFTs with different annealing temperatures were determined. The DOSs for the subthreshold regime decrease with increasing annealing temperature from 600 °C to 800 °C and no substantial change was observed with further temperature increase to 900 °C.

Crystal Structure of Bacteriophage SPP1 Distal Tail Protein (gp19.1)

PubMed Central

Veesler, David; Robin, Gautier; Lichière, Julie; Auzat, Isabelle; Tavares, Paulo; Bron, Patrick; Campanacci, Valérie; Cambillau, Christian

2010-01-01

Siphophage SPP1 infects the Gram-positive bacterium Bacillus subtilis using its long non-contractile tail and tail-tip. Electron microscopy (EM) previously allowed a low resolution assignment of most orf products belonging to these regions. We report here the structure of the SPP1 distal tail protein (Dit, gp19.1). The combination of x-ray crystallography, EM, and light scattering established that Dit is a back-to-back dimer of hexamers. However, Dit fitting in the virion EM maps was only possible with a hexamer located between the tail-tube and the tail-tip. Structure comparison revealed high similarity between Dit and a central component of lactophage baseplates. Sequence similarity search expanded its relatedness to several phage proteins, suggesting that Dit is a docking platform for the tail adsorption apparatus in Siphoviridae infecting Gram-positive bacteria and that its architecture is a paradigm for these hub proteins. Dit structural similarity extends also to non-contractile and contractile phage tail proteins (gpVN and XkdM) as well as to components of the bacterial type 6 secretion system, supporting an evolutionary connection between all these devices. PMID:20843802

Combined Arterial Infusion and Stent Implantation Compared with Metal Stent Alone in Treatment of Malignant Gastroduodenal Obstruction

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

Wang Zhongmin, E-mail: wzm0722@hotmail.co; Chen Kemin, E-mail: ckm0722@hotmail.co; Gong Ju

Many patients with malignant gastroduodenal obstruction have an unresectable primary lesion and distant metastases, which may prompt palliative management to allow the patient to eat and to improve the quality of life. Intraluminal metallic stent implantation (MSI) under fluoroscopic guidance has been reported to be an effective option for symptomatic relief in these patients, with a good safety record. An alternative, dual interventional therapy (DIT), has been used during the last decade, in which prosthesis insertion is followed by intra-arterial chemotherapy via the tumor-feeding arteries. The aim of this study was to compare success rates, complication rates, and survival timemore » between MSI and DIT in patients who presented with gastroduodenal obstruction from advanced upper gastrointestinal tract cancer. All consecutive patients with malignant gastroduodenal obstruction seen at our center between October 2002 and August 2007 were retrospectively studied. Patients were treated palliatively by either MSI or DIT by the patient's or the next of kin's decision. Outcomes included technical and clinical success, complication rates, and survival. Of the 164 patients with malignant gastric and duodenal outlet obstructions, 80 (49%) underwent stent insertion as the primary therapy, while the remaining 84 (51%) received DIT. Clinical characteristics were similar between the two groups. In the MSI cohort initial stent implantation was successful in 73 patients (91%), two stents were used in 5 patients, and delayed additional stent insertion for stent obstruction related to tumor overgrowth was required in 3 patients during follow-up. In the DIT cohort the technical success rate was 94%, 3 patients required two stents, and stent obstruction occurred in 2 patients after initial stent placement. Early postprocedural clinical success, indicated by average dysphagia score, improved significantly in both groups: MSI group, from 4.56 to 1.51 (P < 0.01); and DIT group, from 4.38 to 1.48 (p < 0.01). There were no short-term complications. Late complications including hematemesis (n = 3), migration (n = 12), and stent occlusion due to tumor overgrowth (n = 5) were evenly distributed between the groups. In the DIT group chemotherapy-induced neutropenia and transient renal dysfunction were detected in six patients, which improved after symptomatic management. Mean survival time after the procedure was 5.9 and 11.1 months for MSI and DIT, respectively (P < 0.001). In conclusion, both MSI and DIT offer effective palliation for malignant gastroduodenal obstruction, but DIT appears to offer superior survival over MSI alone. Ideally, a prospective randomized trial comparing these two techniques should be carried out to validate this result.« less

Replacement of digestible by resistant starch lowers diet-induced thermogenesis in healthy men.

PubMed

Heijnen, M L; Deurenberg, P; van Amelsvoort, J M; Beynen, A C

1995-03-01

The present study describes the effect of replacement of digestible starch by resistant starch (RS) on diet-induced thermogenesis (DIT), postprandial glucose and insulin responses, and colonic fermentation. Ten healthy males consumed three test meals, consisting of diluted, artificially-sweetened fruit syrup and either 50 g raw potato starch (550 g RS/kg), or 50 g pregelatinized potato starch (0 g RS/kg) or 30 g pregelatinized potato starch plus 20 g lactulose (670 g indigestible disaccharide/kg). The meals were served in the morning after an overnight fast. Each volunteer consumed each meal twice on six separate days in random order. Metabolic rate was measured by indirect calorimetry in the fasting state for 15 min and postprandially for 5 h. Shortly before and hourly up to 7 h after consumption of the test meal, end-expiratory breath samples were obtained for H2 and CH4 analysis. Shortly before the meal and 30, 60, 180, and 300 min postprandially, blood samples were taken for glucose and insulin analyses. Postprandial increases in glucose and insulin levels were proportional to the amount of digestible carbohydrate in the meal. Breath H2 and CH4 concentrations indicated that the pregelatinized starch was not fermented and that lactulose was fermented rapidly. Fermentation of the raw starch started only 6 to 7 h after consumption, resulting in a rise in breath H2 but not in CH4. The replacement of 27 g digestible starch by RS in a single meal lowered DIT by on average 90 kJ/5 h, as could also be calculated by assuming that RS does not contribute to DIT. The ingestion of lactulose resulted in a substantial rise in DIT which was most probably caused by its fermentation.

Data Integration Tool: From Permafrost Data Translation Research Tool to A Robust Research Application

NASA Astrophysics Data System (ADS)

Wilcox, H.; Schaefer, K. M.; Jafarov, E. E.; Strawhacker, C.; Pulsifer, P. L.; Thurmes, N.

2016-12-01

The United States National Science Foundation funded PermaData project led by the National Snow and Ice Data Center (NSIDC) with a team from the Global Terrestrial Network for Permafrost (GTN-P) aimed to improve permafrost data access and discovery. We developed a Data Integration Tool (DIT) to significantly speed up the time of manual processing needed to translate inconsistent, scattered historical permafrost data into files ready to ingest directly into the GTN-P. We leverage this data to support science research and policy decisions. DIT is a workflow manager that divides data preparation and analysis into a series of steps or operations called widgets. Each widget does a specific operation, such as read, multiply by a constant, sort, plot, and write data. DIT allows the user to select and order the widgets as desired to meet their specific needs. Originally it was written to capture a scientist's personal, iterative, data manipulation and quality control process of visually and programmatically iterating through inconsistent input data, examining it to find problems, adding operations to address the problems, and rerunning until the data could be translated into the GTN-P standard format. Iterative development of this tool led to a Fortran/Python hybrid then, with consideration of users, licensing, version control, packaging, and workflow, to a publically available, robust, usable application. Transitioning to Python allowed the use of open source frameworks for the workflow core and integration with a javascript graphical workflow interface. DIT is targeted to automatically handle 90% of the data processing for field scientists, modelers, and non-discipline scientists. It is available as an open source tool in GitHub packaged for a subset of Mac, Windows, and UNIX systems as a desktop application with a graphical workflow manager. DIT was used to completely translate one dataset (133 sites) that was successfully added to GTN-P, nearly translate three datasets (270 sites), and is scheduled to translate 10 more datasets ( 1000 sites) from the legacy inactive site data holdings of the Frozen Ground Data Center (FGDC). Iterative development has provided the permafrost and wider scientific community with an extendable tool designed specifically for the iterative process of translating unruly data.

Interval training attenuates the metabolic disturbances in type 1 diabetes rat model.

PubMed

Rocha, Ricelli Endrigo Ruppel; Coelho, Isabela; Pequito, Daniela Cristina T; Yamagushi, Adriana; Borghetti, Gina; Yamazaki, Ricardo Key; Brito, Gleisson Alisson Pereira de; Machado, Juliano; Kryczyk, Marcelo; Nunes, Everson Araújo; Venera, Graciela; Fernandes, Luiz Claudio

2013-11-01

This study investigated the effect of interval training on blood biochemistry and immune parameters in type 1 diabetic rats. Male Wistar rats were divided into four groups: sedentary (SE, n = 15), interval training (IT, n = 17), diabetic sedentary (DSE, n = 17), diabetic interval training (DIT, n = 17). Diabetes was induced by i.v. injection of streptozotocin (60 mg/kg). Swimming Interval Training consisted of 30-s exercise with 30-s rest, for 30 minutes, during 6 weeks, four times a week, with an overload of 15% of body mass. Plasma glucose, lactate, triacylglycerol and total cholesterol concentrations, phagocytic capacity, cationic vesicle content, and superoxide anion and hydrogen peroxide production by blood neutrophils and peritoneal macrophages were evaluated. Proliferation of mesenteric lymphocytes was also estimated. Interval training resulted in attenuation of the resting hyperglycemic state and decreased blood lipids in the DIT group. Diabetes increased the functionality of blood neutrophils and peritoneal macrophages in the DSE group. Interval training increased all functionality parameters of peritoneal macrophages in the IT group. Interval training also led to a twofold increase in the proliferation of mesenteric lymphocytes after 6 weeks of exercise in the DIT group. Low-volume high-intensity physical exercise attenuates hyperglycemia and dislipidemia induced by type 1 diabetes, and induces changes in the functionality of innate and acquired immunity.

Integrated generation of complex optical quantum states and their coherent control

NASA Astrophysics Data System (ADS)

Roztocki, Piotr; Kues, Michael; Reimer, Christian; Romero Cortés, Luis; Sciara, Stefania; Wetzel, Benjamin; Zhang, Yanbing; Cino, Alfonso; Chu, Sai T.; Little, Brent E.; Moss, David J.; Caspani, Lucia; Azaña, José; Morandotti, Roberto

2018-01-01

Complex optical quantum states based on entangled photons are essential for investigations of fundamental physics and are the heart of applications in quantum information science. Recently, integrated photonics has become a leading platform for the compact, cost-efficient, and stable generation and processing of optical quantum states. However, onchip sources are currently limited to basic two-dimensional (qubit) two-photon states, whereas scaling the state complexity requires access to states composed of several (<2) photons and/or exhibiting high photon dimensionality. Here we show that the use of integrated frequency combs (on-chip light sources with a broad spectrum of evenly-spaced frequency modes) based on high-Q nonlinear microring resonators can provide solutions for such scalable complex quantum state sources. In particular, by using spontaneous four-wave mixing within the resonators, we demonstrate the generation of bi- and multi-photon entangled qubit states over a broad comb of channels spanning the S, C, and L telecommunications bands, and control these states coherently to perform quantum interference measurements and state tomography. Furthermore, we demonstrate the on-chip generation of entangled high-dimensional (quDit) states, where the photons are created in a coherent superposition of multiple pure frequency modes. Specifically, we confirm the realization of a quantum system with at least one hundred dimensions. Moreover, using off-the-shelf telecommunications components, we introduce a platform for the coherent manipulation and control of frequencyentangled quDit states. Our results suggest that microcavity-based entangled photon state generation and the coherent control of states using accessible telecommunications infrastructure introduce a powerful and scalable platform for quantum information science.

Advances on Propulsion Technology for High-Speed Aircraft. Volume 1

DTIC Science & Technology

2007-03-01

sprayed Cu -3% Ag alloys , ITSC 2001 - Singapour - 6dit6e par C.C. Berndt - K.A. Khor et E.F. Lugscheider - ASM-TSS - Materials park - OH-USA, p.633... spraying of CuCrNb powder and a more advanced approach which combines the advantages of a high temperature, low density and porous carbon-fibre...physical vapour deposition (EB-PVD), vacuum plasma spraying (VPS) and solution plasma spraying (SPS) [38-41]. A segmented sub-scale model combustor with

Influence of quantizing magnetic field and Rashba effect on indium arsenide metal-oxide-semiconductor structure accumulation capacitance

NASA Astrophysics Data System (ADS)

Kovchavtsev, A. P.; Aksenov, M. S.; Tsarenko, A. V.; Nastovjak, A. E.; Pogosov, A. G.; Pokhabov, D. A.; Tereshchenko, O. E.; Valisheva, N. A.

2018-05-01

The accumulation capacitance oscillations behavior in the n-InAs metal-oxide-semiconductor structures with different densities of the built-in charge (Dbc) and the interface traps (Dit) at temperature 4.2 K in the magnetic field (B) 2-10 T, directed perpendicular to the semiconductor-dielectric interface, is studied. A decrease in the oscillation frequency and an increase in the capacitance oscillation amplitude are observed with the increase in B. At the same time, for a certain surface accumulation band bending, the influence of the Rashba effect, which is expressed in the oscillations decay and breakdown, is traced. The experimental capacitance-voltage curves are in a good agreement with the numeric simulation results of the self-consistent solution of Schrödinger and Poisson equations in the magnetic field, taking into account the quantization, nonparabolicity of dispersion law, and Fermi-Dirac electron statistics, with the allowance for the Rashba effect. The Landau quantum level broadening in a two-dimensional electron gas (Lorentzian-shaped density of states), due to the electron scattering mechanism, linearly depends on the magnetic field. The correlation between the interface electronic properties and the characteristic scattering times was established.

MIS capacitor studies on silicon carbide single crystals

NASA Technical Reports Server (NTRS)

Kopanski, J. J.

1990-01-01

Cubic SIC metal-insulator-semiconductor (MIS) capacitors with thermally grown or chemical-vapor-deposited (CVD) insulators were characterized by capacitance-voltage (C-V), conductance-voltage (G-V), and current-voltage (I-V) measurements. The purpose of these measurements was to determine the four charge densities commonly present in an MIS capacitor (oxide fixed charge, N(f); interface trap level density, D(it); oxide trapped charge, N(ot); and mobile ionic charge, N(m)) and to determine the stability of the device properties with electric-field stress and temperature. The section headings in the report include the following: Capacitance-voltage and conductance-voltage measurements; Current-voltage measurements; Deep-level transient spectroscopy; and Conclusions (Electrical characteristics of SiC MIS capacitors).

Characterization of a yeast sporulation-specific P450 family protein, Dit2, using an in vitro assay to crosslink formyl tyrosine.

PubMed

Bemena, Leo D; Mukama, Omar; Wang, Ning; Gao, Xiao-Dong; Nakanishi, Hideki

2018-02-01

The outermost layer of the yeast Saccharomyces cerevisiae spore, termed the dityrosine layer, is primarily composed of bisformyl dityrosine. Bisformyl dityrosine is produced in the spore cytosol by crosslinking of two formyl tyrosine molecules, after which it is transported to the nascent spore wall and assembled into the dityrosine layer by an unknown mechanism. A P450 family protein, Dit2, is believed to mediate the crosslinking of bisformyl dityrosine molecules. To characterize Dit2 and gain insight into the biological process of dityrosine layer formation, we performed an in vitro assay to crosslink formyl tyrosine with using permeabilized cells. For an unknown reason, the production of bisformyl dityrosine could not be confirmed under our experimental conditions, but dityrosine was detected in acid hydrolysates of the reaction mixtures in a Dit2 dependent manner. Thus, Dit2 mediated the crosslinking of formyl tyrosine in vitro. Dityrosine was detected when formyl tyrosine, but not tyrosine, was used as a substrate and the reaction required NADPH as a cofactor. Intriguingly, apart from Dit2, we found that the spore wall, but not the vegetative cell wall, contains bisformyl dityrosine crosslinking activity. This activity may be involved in the assembly of the dityrosine layer. © The Authors 2017. Published by Oxford University Press on behalf of the Japanese Biochemical Society. All rights reserved.

DICOM index tracker enterprise: advanced system for enterprise-wide quality assurance and patient safety monitoring

NASA Astrophysics Data System (ADS)

Zhang, Min; Pavlicek, William; Panda, Anshuman; Langer, Steve G.; Morin, Richard; Fetterly, Kenneth A.; Paden, Robert; Hanson, James; Wu, Lin-Wei; Wu, Teresa

2015-03-01

DICOM Index Tracker (DIT) is an integrated platform to harvest rich information available from Digital Imaging and Communications in Medicine (DICOM) to improve quality assurance in radiology practices. It is designed to capture and maintain longitudinal patient-specific exam indices of interests for all diagnostic and procedural uses of imaging modalities. Thus, it effectively serves as a quality assurance and patient safety monitoring tool. The foundation of DIT is an intelligent database system which stores the information accepted and parsed via a DICOM receiver and parser. The database system enables the basic dosimetry analysis. The success of DIT implementation at Mayo Clinic Arizona calls for the DIT deployment at the enterprise level which requires significant improvements. First, for geographically distributed multi-site implementation, the first bottleneck is the communication (network) delay; the second is the scalability of the DICOM parser to handle the large volume of exams from different sites. To address this issue, DICOM receiver and parser are separated and decentralized by site. To facilitate the enterprise wide Quality Assurance (QA), a notable challenge is the great diversities of manufacturers, modalities and software versions, as the solution DIT Enterprise provides the standardization tool for device naming, protocol naming, physician naming across sites. Thirdly, advanced analytic engines are implemented online which support the proactive QA in DIT Enterprise.

Technology and characterization of Thin-Film Transistors (TFTs) with a-IGZO semiconductor and high-k dielectric layer

NASA Astrophysics Data System (ADS)

Mroczyński, R.; Wachnicki, Ł.; Gierałtowska, S.

2016-12-01

In this work, we present the design of the technology and fabrication of TFTs with amorphous IGZO semiconductor and high-k gate dielectric layer in the form of hafnium oxide (HfOx). In the course of this work, the IGZO fabrication was optimized by means of Taguchi orthogonal tables approach in order to obtain an active semiconductor with reasonable high concentration of charge carriers, low roughness and relatively high mobility. The obtained Thin-Film Transistors can be characterized by very good electrical parameters, i.e., the effective mobility (μeff ≍ 12.8 cm2V-1s-1) significantly higher than that for a-Si TFTs (μeff ≍ 1 cm2V-1s-1). However, the value of sub-threshold swing (i.e., 640 mV/dec) points that the interfacial properties of IGZO/HfOx stack is characterized by high value of interface states density (Dit) which, in turn, demands further optimization for future applications of the demonstrated TFT structures.

Assessing Veterinary and Animal Science Students' Moral Judgment Development on Animal Ethics Issues.

PubMed

Verrinder, Joy M; Phillips, Clive J C

2015-01-01

Little has been done to assess veterinarians' moral judgment in relation to animal ethics issues. Following development of the VetDIT, a new moral judgment measure for animal ethics issues, this study aimed to refine and further validate the VetDIT, and to identify effects of teaching interventions on moral judgment and changes in moral judgment over time. VetDIT-V1 was refined into VetDIT-V2, and V3 was developed as a post-intervention test to prevent repetition. To test these versions for comparability, veterinary and animal science students (n=271) were randomly assigned to complete different versions. The VetDIT discriminates between stages of moral judgment, condensed into three schemas: Personal Interest (PI), Maintaining Norms (MN), and Universal Principles (UP). There were no differences in the scores for MN and UP between the versions, and we equated PI scores to account for differences between versions. Veterinary science students (n=130) who completed a three-hour small-group workshop on moral development theory and ethical decision making increased their use of UP in moral reasoning, whereas students (n=271) who received similar information in a 50-minute lecture did not. A longitudinal comparison of matched first- and third-year students (n=39) revealed no moral judgment development toward greater use of UP. The VetDIT is therefore useful for assessing moral judgment of animal and human ethics issues in veterinary and other animal-related professions. Intensive small-group workshops using moral development knowledge and skills, rather than lectures, are conducive to developing veterinary students' moral judgment.

Interface Engineering for Atomic Layer Deposited Alumina Gate Dielectric on SiGe Substrates.

PubMed

Zhang, Liangliang; Guo, Yuzheng; Hassan, Vinayak Vishwanath; Tang, Kechao; Foad, Majeed A; Woicik, Joseph C; Pianetta, Piero; Robertson, John; McIntyre, Paul C

2016-07-27

Optimization of the interface between high-k dielectrics and SiGe substrates is a challenging topic due to the complexity arising from the coexistence of Si and Ge interfacial oxides. Defective high-k/SiGe interfaces limit future applications of SiGe as a channel material for electronic devices. In this paper, we identify the surface layer structure of as-received SiGe and Al2O3/SiGe structures based on soft and hard X-ray photoelectron spectroscopy. As-received SiGe substrates have native SiOx/GeOx surface layers, where the GeOx-rich layer is beneath a SiOx-rich surface. Silicon oxide regrows on the SiGe surface during Al2O3 atomic layer deposition, and both SiOx and GeOx regrow during forming gas anneal in the presence of a Pt gate metal. The resulting mixed SiOx-GeOx interface layer causes large interface trap densities (Dit) due to distorted Ge-O bonds across the interface. In contrast, we observe that oxygen-scavenging Al top gates decompose the underlying SiOx/GeOx, in a selective fashion, leaving an ultrathin SiOx interfacial layer that exhibits dramatically reduced Dit.

Electrical properties of MOS devices fabricated on the 4H-SiC C-face.

NASA Astrophysics Data System (ADS)

Chen, Zengjun; Ahyi, A. C.; Williams, J. R.

2007-11-01

The electrical characteristics of MOS devices fabricated on the carbon face of 4H-SiC will be described. The C-face has a higher oxidation rate and a higher interface trap density compared to the Si-face. The thermal oxidation rate and the distribution of interface traps under different oxidation conditions will be discussed in this presentation. Sequential post-oxidation anneals in nitric oxide and hydrogen effectively reduces the interface density (Dit) near the conduction band edge. However, deeper in the band gap, the trap density remains higher compared to the Si-face. Time-dependent dielectric breakdown (TDDB) studies have also been performed to investigate oxide reliability on the C-face, and current-voltage measurements show that a low barrier height against carrier injection likely contributes to oxide degradation. Nevertheless, the effective channel mobility and threshold voltage for n-channel C-face lateral MOSFETs compare favorably with similar Si-face devices.

Immediate versus Delayed Treatment in the Anterior Maxilla Using Single Implants with a Laser-Microtextured Collar: 3-Year Results of a Case Series on Hard- and Soft-Tissue Response and Esthetics.

PubMed

Guarnieri, Renzo; Belleggia, Fabrizio; Grande, Maurizio

2016-02-01

To compare peri-implant marginal bone loss, soft tissue response, and esthetics following single immediate implant treatment (IIT) and delayed implant treatment (DIT) in the esthetic zone of the maxilla in well-selected patients. Adequate bone volume and ideal soft tissue level/contour were considered requirements for implant therapy, with additional prerequisites for IIT of residual alveolar bone wall integrity and a thick gingival biotype. IIT included immediate placement and provisionalization, while DIT included extraction socket preservation followed by implant placement and provisionalization 4 months later. Cortical bone levels and peri-implant mucosal conditions were evaluated at regular intervals. The esthetic outcome was objectively rated after 3 years using the pink esthetic score (PES) and white esthetic score (WES). Twelve patients received an immediate Laser-Lok® implant, and 13 patients received a delayed Laser-Lok® implant. No significant differences were found between the study groups regarding survival rate (100%). The mean bone level from the implant/abutment interface was 0.35 ± 0.18 mm for IIT and 0.42 ± 0.21 mm for DIT after 3 years (p > 0.05). Mesial and distal papillae remained stable over time in DIT. A tendency for regrowth of mesial and distal papillae was found following IIT (p < 0.05). Midfacial soft tissues remained stable over time following DIT and IIT. Within the limitations of this study (e.g., small sample size, short follow-up duration), the results suggest that regarding success rate, hard/soft tissue responses, and esthetics, DIT and IIT with single Laser-Lok® implants in the anterior maxilla are comparable and predictable options for well-selected patients. © 2015 by the American College of Prosthodontists.

Diagnostic value of brain chronic black holes on T1-weighted MR images in clinically isolated syndromes.

PubMed

Mitjana, Raquel; Tintoré, Mar; Rocca, Maria A; Auger, Cristina; Barkhof, Frederik; Filippi, Massimo; Polman, Chris; Fazekas, Franz; Huerga, Elena; Montalban, Xavier; Rovira, Alex

2014-10-01

Non-enhancing black holes (neBHs) are more common in multiple sclerosis (MS) patients with longer disease durations and progressive disease subtypes. Our aim was to analyse the added value of neBHs in patients with clinically isolated syndromes (CISs) for predicting conversion to clinically definite MS (CDMS). Patients were classified based on the presence or absence of neBHs and on the number of Barkhof-Tintoré (B-T) criteria fulfilled. Dissemination in space (DIS) was defined as the presence of at least three of the four B-T criteria. Dissemination in time (DIT)1 was defined by simultaneous presence of enhancing and non-enhancing lesions. DIT2 was defined by simultaneous presence of neBHs and T2 lesions not apparent on T1-weighted images. Focal T2-hyperintense brain lesions were identified in 87.7% of the 520 CIS patients, and 41.4% of them presented at least one neBH. Patients meeting DIS, DIT1, and DIT2 had a significantly higher rate of conversion to CDMS. After adjusting for DIS, only patients who fulfilled DIT1 preserved a significant increase in CDMS conversion. Non-enhancing black holes in CIS patients are associated with a higher risk of conversion to CDMS. However, the predictive value of this finding is lost when added to the DIS criteria. © The Author(s) 2014.

Physical Protection: the State of the Art

DTIC Science & Technology

2005-02-01

fundamentele mechanisme van adsorptie van water beschrijft; dit is ingewikkeld en kost veel tijd ; een tweede benadering is het opstellen van een eenvoudig...gasscheidingsmethoden, bij voorkeur regeneratief, zijn zeer wenselijk vanwege de logistieke voordelen en de gegarandeerde langere operatie tijd . P(T)SA is meer...in de loop van de tijd ) met vrij simpele middelen en technieken sterk worden verbeterd. Deze technieken, zoals micro-encapsulatie en toevoeging van

Enhancement of protein production via the strong DIT1 terminator and two RNA-binding proteins in Saccharomyces cerevisiae

PubMed Central

Ito, Yoichiro; Kitagawa, Takao; Yamanishi, Mamoru; Katahira, Satoshi; Izawa, Shingo; Irie, Kenji; Furutani-Seiki, Makoto; Matsuyama, Takashi

2016-01-01

Post-transcriptional upregulation is an effective way to increase the expression of transgenes and thus maximize the yields of target chemicals from metabolically engineered organisms. Refractory elements in the 3′ untranslated region (UTR) that increase mRNA half-life might be available. In Saccharomyces cerevisiae, several terminator regions have shown activity in increasing the production of proteins by upstream coding genes; among these terminators the DIT1 terminator has the highest activity. Here, we found in Saccharomyces cerevisiae that two resident trans-acting RNA-binding proteins (Nab6p and Pap1p) enhance the activity of the DIT1 terminator through the cis element GUUCG/U within the 3′-UTR. These two RNA-binding proteins could upregulate a battery of cell-wall–related genes. Mutagenesis of the DIT1 terminator improved its activity by a maximum of 500% of that of the standard PGK1 terminator. Further understanding and improvement of this system will facilitate inexpensive and stable production of complicated organism-derived drugs worldwide. PMID:27845367

Enhancement of protein production via the strong DIT1 terminator and two RNA-binding proteins in Saccharomyces cerevisiae.

PubMed

Ito, Yoichiro; Kitagawa, Takao; Yamanishi, Mamoru; Katahira, Satoshi; Izawa, Shingo; Irie, Kenji; Furutani-Seiki, Makoto; Matsuyama, Takashi

2016-11-15

Post-transcriptional upregulation is an effective way to increase the expression of transgenes and thus maximize the yields of target chemicals from metabolically engineered organisms. Refractory elements in the 3' untranslated region (UTR) that increase mRNA half-life might be available. In Saccharomyces cerevisiae, several terminator regions have shown activity in increasing the production of proteins by upstream coding genes; among these terminators the DIT1 terminator has the highest activity. Here, we found in Saccharomyces cerevisiae that two resident trans-acting RNA-binding proteins (Nab6p and Pap1p) enhance the activity of the DIT1 terminator through the cis element GUUCG/U within the 3'-UTR. These two RNA-binding proteins could upregulate a battery of cell-wall-related genes. Mutagenesis of the DIT1 terminator improved its activity by a maximum of 500% of that of the standard PGK1 terminator. Further understanding and improvement of this system will facilitate inexpensive and stable production of complicated organism-derived drugs worldwide.

Developmental immunotoxicity (DIT): assays for evaluating effects of exogenous agents on development of the immune system.

PubMed

DeWitt, Jamie C; Peden-Adams, Margie M; Keil, Deborah E; Dietert, Rodney R

2012-02-01

Developmental immunotoxicity (DIT) occurs when exposure to environmental risk factors prior to adulthood, including chemical, biological, physical, or physiological factors, alters immune system development. DIT may elicit suppression, hyperactivation, or misregulation of immune responses and may present clinically as decreased resistance to pathogens, allergic and autoimmune diseases, and inflammatory diseases. Immunotoxicity testing guidelines established by the Environmental Protection Agency for adult animals (OPPTS 8703.7800) require functional tests and immunophenotyping that are suitable for detecting immunomodulation, especially immunosuppression. However, evaluating immune function in offspring that are not fully immunocompetent yields results that are challenging to interpret. Therefore, this unit will describe an optimum exposure scenario, reference two assays (immunophenotyping and histopathology) appropriate for detecting immunomodulation in weaning-age offspring, and reference four assays (immunophenotyping, histopathology, T cell-dependent antibody responses, and delayed-type hypersensitivity) appropriate for detecting immunomodulation in immunocompetent offspring. The protocol also will reference other assays (natural killer cell and cytotoxic T lymphocyte) with potential utility for assessing DIT. © 2012 by John Wiley & Sons, Inc.

Quantum information processing by weaving quantum Talbot carpets

NASA Astrophysics Data System (ADS)

Farías, Osvaldo Jiménez; de Melo, Fernando; Milman, Pérola; Walborn, Stephen P.

2015-06-01

Single-photon interference due to passage through a periodic grating is considered in a novel proposal for processing D -dimensional quantum systems (quDits) encoded in the spatial degrees of freedom of light. We show that free-space propagation naturally implements basic single-quDit gates by means of the Talbot effect: an intricate time-space carpet of light in the near-field diffraction regime. By adding a diagonal phase gate, we show that a complete set of single-quDit gates can be implemented. We then introduce a spatially dependent beam splitter that allows for projective measurements in the computational basis and can be used for the implementation of controlled operations between two quDits. Universal quantum information processing can then be implemented with linear optics and ancilla photons via postselection and feed-forward following the original proposal of Knill-Laflamme and Milburn. Although we consider photons, our scheme should be directly applicable to a number of other physical systems. Interpretation of the Talbot effect as a quantum logic operation provides a beautiful and interesting way to visualize quantum computation through wave propagation and interference.

Investigating the Engagement of Mature Students with Mathematics Learning Support

ERIC Educational Resources Information Center

Breen, Cormac; Prendergast, Mark; Carr, Michael

2015-01-01

The Maths Learning Support Centre (MLSC) in the Dublin Institute of Technology (DIT) provides free mathematical support to all DIT students. This support is primarily delivered through a drop-in service, where students can receive one-to-one tuition, without an appointment, in any area of mathematics. In the first semester of the 2013/14 academic…

Ionizing radiation effects on electrical and reliability characteristics of sputtered Ta2O5/Si interface

NASA Astrophysics Data System (ADS)

Rao, Ashwath; Verma, Ankita; Singh, B. R.

2015-06-01

This paper describes the effect of ionizing radiation on the interface properties of Al/Ta2O5/Si metal oxide semiconductor (MOS) capacitors using capacitance-voltage (C-V) and current-voltage (I-V) characteristics. The devices were irradiated with X-rays at different doses ranging from 100 rad to 1 Mrad. The leakage behavior, which is an important parameter for memory applications of Al/Ta2O5/Si MOS capacitors, along with interface properties such as effective oxide charges and interface trap density with and without irradiation has been investigated. Lower accumulation capacitance and shift in flat band voltage toward negative value were observed in annealed devices after exposure to radiation. The increase in interfacial oxide layer thickness after irradiation was confirmed by Rutherford Back Scattering measurement. The effect of post-deposition annealing on the electrical behavior of Ta2O5 MOS capacitors was also investigated. Improved electrical and interface properties were obtained for samples deposited in N2 ambient. The density of interface trap states (Dit) at Ta2O5/Si interface sputtered in pure argon ambient was higher compared to samples reactively sputtered in nitrogen-containing plasma. Our results show that reactive sputtering in nitrogen-containing plasma is a promising approach to improve the radiation hardness of Ta2O5/Si MOS devices.

The Effects of a Hypocaloric Diet on Diet-Induced Thermogenesis and Blood Hormone Response in Healthy Male Adults: A Pilot Study.

PubMed

Ishii, Shunsuke; Osaki, Noriko; Shimotoyodome, Akira

2016-01-01

Calorie restriction is a common strategy for weight loss and management. Consumption of food and nutrients stimulates diet-induced thermogenesis (DIT), as well as pancreatic and gastrointestinal hormone secretion that may regulate energy metabolism. Yet, little is known about the impact of hypocaloric diets on energy metabolism-related parameters. In this study, we assessed the effects of hypocaloric diets on hormonal variance in relation to DIT in healthy adults. Ten healthy male adults were enrolled in a randomized crossover study comprising three meal trials. Each subject was given a meal of 200 (extremely hypocaloric), 400 (moderately hypocaloric), or 800 kcal (normocaloric). Postprandial blood variables and energy expenditure were measured for 4 h (after the 200- and 400-kcal meals) or 6 h (after the 800-kcal meal). DIT and postprandial changes in blood pancreatic peptide and ghrelin were significantly smaller after the extremely or moderately hypocaloric diet than after the normocaloric diet but were similar between the hypocaloric diets. Postprandial blood insulin, amylin, glucose-dependent insulinotropic polypeptide (GIP), and glucagon-like peptide type-1 (GLP-1) increased in a calorie-dependent manner. Thermogenic efficiency (DIT per energy intake) was negatively correlated with the maximum blood level (Cmax) (p=0.01) and incremental area under the curve (p=0.01) of the blood GIP response. Calorie restriction thus leads to hormonal responses and lower DIT in healthy adults. Extreme calorie restriction, however, led to greater thermogenic efficiency compared with moderate calorie restriction. The postprandial GIP response may be a good predictor of postprandial thermogenic efficiency.

Brown adipose tissue is involved in diet-induced thermogenesis and whole-body fat utilization in healthy humans

PubMed Central

Hibi, M; Oishi, S; Matsushita, M; Yoneshiro, T; Yamaguchi, T; Usui, C; Yasunaga, K; Katsuragi, Y; Kubota, K; Tanaka, S; Saito, M

2016-01-01

Background/Objectives: Brown adipose tissue (BAT) is a potential therapeutic target against obesity and diabetes through thermogenesis and substrate disposal with cold exposure. The role of BAT in energy metabolism under thermoneutral conditions, however, remains controversial. We assessed the contribution of BAT to energy expenditure (EE), particularly diet-induced thermogenesis (DIT), and substrate utilization in human adults. Methods: In this cross-sectional study, BAT activity was evaluated in 21 men using 18F-fluoro-2-deoxy-D-glucose positron emission tomography combined with computed tomography (18F-FDG-PET/CT) after cold exposure (19 °C). The subjects were divided into BAT-positive (n=13) and BAT-negative (n=8) groups according to the 18F-FDG-PET/CT findings. Twenty-four hour EE, DIT and respiratory quotient were measured using a whole-room indirect calorimeter at 27 °C. Results: Body composition, blood metabolites and 24-h EE did not differ between groups. DIT (%), calculated as DIT divided by total energy intake, however, was significantly higher in the BAT-positive group (BAT-positive: 9.7±2.5%, BAT-negative: 6.5±4.0%, P=0.03). The 24-h respiratory quotient was significantly lower (P=0.03) in the BAT-positive group (0.861±0.027) than in the BAT-negative group (0.889±0.024). Conclusion: DIT and fat utilization were higher in BAT-positive subjects compared to BAT-negative subjects, suggesting that BAT has a physiologic role in energy metabolism. PMID:27430878

The Development of Moral Reasoning and Perceptions of Parental Behavior in Students from Kuwait.

ERIC Educational Resources Information Center

Gielen, Uwe P.; And Others

1992-01-01

Presents a study in which students from Kuwait were given Rest's Defining Issues Test (DIT) to measure the development of moral judgment skills. Explains that results were compared with scales measuring student perception of parental behavior. Concludes that the DIT may not be a valid test for development of moral judgment in an Arab culture. (DK)

Diet-Induced Thermogenesis in Insects: A Developing Concept in Nutritional Ecology

Treesearch

Terry M. Trier; William J. Mattson

2003-01-01

Diet-induced thermogenesis (DIT) is a concept that has been well known in one form or another for more than a century in vertebrate nutrition and physiological ecology. Yet, it is practically unknown in the physiology and nutritional ecology of insects. We suggest that DIT is a ubiquitous mechanism occurring in most if not all organisms and functions to maintain...

A Comparison of the Cognitive Moral Development of Christian University Seniors in Traditional versus Adult Degree Completion Programs

ERIC Educational Resources Information Center

Loomis, Michael J.

2009-01-01

This research uses the Defining Issues Test-2 (DIT-2) to investigate the cognitive moral development of college seniors in adult degree completion (ADC) programs and traditional undergraduate (TU) programs at three Council of Christian College and University institutions. Overall, TU students had significantly higher scores on the DIT-2, TU…

Annealing effects on capacitance-voltage characteristics of a-Si/SiN(x) multilayer prepared using hot-wire chemical vapour deposition.

PubMed

Panchal, A K; Rai, D K; Solanki, C S

2011-04-01

Post-deposition annealing of a-Si/SiN(x) multilayer films at different temperature shows varying shift in high frequency (1 MHz) capacitance-voltage (HFCV) characteristics. Various a-Si/SiN(x) multilayer films were deposited using hot wire chemical vapor deposition (HWCVD) and annealed in the temperature range of 800 to 900 degrees C to precipitate Si quantum dots (Si-QD) in a-Si layers. HFCV measurements of the as-deposited and annealed films in metal-insulator-semiconductor (MIS) structures show hysterisis in C-V curves. The hysteresis in the as-deposited films and annealed films is attributed to charge trapping in Si-dangling bonds in a-Si layer and in Si-QD respectively. The charge trapping density in Si-QD increases with temperature while the interface defects density (D(it)) remains constant.

Developing Moral Maturity: An Evaluation of the Media Ethics Course Using the DIT-2

ERIC Educational Resources Information Center

Auger, Giselle A.; Gee, Charlie

2016-01-01

The purpose of this study was to add to the limited body of knowledge on the effect of the media ethics course, specifically to investigate the effect of the course on the growth in moral judgment reasoning of students through a quasi-experimental pre-test, post-test analysis using the Defining Issues Test 2 (DIT-2). Results demonstrated…

Consumption of milk-protein combined with green tea modulates diet-induced thermogenesis.

PubMed

Hursel, Rick; Westerterp-Plantenga, Margriet S

2011-08-01

Green tea and protein separately are able to increase diet-induced thermogenesis. Although their effects on long-term weight-maintenance were present separately, they were not additive. Therefore, the effect of milk-protein (MP) in combination with green tea on diet-induced thermogenesis (DIT) was examined in 18 subjects (aged 18-60 years; BMI: 23.0 ± 2.1 kg/m(2)). They participated in an experiment with a randomized, 6 arms, crossover design, where energy expenditure and respiratory quotient (RQ) were measured. Green tea (GT)vs. placebo (PL) capsules were either given in combination with water or with breakfasts containing milk protein in two different dosages: 15 g (15 MP) (energy% P/C/F: 15/47/38; 1.7 MJ/500 mL), and 3.5 g (3.5 MP) (energy% P/C/F: 41/59/0; 146.4 kJ/100 mL). After measuring resting energy expenditure (REE) for 30 min, diet-induced energy expenditure was measured for another 3.5 h after the intervention. There was an overall significant difference observed between conditions (p < 0.001). Post-hoc, areas under the curve (AUCs) for diet-induced energy expenditure were significantly different (P ≤ 0.001) for GT + water (41.11 [91.72] kJ·3.5 h) vs. PL + water (10.86 [28.13] kJ·3.5 h), GT + 3.5 MP (10.14 [54.59] kJ·3.5 h) and PL + 3.5 MP (12.03 [34.09] kJ·3.5 h), but not between GT + 3.5 MP, PL + 3.5 MP and PL + water, indicating that MP inhibited DIT following GT. DIT after GT + 15 MP (167.69 [141.56] kJ·3.5 h) and PL + 15 MP (168.99 [186.56] kJ·3.5 h) was significantly increased vs. PL + water (P < 0.001), but these were not different from each other indicating that 15 g MP stimulated DIT, but inhibited the GT effect on DIT. No significant differences in RQ were seen between conditions for baseline and post-treatment. In conclusion, consumption of milk-protein inhibits the effect of green tea on DIT.

Occupational exposure decisions: can limited data interpretation training help improve accuracy?

PubMed

Logan, Perry; Ramachandran, Gurumurthy; Mulhausen, John; Hewett, Paul

2009-06-01

Accurate exposure assessments are critical for ensuring that potentially hazardous exposures are properly identified and controlled. The availability and accuracy of exposure assessments can determine whether resources are appropriately allocated to engineering and administrative controls, medical surveillance, personal protective equipment and other programs designed to protect workers. A desktop study was performed using videos, task information and sampling data to evaluate the accuracy and potential bias of participants' exposure judgments. Desktop exposure judgments were obtained from occupational hygienists for material handling jobs with small air sampling data sets (0-8 samples) and without the aid of computers. In addition, data interpretation tests (DITs) were administered to participants where they were asked to estimate the 95th percentile of an underlying log-normal exposure distribution from small data sets. Participants were presented with an exposure data interpretation or rule of thumb training which included a simple set of rules for estimating 95th percentiles for small data sets from a log-normal population. DIT was given to each participant before and after the rule of thumb training. Results of each DIT and qualitative and quantitative exposure judgments were compared with a reference judgment obtained through a Bayesian probabilistic analysis of the sampling data to investigate overall judgment accuracy and bias. There were a total of 4386 participant-task-chemical judgments for all data collections: 552 qualitative judgments made without sampling data and 3834 quantitative judgments with sampling data. The DITs and quantitative judgments were significantly better than random chance and much improved by the rule of thumb training. In addition, the rule of thumb training reduced the amount of bias in the DITs and quantitative judgments. The mean DIT % correct scores increased from 47 to 64% after the rule of thumb training (P < 0.001). The accuracy for quantitative desktop judgments increased from 43 to 63% correct after the rule of thumb training (P < 0.001). The rule of thumb training did not significantly impact accuracy for qualitative desktop judgments. The finding that even some simple statistical rules of thumb improve judgment accuracy significantly suggests that hygienists need to routinely use statistical tools while making exposure judgments using monitoring data.

The Regional Special Operations Headquarters: Franchising the NATO Model as a Hedge in Lean Times

DTIC Science & Technology

2012-04-01

1 AIR FORCE FELLOWS AIR UNIVERSITY THE REGIONAL SPECIAL OPERATIONS HEADQUARTERS: FRANCHISING THE NATO MODEL AS A HEDGE IN LEAN...Headquarters: Franchising The NATO Model As A Hedge In Lean Times 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d...it is not copyrighted, but is the property of the United States government. 3 The Regional Special Operations Headquarters: Franchising the

X-Ray Attenuation Coefficients from 10 Kev to 100 Mev,

DTIC Science & Technology

1957-04-30

is u&Ung"w APR n 4 1994 94-10025 0 Z1UNITED STATES DEPARTMENT OF COMMERCE NATIONAL BUREAU OF STANDARDS 94 .4 1 096 Data on Radiation Physics Graphs...OF COMMERCE • Sinclair Weeks, Secretary NATIONAL BUREAU OF STANDARDS , A. V. Astin, Dirvcew X-ray Attenuation Coefficients From 10 key to 100 Mev...Dit. ibtion I Availabiilty Codes Avai# and/or Dist Special National Bureau of Standards Circular 583 Issuw1 April 30, 1957 Fo e teSpr dt

Measuring professional identity formation early in medical school.

PubMed

Kalet, Adina; Buckvar-Keltz, Lynn; Harnik, Victoria; Monson, Verna; Hubbard, Steven; Crowe, Ruth; Song, Hyuksoon S; Yingling, Sandra

2017-03-01

To assess the feasibility and utility of measuring baseline professional identity formation (PIF) in a theory-based professionalism curriculum for early medical students. All 132 entering students completed the professional identity essay (PIE) and the defining issues test (DIT2). Students received score reports with individualized narrative feedback and wrote a structured reflection after a large-group session in which the PIF construct was reviewed. Analysis of PIEs resulted in assignment of a full or transitional PIF stage (1-5). The DIT2 score reflects the proportion of the time students used universal ethical principles to justify a response to 6 moral dilemma cases. Students' reflections were content analyzed. PIF scores were distributed across stage 2/3, stage 3, stage 3/4, and stage 4. No student scores were in stages 1, 2, 4/5, or 5. The mean DIT2 score was 53% (range 9.7?76.5%); the correlation between PIF stage and DIT score was ρ =  0.18 (p = 0.03). Students who took an analytic approach to the data and demonstrated both awareness that they are novices and anticipation of continued PIF tended to respond more positively to the feedback. These PIF scores distributed similarly to novice students in other professions. Developmental-theory based PIF and moral reasoning measures are related. Students reflected on these measures in meaningful ways suggesting utility of measuring PIF scores in medical education.

In vitro screening of 50 highly prescribed drugs for thiol adduct formation--comparison of potential for drug-induced toxicity and extent of adduct formation.

PubMed

Gan, Jinping; Ruan, Qian; He, Bing; Zhu, Mingshe; Shyu, Wen C; Humphreys, W Griffith

2009-04-01

Reactive metabolite formation has been associated with drug-induced liver, skin, and hematopoietic toxicity of many drugs that has resulted in serious clinical toxicity, leading to clinical development failure, black box warnings, or, in some cases, withdrawal from the market. In vitro and in vivo screening for reactive metabolite formation has been proposed and widely adopted in the pharmaceutical industry with the aim of minimizing the property and thus the risk of drug-induced toxicity (DIT). One of the most common screening methods is in vitro thiol trapping of reactive metabolites. Although it is well-documented that many hepatotoxins form thiol adducts, there is no literature describing the adduct formation potential of safer drugs that are widely used. The objective of this study was to quantitatively assess the thiol adduct formation potential of 50 drugs (10 associated with DIT and 40 not associated) and document apparent differences in adduct formation between toxic and safer drugs. Dansyl glutathione was used as a trapping agent to aid the quantitation of adducts following in vitro incubation of drugs with human liver microsomes in the presence and absence of NADPH. Metabolic turnover of these drugs was also monitored by LC/UV. Overall, 15 out of the 50 drugs screened formed detectable levels of thiol adducts. There were general trends toward more positive findings in the DIT group vs the non-DIT group. These trends became more marked when the relative amount of thiol adducts was taken into account and improved further when dose and total daily reactive metabolite burdens were considered. In conclusion, there appears to be a general trend between the extent of thiol adduct formation and the potential for DIT, which would support the preclinical measurement and minimization of the property through screening of thiol adduct formation as part of an overall discovery optimization paradigm.

Postprandial metabolism in resistance-trained versus sedentary males.

PubMed

Thyfault, John P; Richmond, Scott R; Carper, Michael J; Potteiger, Jeffrey A; Hulver, Matthew W

2004-04-01

This investigation examined if postprandial metabolism differed between resistance-trained [(RT), N = 12] and sedentary [(SED), N = 12] males. A secondary objective was to determine whether different resistance-training programs [bodybuilding (BB), N = 8 and power/weight-lifting (PL), N = 8] resulted in disparate effects on postprandial energy metabolism. Moderate fat [(MF), 37% carbohydrate, 18% protein, and 45% fat] and high carbohydrate [(HC), 79% carbohydrate, 20% protein, and 1% fat] meals were randomly administered, and postprandial metabolism was measured for 240 min. Carbohydrate oxidation, fat oxidation, diet-induced thermogenesis (DIT), and glucose and insulin areas under the curve (AUC) were calculated. Fat oxidization/lean body mass (LBM) was significantly greater in SED after the HC (RT, 0.27 +/- 0.02 g vs SED, 0.33 +/- 0.02 g, P = 0.017) and MF (RT, 0.34 +/- 0.02 g vs SED, 0.39 +/- 0.02 g, P = 0.036) meals. Carbohydrate oxidation/LBM was significantly greater in RT after the HC meal (RT, 0.87 +/- 0.03 g vs SED, 0.74 +/- 0.04 g, P = 0.017) only. DIT and DIT/LBM were significantly greater in RT compared with SED after the HC meal (DIT: RT, 351 +/- 21 kJ vs SED, 231 +/- 23 kJ, P = 0.001; DIT/LBM: RT, 5.25 +/- 0.028 kJ vs SED, 3.92 +/- 0.37 kJ, P = 0.009). The AUC for both glucose and insulin were significantly greater in SED compared with RT in response to the HC meal but not the MF meal. There were no differences in the BB and PL groups for any measured variables in response to either the HC or MF meals. These data indicate that postprandial metabolism is different between resistance-trained and sedentary males but that no such differences exist with different resistance training styles.

Testbed Environment for Distributed Observation (testbed omgeving voor gedistribueerde waarneming)

DTIC Science & Technology

2006-05-01

het IP-adres en portnumnmer van de MID halen . Ook de naamn van de XML-file om de NID te beschrijven staat hierin vermeld (in dit geval ’CSD.xmId’) in...DeviceML beschrijving van de NID op te halen . Dit wordt gedaan door een TCP/IP verbinding op te zetten tussen de LUS en de NID (via de DeviceML port...vernisenigvuidigd! enlof openbaar gensaaki door middel van druk, fotokopie, microftinm of op welke andere wijze dan ook, zonder voorafgaande schrifielijke

The effect of agar jelly on energy expenditure, appetite, gastric emptying and glycaemic response.

PubMed

Clegg, Miriam E; Shafat, Amir

2014-01-01

Agar contains a high amount of soluble fibre and has been shown to delay gastric emptying (GE) without impacting on glycaemic response (GR). The current study aimed to further the limited data on the effect of agar on metabolism by assessing the effects on GE and GR as well as appetite- and diet-induced thermogenesis (DIT). In this randomized control trial, eleven healthy volunteers were tested on two occasions following an overnight fast. Following baseline and resting measurements, volunteers were either fed a fruit-flavoured drink (liquid) or consumed a fruit-flavoured jelly (jelly). The two were exactly the same in composition except the jelly contained 4 g of agar crystals. Both contained 50 g of available carbohydrate. DIT was measured using indirect calorimetry, GE using the (13)C sodium acetate breath test, appetite using visual analogue scale and GR using finger prick blood samples. The jelly significantly delayed GE across all time points-latency phase (p = 0.07), lag phase (p = 0.04), half-time (p < 0.0001), ascension time (p = 0.025). The jelly also increased all appetite parameters-hunger (p = 0.006), fullness (p = 0.035), desire to eat (p = 0.03) and prospective consumption (p = 0.011). However, there were no significant differences in either GR or postprandial DIT between the liquid and jelly. Agar delays GE and increases appetite but does not change GR or DIT most probably due to the increase in viscosity caused by the agar jelly.

Consequences of the Introduction of Insensitive Munitions on Safety, Collateral Damage and Operations (consequenties van de invoering van mkm-munitie op veiligheid, gevolgschade en (internationaal) opereren

DTIC Science & Technology

2006-06-01

van de werkzaamheden In dit rapport worden de gevolgen van initiatie van munitie door een ongewilde externe stimulus beschouwd aan de hand van reele...operationele scenario’s. Dit wordt vergeleken met de gevolgen in dezelfde scenario’s, waarin gebruik is gemaakt van Minder Kwetsbare Munitie (MKM). Naast...de historie van MKM wordt uitgelegd wat Inleiding of terroristische activiteiten, maar ook door MKM is. Vervolgens worden de gevolgen Munitie en de

In-line charge-trapping characterization of dielectrics for sub-0.5-um CMOS technologies

NASA Astrophysics Data System (ADS)

Roy, Pradip K.; Chacon, Carlos M.; Ma, Yi; Horner, Gregory

1997-09-01

The advent of ultra-large and giga-scale-integration (ULSI/GSI) has placed considerable emphasis on the development of new gate oxides and interlevel dielectrics capable of meeting strict performance and reliability requirements. The costs and demands associated with ULSI fabrication have in turn fueled the need for cost-effective, rapid and accurate in-line characterization techniques for evaluating dielectric quality. The use of non-contact surface photovoltage characterization techniques provides cost-effective rapid feedback on dielectric quality, reducing costs through the reutilization of control wafers and the elimination of processing time. This technology has been applied to characterize most of the relevant C-V parameters, including flatband voltage (Vfb), density of interface traps (Dit), mobile charge density (Qm), oxide thickness (Tox), oxide resistivity (pox) and total charge (Qtot) for gate and interlevel (ILO) oxides. A novel method of measuring tunneling voltage by this technique on various gate oxides is discussed. For ILO, PECVD and high density plasma dielectrics, surface voltage maps are also presented. Measurements of near-surface silicon quality are described, including minority carrier generation lifetime, and examples of their application in diagnosing manufacturing problems.

Origin of flatband voltage shift and unusual minority carrier generation in thermally grown GeO2/Ge metal-oxide-semiconductor devices

NASA Astrophysics Data System (ADS)

Hosoi, Takuji; Kutsuki, Katsuhiro; Okamoto, Gaku; Saito, Marina; Shimura, Takayoshi; Watanabe, Heiji

2009-05-01

Improvement in electrical properties of thermally grown GeO2/Ge metal-oxide-semiconductor (MOS) capacitors, such as significantly reduced flatband voltage (VFB) shift, small hysteresis, and minimized minority carrier response in capacitance-voltage (C-V) characteristics, has been demonstrated by in situ low temperature vacuum annealing prior to gate electrode deposition. Thermal desorption analysis has revealed that not only water but also hydrocarbons are easily infiltrated into GeO2 layers during air exposure and desorbed at around 300 °C, indicating that organic molecules within GeO2/Ge MOS structures are possible origins of electrical defects. The inversion capacitance, indicative of minority carrier generation, increases with air exposure time for Au/GeO2/Ge MOS capacitors, while maintaining an interface state density (Dit) of about a few 1011 cm-2 eV-1. Unusual increase in inversion capacitance was found to be suppressed by Al2O3 capping (Au/Al2O3/GeO2/Ge structures). This suggests that electrical defects induced outside the Au electrode by infiltrated molecules may enhance the minority carrier generation, and thus acting as a minority carrier source just like MOS field-effect transistors.

Al203 thin films on Silicon and Germanium substrates for CMOS and flash memory applications

NASA Astrophysics Data System (ADS)

Gopalan, Sundararaman; Dutta, Shibesh; Ramesh, Sivaramakrishnan; Prathapan, Ragesh; Sreehari G., S.

2017-07-01

As scaling of device dimensions has continued, it has become necessary to replace traditional SiO2 with high dielectric constant materials in the conventional CMOS devices. In addition, use of metal gate electrodes and Germanium substrates may have to be used in order to address leakage and mobility issues. Al2O3 is one of the potential candidates both for CMOS and as a blocking dielectric for Flash memory applications owing to its low leakage. In this study, the effects of sputtering conditions and post-deposition annealing conditions on the electrical and reliability characteristics of MOS capacitors using Al2O3 films on Si and Ge substrates with Aluminium gate electrodes have been presented. It was observed that higher sputtering power resulted in larger flat-band voltage (Vfb) shifts, more hysteresis, higher interface state density (Dit) and a poorer reliability. Wit was also found that while a short duration high temperature annealing improves film characteristics, a long duration anneal even at 800C was found to be detrimental to MOS characteristics. Finally, the electronic conduction mechanism in Al2O3 films was also studied. It was observed that the conduction mechanism varied depending on the annealing condition, thickness of film and electric field.

Role of thyroidal and testicular hormones in regulation of tissue respiration in male air-breathing fish, Clarias batrachus (Linn.).

PubMed

Lynshiang, D S; Gupta, B B

2000-07-01

In vivo and in vitro effects of thyroidal hormones (MIT, DIT, T3, T4), propyl thiouracil (PTU), testosterone and cyproterone acetate were studied on the rate of tissue (liver, muscle, kidney and brain) respiration of adult male C. batrachus during winter and summer/rainy seasons. Monoiodotyrosine (MIT) and diiodothyrosine (DIT) increased the respiratory rate in a dose-dependent and temperature-independent manner. Triiodothyronine (T3) and thyroxine (T4) stimulated tissue respiration during summer/rainy months but not during winter. PTU decreased tissue respiration during summer/rainy season and also at simulated low temperature. Testosterone invariably stimulated the rate of respiration of the tissues, while in vivo treatment with cyproterone acetate significantly decreased the metabolic rate of all the tissues. The findings suggest that in C. batrachus MIT and DIT may be more important than T3 and T4 at low temperature, endogenous thyroid hormones are involved indirectly in energy metabolism even during winter/at low temperature and testicular hormones are actively involved in the respiration.

An investigation of final year pharmacy students' moral reasoning ability, and their views on professionalism and fitness to practice panel determinations: A questionnaire study.

PubMed

Hanna, Lezley-Anne; Gillen, John; Hall, Maurice

2017-07-01

The aim was to establish pharmacy students' moral reasoning ability and obtain their views on professionalism and fitness to practice (FtP) determinations involving pharmacists. Following ethical approval and piloting, final year pharmacy students at Queen's University Belfast (QUB) (n=119) were invited to participate in a questionnaire study. Section A was a validated moral reasoning assessment tool [Defining Issues Test (DIT2); five moral dilemmas], Section B was FtP cases and professionalism. Distribution occurred at a compulsory class. DIT2 data were scored by the University of Alabama. Descriptive statistics and non-parametric tests were used with significance level set at 0.05 a priori. The response rate was 94.1% (112/119) and the 'DIT2 P score mean' (postconventional schema) was 25.21±14.10. Almost all [(98.2% (110/112)] fully understood the term "professionalism" and 83.9% (94/112) considered it reasonable for a professional code to apply always (within university and out socializing). Differences in opinions existed depending on what the FtP case related to. Students were significantly more likely to consider a 12-month suspension 'very lenient' or 'lenient' for a pharmacist's personal use of illicit drugs compared with theft of money/cosmetics (42.0% versus 64.3%; p=0.031). There were no significant differences between male and female responses/scores and no strong correlations between DIT2 scores and FtP/professionalism responses. Pharmacy students appeared to understand professionalism and accepted being bound by a code. A level of discrimination between the FtP cases was evident. Moral reasoning ability was lower than expected for future healthcare professionals (see manuscript) requiring attention. Copyright © 2017 Elsevier Inc. All rights reserved.

Ultrasound-assisted enzymatic hydrolysis for iodinated amino acid extraction from edible seaweed before reversed-phase high performance liquid chromatography-inductively coupled plasma-mass spectrometry.

PubMed

Romarís-Hortas, Vanessa; Bermejo-Barrera, Pilar; Moreda-Piñeiro, Antonio

2013-09-27

The combination of reverse phase high performance liquid chromatography (RP-HPLC) with inductively coupled plasma mass spectrometry (ICP-MS) was used for the determination of monoiodotyrosine (MIT) and diiodotyrosine (DIT) in edible seaweed. A sample pre-treatment based on ultrasound assisted enzymatic hydrolysis was optimized for the extraction of these iodinated amino acids. Pancreatin was selected as the most adequate type of enzyme, and parameters affecting the extraction efficiency (pH, temperature, mass of enzyme and extraction time) were evaluated by univariate approaches. In addition, extractable inorganic iodine (iodide) was also quantified by anion exchange high performance liquid chromatography (AE-HPLC) coupled with ICP-MS. The proposed procedure offered limits of detection of 1.1 and 4.3ngg(-1) for MIT and DIT, respectively. Total iodine contents in seaweed, as well as total iodine in enzymatic digests were measured by ICP-MS after microwave assisted alkaline digestion with tetramethylamonium hydroxide (TMAH) for total iodine assessment, and also by treating the pancreatin extracts (extractable total iodine assessment). The optimized procedure was successfully applied to five different types of edible seaweed. The highest total iodine content, and also the highest iodide levels, was found in the brown seaweed Kombu (6646±45μgg(-1)). Regarding iodinated amino acids, Nori (a red seaweed) was by far the one with the highest amount of both species (42±3 and 0.41±0.024μgg(-1) for MIT and DIT, respectively). In general, MIT concentrations were much higher than the amounts of DIT, which suggests that iodine from iodinated proteins in seaweed is most likely bound in the form of MIT residues. Copyright © 2013 Elsevier B.V. All rights reserved.

Characterization, modeling and physical mechanisms of different surface treatment methods at room temperature on the oxide and interfacial quality of the SiO2 film using the spectroscopic scanning capacitance microscopy

NASA Astrophysics Data System (ADS)

Wong, Kin Mun

In this article, a simple, low cost and combined surface treatment method [pre-oxidation immersion of the p-type silicon (Si) substrate in hydrogen peroxide (H2O2) and post oxidation ultra-violet (UV) irradiation of the silicon-dioxide (SiO2) film] at room temperature is investigated. The interface trap density at midgap [Dit(mg)] of the resulting SiO2 film (denoted as sample 1A) is quantified from the full width at half-maximum of the scanning capacitance microscopy (SCM) differential capacitance (dC/dV) characteristics by utilizing a previously validated theoretical model. The Dit(mg) of sample 1A is significantly lower than the sample without any surface treatments which indicates that it is a viable technique for improving the interfacial quality of the thicker SiO2 films prepared by wet oxidation. Moreover, the proposed combined surface treatment method may possibly complement the commonly used forming gas anneal process to further improve the interfacial quality of the SiO2 films. The positive shift of the flatband voltage due to the overall oxide charges (estimated from the probe tip dc bias at the peak dC/dV spectra) of sample 1A suggests the presence of negative oxide fixed charge density (Nf) in the oxide. In addition, an analytical formula is derived to approximate the difference of the Nf values between the oxide samples that are immersed in H2O2 and UV irradiated from their measured SCM dC/dV spectra. Conversely, some physical mechanisms are proposed that result in the ionization of the SiO- species (which are converted from the neutral SiOH groups that originate from the pre-oxidation immersion in H2O2 and ensuing wet oxidation) during the UV irradiation as well as the UV photo-injected electrons from the Si substrate (which did not interact with the SiOH groups). They constitute the source of mobile electrons which partially passivate the positively charged empty donor-like interface traps at the Si-SiO2 interface.

Mechanism of non-appearance of hiatus in Tibetan Plateau.

PubMed

Ma, Jieru; Guan, Xiaodan; Guo, Ruixia; Gan, Zewen; Xie, Yongkun

2017-06-30

In the recent decade, hiatus is the hottest issue in the community of climate change. As the area of great importance, the Tibetan Plateau (TP), however, did not appear to have any warming stoppage in the hiatus period. In fact, the TP showed a continuous warming in the recent decade. To explore why the TP did not show hiatus, we divide the surface air temperature into dynamically-induced temperature (DIT) and radiatively-forced temperature (RFT) by applying the dynamical adjustment method. Our results show that DIT displayed a relatively uniform warming background in the TP, with no obvious correlations with dynamic factors. Meanwhile, as the major contribution to warming, the RFT effect over the TP played the dominant role. The warming role is illustrated using the temperature change between perturbed and control simulation responses to CO 2 or black carbon (BC) forcing via Community Earth System Model (CESM). It shows that an obvious warming in the TP is induced by the CO 2 warming effect, and BC exhibits an amplifying effect on the warming. Therefore, the continuous warming in the TP was a result of uniform DIT warming over a large scale and enhanced RFT warming at a regional scale.

Diet-induced thermogenesis in postoperatve Roux-en-Y gastric bypass patients with weight regain.

PubMed

Cardeal, Mariane de Almeida; Faria, Silvia Leite; Faria, Orlando Pereira; Facundes, Marcela; Ito, Marina Kiyomi

2016-06-01

Bariatric surgery has been shown to be an effective treatment for obesity. Changes in energy expenditure, especially through diet-induced thermogenesis (DIT), have been identified as one of the mechanisms to explain this success. However, not all patients are able to maintain healthy postoperative weight loss. Therefore, a question arises: In the weight regain after bariatric surgery, are these changes in energy metabolism still active? To investigate if weight regain after Roux-en-Y gastric bypass (RYGB) surgery is associated with a lower diet-induced thermogenesis in the late postoperative period. A cross-sectional study with the participants chosen from among the patients from a private practice. This was a cross-sectional study where 3 groups of female patients were evaluated: (1) 20 patients with a RYGB postoperative time period of at least 2 years, who kept a healthy weight after surgery (loss of at least 50% of excess weight; Healthy group); (2) 19 patients with clinically severe obesity (BMI>40 kg/m(2), without co-morbidities and>35 kg/m(2), with co-morbidities; Pre group); (3) 18 patients who experienced weight regain after RYGB (Regain group). The 3 groups were submitted to indirect calorimetry to measure resting metabolic rate (RMR), respiratory quotient (RQ), and DIT. Immediately after the RMR measurement, a mixed meal of regular consistency was offered. Ten minutes after the food intake began, energy expenditure measurements were initiated continuing throughout the following 3 postprandial hours. Body composition was evaluated using multifrequency bioelectrical impedance. In subgroups of the studied population, glucose and insulin levels were measured at baseline and at 30, 60, 90, 120, and 180 minutes after feeding. The mean area under the curve (AUC) between the 3 groups and measurements at baseline were compared using the analysis of variance (ANOVA). The Healthy group had the highest weight adjusted RMR value compared with both the Pre and Regain group (23.03±3.02 kcal/kg; 16.18±2.94 kcal/kg; 17.11±3.28 kcal/kg, respectively; P<.0001). The Regain and Pre groups showed no difference for this variable. The weight-adjusted DIT (AUC 0-180 min) was about 42% and 34% higher in the Healthy group compared with the Pre and Regain groups, respectively (P<.0001). Lean body mass (kg) showed a positive correlation with the AUC of weight-adjusted DIT in the 3 groups. Multiple regression revealed that lean body mass was the only variable related to weight adjusted DIT, independent of group and other selected variables. Weight-adjusted DIT in the Regain group was smaller compared with the Healthy group, and with no difference compared with the Pre group. The lean body mass seems to have a positive association with diet-induced thermogenesis. Copyright © 2016 American Society for Bariatric Surgery. Published by Elsevier Inc. All rights reserved.

Improved hybrid solar cells via in situ UV-polymerization.

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

Tepavcevic, S.; Darling, S. B.; Dimitrijevic, N. M.

One approach for making inexpensive inorganic-organic hybrid photovoltaic (PV) cells is to fill highly ordered TiO{sub 2} nanotube (NT) arrays with solid organic hole conductors such as conjugated polymers. Here, a new in situ UV polymerization method for growing polythiophene (UV-PT) inside TiO{sub 2} NTs is presented and compared to the conventional approach of infiltrating NTs with pre-synthesized polymer. A nanotubular TiO{sub 2} substrate is immersed in a 2,5-diiodothiophene (DIT) monomer precursor solution and then irradiated with UV light. The selective UV photodissociation of the C-I bond produces monomer radicals with intact {pi}-ring structure that further produce longer oligothiophene/PT molecules.more » Complete photoluminescence quenching upon UV irradiation suggests coupling between radicals created from DIT and at the TiO{sub 2} surface via a charge transfer complex. Coupling with the TiO{sub 2} surface improves UV-PT crystallinity and {pi}-{pi} stacking; flat photocurrent values show that charge recombination during hole transport through the polymer is negligible. A non-ideal, backside-illuminated setup under illumination of 620-nm light yields a photocurrent density of {approx} 5 {micro}A cm{sup -2} - surprisingly much stronger than with comparable devices fabricated with polymer synthesized ex situ. Since in this backside architecture setup we illuminate the cell through the Ag top electrode, there is a possibility for Ag plasmon-enhanced solar energy conversion. By using this simple in situ UV polymerization method that couples the conjugated polymer to the TiO{sub 2} surface, the absorption of sunlight can be improved and the charge carrier mobility of the photoactive layer can be enhanced.« less

Inelastic processes in atomic collisions involving ground state and laser-prepared atoms

NASA Astrophysics Data System (ADS)

Planje, Willem Gilles

1999-11-01

In dit proefschrift worden experimenten beschreven waarbij ionen of atomen met een bepaalde snelheid op een ensemble van doelwitatomen worden gericht. Wanneer twee deeltjes elkaar voldoende genaderd hebben, vindt er wissel- werking plaats waarbij allerlei processen kunnen optreden. Deze processen resulteren in specieke eindproducten. Kennis over de interactie tussen twee botsingspartners wordt verkregen door te bekijken welke eindproducten ontstaan, en in welke mate. Een belangrijke grootheid die van invloed is op mogelijke processen is de onderlinge snelheid van de twee kernen, oftewel de botsingssnelheid. Wanneer de botsingssnelheid voldoende klein is dan kunnen de verschillende reactiemechanismen zowel kwalitatief als kwanti- tatief vaak goed voorspeld worden door het systeem te beschouwen als een kort-stondig molecuul, opgebouwd uit de twee botsende deeltjes. De ver- schillende processen die kunnen optreden worden gekwaliceerd afhankelijk van de vorming van bepaalde eindproducten. Ruwweg de volgende indeling kan gemaakt worden: 1. de interne structuur van de eindproducten zijn identiek aan die van de beginproducten. We spreken dan van een elastische botsing. 2. e en van de deeltjes of beiden worden in een aangeslagen toestand ge- bracht (of ge¨oniseerd). Dit zijn processen waarbij de herschikte elek- tronen zich bij de oorspronkelijke kern bevinden. We spreken dan van excitatie of ionisatie. 3. e en of meerdere elektronen bevinden zich bij de andere kern na de botsing (eventueel in aangeslagen toestand). We spreken dan van elek- tronenoverdracht. In het eerste deel van deze dissertatie worden botsingsexperimenten tussen heliumionen en natriumatomen beschreven waarbij het proces van elek- tronenoverdracht wordt onderzocht. Bij dit mechanisme is het buitenste 117?Samenvatting natriumelektron betrokken. Deze kan relatief gemakkelijk `overspringen' naar het heliumion wanneer deze zich dicht in de buurt van het natrium- atoom bevindt. Het elektron kan hierbij een bepaalde (aangeslagen) toe- stand bezetten. Wij meten de bezetting van de heliumtoestanden die onder uitzending van XUV licht ( ? 58 nm) vervallen naar de heliumgrondtoe- stand. Door de lichtintensiteit te meten onderzoeken we de mate van elek- tronenoverdracht naar een selecte groep van singlet helium`eind'toestanden, namelijk He(1s2p), He(1s3s), He(1s3p) en He(1s3d). In een reactie- vergelijking ziet het mechanisme er als volgt uit: He + (1s) + ( Na(3s) Na(3p) e- -! He + Na + -! He(1s 2 ) +h(58 nm) + Na + Het experiment kent een extra dimensie door het feit dat het, in beginsel bol- symmetrische, natriumatoom een bepaalde ruimtelijk uitlijning kan worden meegegeven. Met behulp van laserlicht van een specieke frequentie en po- larisatie, wordt het buitenste natriumelektron in een aangeslagen p toestand gebracht. Het aanslaan naar deze toestand heeft als gevolg dat het valentie- elektron zich op grotere afstand van zijn kern bevindt dan voorheen. Daar- naast kan, afhankelijk van de gebruikte laserpolarisatie, het buitenste elek- tron zich nu rond de natriumkern bewegen volgens een bepaalde anisotrope verdeling, de bolsymmetrie is doorbroken. De eecten van de excitatie en ruimtelijk verdeling van dit natriumelektron op het proces van elektronen- overdracht zijn onderzocht voor botsingsenergie¨en vari¨erend van 0.5 keV tot 6.0 keV. De metingen laten zien dat het eect van laserexcitatie een bezettingstoe- name van de beschouwde singlet heliumtoestanden betekent, ongeacht de uitlijning van het natrium 3p elektron. Dit is simpelweg te begrijpen uit het feit dat het 3p natrium elektron minder sterk gebonden is en elektro- nenoverdracht makkelijker gaat. Daarnaast is de uitlijning van het aanges- lagen elektron van invloed op de elektronenoverdracht. De resultaten zijn vergeleken met berekeningen van S.E. Nielsen en T.H. Rod [13], die de elek- tronoverdracht beschrijven in een model waarbij het betrokken elektron zich beweegt in bepaalde eectieve potentiaalvelden. De goede overeenkomsten van onze metingen met de berekeningen rechtvaardigen de theoretische be- nadering van Nielsen en Rod. 118?Samenvatting In het tweede gedeelte van het proefschrift worden botsingen beschouwd tussen helium- en neonatomen. Hierbij wordt nu niet gekeken naar bots- ingsproducten die zich manifesteren door bepaald licht uit te zenden, maar een elektron emitteren met een bepaalde energie. Verschillende soorten `eind'producten kunnen elektronen uitzenden, waaronder de negatieve ion- toestanden. Het elektronenspectrum, gemeten voor dit botsingssysteem, vertoont twee pieken die het spectrum domineren bij 16.2 eV en 19.4 eV voor verschillende botsingsenergie¨en tussen de 0.35 keV en 6.0 keV. Deze piekstructuren wijzen op de vorming van de kort-levende, negatieve iontoe- standen Ne-(2p 5 3s 2 ) en He-(1s2s 2 ) ten gevolge van de overdracht van e en elektron: He 0 + Ne 0 -! He-(1s2s 2 ) +Ne + (2p 5 ) 3 10- 14 s -! He 0 (1s 2 ) +Ne + + e- (19.37 eV) He 0 + Ne 0 -! He + (1s) +Ne-(2p 5 3s 2 ) 2:5 10- 13 s -! He + (1s) +Ne 0 (2p 6 ) +e- (16.15 eV) De meetresultaten vertonen een fenomeen waarbij de bezettingen van de negatieve iontoestanden een oscillerend gedrag vertonen als functie van de botsingssnelheid. Dit duidt op interferentie tussen de twee bijna-ontaarde moleculaire toestanden [He- + Ne + ] en[He + + Ne-]. Het is echter zeer op- merkelijk dat deze oscillatie wordt waargenomen in een experiment als deze, waarin de uitgezonden elektronen worden gemeten ongeacht de afbuighoek van het heliumatoom. Dit impliceert een speciek aanslagmechanisme van de moleculaire negatieve iontoestanden. Nader beschouwing van het bots- ingssysteem laat zien dat het instantane molecuul twee overgangen moet ondergaan voordat de negatieve iontoestanden gevormd worden. Als gevolg hiervan is de snelheid waarmee het negatieve en positieve ion uit elkaar be- wegen nagenoeg onafhankelijk van de afbuighoek van het helium projectiel en is oscillatie mogelijk waarneembaar. De wisselwerking tussen de twee beschouwde moleculaire toestanden impliceert gecorreleerde overdracht van twee elektronen: He- + Ne + 2e- ! He + + Ne- Door het quasi-resonante systeem als resonant te beschouwen kan het fenomeen kwalitatief goed verklaard worden. 119?Samenvatting Inhet laatstedeelwordt de bevolkingvanauto¨oniserende natriumtoestanden bekeken in He +=0 + Na botsingen. In tegenstelling tot de voorgaande exper- imenten waarin elektronenoverdracht beschouwd werd, betreft het hier een excitatiemechanisme. De beschouwde `eind'producten, i.e. de auto¨oniserende natriumtoestanden, bestaan in het algemeen kort en gaan over naar een stabiele iontoestand onder uitzending van een elektron met een toestands- karakteristieke kinetische energie. Door de elektronenspectra te meten bij verschillende botsingsenergie¨en, wordt de bezetting van de auto¨oniserende toestanden onderzocht. Ook hier wordt het eect van laserexcitatie en laser- polarisatie van het natriumatoom op de vorming van deze toestanden, en de mate waarin, bekeken. De metingen laten zien dat zowel in He + -Na als in He 0 -Na botsingen de invloed van de ruimtelijk uitlijning van het buitenste natriumelektron op de elektronenspectra nihil is. Dit impliceert dat het betrokken 3p elektron hoofdzakelijk een passieve rol speelt in de vorming van auto¨oniserende toe- standen: het blijft hoofdzakelijk de 3p toestand bezetten als een `toeschouwer' zonder een overgang te maken naar een andere toestand. Dit wordt boven- dien bevestigd door het feit dat wanneer een fractie natriumatomen aange- slagen wordt naar de p toestand dit een even grote reductie betekent van onder meer de populatie van de auto¨oniserende toestand Na(2p 5 3s 2 ). De verwachte grote toename van Na(2p 5 3p 2 ) toestanden, in geval van Na(3p) doelwitten, is niet waargenomen. 120?121?122

SU-E-P-45: An Analytical Formula for Deriving Mechanical Iso-Center of Rotational Gantry Treatment Unit Rotational Gantry Treatment Unit

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

Ding, X; Bues, M

2015-06-15

Purpose: To present an analytical formula for deriving mechanical isocenter (MIC) of a rotational gantry treatment unit. The input data to the formula is obtained by a custom-made device. The formula has been implemented and used in an operational proton therapy facility since 2005. Methods: The custom made device consisted of 3 mutually perpendicular dial indicators and 5 clinometers, to obtain displacement data and gantry angle data simultaneously. During measurement, a steel sphere was affixed to the patient couch, and the device was attached to the snout rotating with the gantry. The displacement data and angle data were obtained simultaneouslymore » at angular increments of less than 1 degree. The analytical formula took the displacement and angle as input and derived the positions of dial indicator tips (DIT) position in room-fixed coordinate system. The formula derivation presupposes trigonometry and 3-dimentional coordinate transformations. Due to the symmetry properties of the defining equations, the DIT position can be solved for analytically without using mathematical approximations. We define the mean of all points in the DIT trajectory as the MIC. The formula was implemented in computer code, which has been employed during acceptance test, commissioning, as well as routine QA practice in an operational proton facility since 2005. Results: It took one minute for the custom-made device to acquire the measurement data for a full gantry rotation. The DIT trajectory and MIS are instantaneously available after the measurement. The MIC Result agrees well with vendor’s Result, which came from a different measurement setup, as well as different data analysis algorithm. Conclusion: An analytical formula for deriving mechanical isocenter was developed and validated. The formula is considered to be absolutely accurate mathematically. Be analyzing measured data of radial displacements as function of gantry angle, the formula calculates the MI position in room coordinate.« less

Energy Metabolism Profile in Individuals with Prader-Willi Syndrome and Implications for Clinical Management: A Systematic Review.

PubMed

Alsaif, Maha; Elliot, Sarah A; MacKenzie, Michelle L; Prado, Carla M; Field, Catherine J; Haqq, Andrea M

2017-11-01

Prader-Willi syndrome (PWS) is a rare genetic disorder associated with excessive weight gain. Hyperphagia associated with PWS may result in higher energy intake, but alterations in energy expenditure may also contribute to energy imbalance. The purpose of this critical literature review is to determine the presence of alterations in energy expenditure in individuals with PWS. Ten studies that measured total energy expenditure (TEE), resting energy expenditure (REE), sleep energy expenditure (SEE), activity energy expenditure (AEE), and diet induced thermogenesis (DIT) were included in this review. The studies provided evidence that absolute TEE, REE, SEE, and AEE are lower in individuals with PWS than in age-, sex-, and body mass index-matched individuals without the syndrome. Alterations in lean body mass and lower physical activity amounts appear to be responsible for the lower energy expenditure in PWS rather than metabolic differences. Regardless of the underlying mechanism for lower TEE, the estimation of energy requirements with the use of equations derived for the general population would result in weight gain in individuals with PWS. The determination of energy requirements for weight management in individuals with PWS requires a more comprehensive understanding of energy metabolism. Future studies should aim to comprehensively profile all specific components of energy expenditure in individuals with PWS with the use of appropriately matched controls and gold standard methods to measure energy metabolism and body composition. One component of energy expenditure that is yet to be explored in detail in PWS is DIT. A reduced DIT (despite differences in fat free mass), secondary to hormonal dysregulation, may be present in PWS individuals, leading to a reduced overall energy expenditure. Further research exploring DIT in PWS needs to be conducted. Dietary energy recommendations for weight management in PWS have not yet been clearly established. © 2017 American Society for Nutrition.

Doubling diet fat on sugar ratio in children with mitochondrial OXPHOS disorders: Effects of a randomized trial on resting energy expenditure, diet induced thermogenesis and body composition.

PubMed

Béghin, Laurent; Coopman, Stéphanie; Schiff, Manuel; Vamecq, Joseph; Mention-Mulliez, Karine; Hankard, Régis; Cuisset, Jean-Marie; Ogier, Hélène; Gottrand, Frédéric; Dobbelaere, Dries

2016-12-01

Mitochondrial OXPHOS disorders (MODs) affect one or several complexes of respiratory chain oxidative phosphorylation. An increased fat/low-carbohydrate ratio of the diet was recommended for treating MODs without, however, evaluating its potential benefits through changes in the respective contributions of cell pathways (glycolysis, fatty acid oxidation) initiating energy production. Therefore, the objective of the present work was to compare Resting Energy Expenditure (REE) under basal diet (BD) and challenging diet (CD) in which fat on sugar content ratio was doubled. Diet-induced thermogenesis (DIT) and body compositions were also compared. Energetic vs regulatory aspects of increasing fat contribution to total nutritional energy input were essentially addressed through measures primarily aiming at modifying total fat amounts and not the types of fats in designed diets. In this randomized cross-over study, BD contained 10% proteins/30% lipids/60% carbohydrates (fat on sugar ratio = 0.5) and was the imposed diet at baseline. CD contained 10% proteins/45% lipids/45% carbohydrates (fat on sugar ratio = 1). Main and second evaluation criteria measured by indirect calorimetry (QUARK RMR ® , Cosmed, Pavona; Italy) were REE and DIT, respectively. Thirty four MOD patients were included; 22 (mean age 13.2 ± 4.7 years, 50% female; BMI 16.9 ± 4.2 kg/m 2 ) were evaluated for REE, and 12 (mean age 13.8 ± 4.8 years, 60% female; BMI 17.4 ± 4.6 kg/m 2 ) also for DIT. OXPHOS complex deficiency repartition in 22 analysed patients was 55% for complex I, 9% for complex III, 27% for complex IV and 9% for other proteins. Neither carry-over nor period effects were detected (p = 0.878; ANOVA for repeated measures). REE was similar between BD vs CD (1148.8 ± 301.7 vs 1156.1 ± 278.8 kcal/day; p = 0.942) as well as DIT (peak DIT 260 vs 265 kcal/day; p = 0.842) and body composition (21.9 ± 13.0 vs 21.6 ± 13.3% of fat mass; p = 0.810). Doubling diet fat on sugar ratio does not appear to improve, per se, energetic status and body composition of patients with MODs. Copyright © 2016 Elsevier Ltd and European Society for Clinical Nutrition and Metabolism. All rights reserved.

Impact of process temperature on GaSb metal-oxide-semiconductor interface properties fabricated by ex-situ process

NASA Astrophysics Data System (ADS)

Yokoyama, Masafumi; Asakura, Yuji; Yokoyama, Haruki; Takenaka, Mitsuru; Takagi, Shinichi

2014-06-01

We have studied the impact of process temperature on interface properties of GaSb metal-oxide-semiconductor (MOS) structures fabricated by an ex-situ atomic-layer-deposition (ALD) process. We have found that the ALD temperature strongly affects the Al2O3/GaSb MOS interface properties. The Al2O3/GaSb MOS interfaces fabricated at the low ALD temperature of 150 °C have the minimum interface-trap density (Dit) of ˜4.5 × 1013 cm-2 eV-1. We have also found that the post-metalization annealing at temperature higher than 200 °C degrades the Al2O3/GaSb MOS interface properties. The low-temperature process is preferable in fabricating GaSb MOS interfaces in the ex-situ ALD process to avoid the high-temperature-induced degradations.

On the annealing-induced enhancement of the interface properties of NiO:Cu/wet-SiOx/n-Si tunnelling junction solar cells

NASA Astrophysics Data System (ADS)

Yang, Xueliang; Liu, Wei; Chen, Jingwei; Sun, Yun

2018-04-01

Using metal oxides to form a carrier-selective interface on crystalline silicon (c-Si) has recently generated considerable interest for use with c-Si photovoltaics because of the potential to reduce cost. n-type oxides, such as MoO3, V2O5, and WO3, have been widely studied. In this work, a p-type oxide, Cu-doped NiO (NiO:Cu), is explored as a transparent hole-selective contact to n-Si. An ultrathin SiOx layer, fabricated by a wet-chemical method (wet-SiOx), is introduced at the NiO:Cu/n-Si interface to achieve a tunnelling junction solar cell. Interestingly, it was observed that the interface quality of the NiO:Cu/wet-SiOx/n-Si heterojunction was dramatically enhanced by post-deposition annealing (PDA) at a temperature of 200 °C. Our device exhibits an improved power conversion efficiency of 10.8%, which is the highest efficiency among NiO/Si heterojunction photo-electric devices to date. It is demonstrated that the 200 °C PDA treatment enhances the built-in field by a reduction in the interface density of states (Dit) but does not influence the work function of the NiO:Cu thin layer. This stable work function after the PDA treatment is in conflict with the changed built-in field according to the Schottky model. Thus, the Bardeen model is introduced for this physical insight: the enhancement of the built-in field originates from the unpinning of the Fermi levels of NiO:Cu and n-Si by the interface state reduction.

Characterization of five terminator regions that increase the protein yield of a transgene in Saccharomyces cerevisiae.

PubMed

Ito, Yoichiro; Yamanishi, Mamoru; Ikeuchi, Akinori; Imamura, Chie; Tokuhiro, Kenro; Kitagawa, Takao; Matsuyama, Takashi

2013-12-01

Strong terminator regions could be used to improve metabolically engineered yeasts by increasing the target enzyme protein yields above those achieved with traditional terminator regions. We recently identified five strong terminator regions (RPL41Bt, RPL15At, DIT1t, RPL3t, and IDP1t) in a comprehensive analysis of Saccharomyces cerevisiae. The effect of the terminator regions was analyzed by measuring the protein production of a linked transgene, and was shown to be twice that of a traditional terminator region (PGK1t). Here, we investigated whether the activity of the terminator regions is affected by exchange of a strong promoter or reporter in the linked transgene, carbon source for cell growth, stress factors, host yeast strain, or stage of the growth phase. Our results indicate that the activities of all five terminator regions were twice that of PGK1t in all conditions tested. In addition, we demonstrated that the strong activity of these terminator regions could be used to improve secretory production of endoglucanase II derived from Tricoderma ressei, and that the DIT1t strain was the best of the five strains for this purpose. We therefore propose that DIT1t, and the four other terminator regions, could be applied to the development of improved metabolically engineered yeasts. Copyright © 2013 Elsevier B.V. All rights reserved.

The Development of III-V Semiconductor MOSFETs for Future CMOS Applications

NASA Astrophysics Data System (ADS)

Greene, Andrew M.

Alternative channel materials with superior transport properties over conventional strained silicon are required for supply voltage scaling in low power complementary metal-oxide-semiconductor (CMOS) integrated circuits. Group III-V compound semiconductor systems offer a potential solution due to their high carrier mobility, low carrier effective mass and large injection velocity. The enhancement in transistor drive current at a lower overdrive voltage allows for the scaling of supply voltage while maintaining high switching performance. This thesis focuses on overcoming several material and processing challenges associated with III-V semiconductor development including a low thermal processing budget, high interface trap state density (Dit), low resistance source/drain contacts and growth on lattice mismatched substrates. Non-planar In0.53Ga0.47As FinFETs were developed using both "gate-first" and "gate-last" fabrication methods for n-channel MOSFETs. Electron beam lithography and anisotropic plasma etching processes were optimized to create highly scaled fins with near vertical sidewalls. Plasma damage was removed using a wet etch process and improvements in gate efficiency were characterized on MOS capacitor structures. A two-step, selective removal of the pre-grown n+ contact layer was developed for "gate-last" recess etching. The final In0.53Ga 0.47As FinFET devices demonstrated an ION = 70 mA/mm, I ON/IOFF ratio = 15,700 and sub-threshold swing = 210 mV/dec. Bulk GaSb and strained In0.36Ga0.64Sb quantum well (QW) heterostructures were developed for p-channel MOSFETs. Dit was reduced to 2 - 3 x 1012 cm-2eV-1 using an InAs surface layer, (NH4)2S passivation and atomic layer deposition (ALD) of Al2O3. A self-aligned "gate-first" In0.36Ga0.64Sb MOSFET fabrication process was invented using a "T-shaped" electron beam resist patterning stack and intermetallic source/drain contacts. Ni contacts annealed at 300°C demonstrated an ION = 166 mA/mm, ION/IOFF ratio = 1,500 and sub-threshold swing = 340 mV/dec. Split C-V measurements were used to extract an effective channel mobility of muh* = 300 cm2/Vs at Ns = 2 x 1012 cm -2. "Gate-last" MOSFETs grown with an epitaxial p + contact layer were fabricated using selective gate-recess etching techniques. A parasitic "n-channel" limited ION/I OFF ratio and sub-threshold swing, most likely due to effects from the InAs surface layer.

Consequences of C4 differentiation for chloroplast membrane proteomes in maize mesophyll and bundle sheath cells.

PubMed

Majeran, Wojciech; Zybailov, Boris; Ytterberg, A Jimmy; Dunsmore, Jason; Sun, Qi; van Wijk, Klaas J

2008-09-01

Chloroplasts of maize leaves differentiate into specific bundle sheath (BS) and mesophyll (M) types to accommodate C(4) photosynthesis. Chloroplasts contain thylakoid and envelope membranes that contain the photosynthetic machineries and transporters but also proteins involved in e.g. protein homeostasis. These chloroplast membranes must be specialized within each cell type to accommodate C(4) photosynthesis and regulate metabolic fluxes and activities. This quantitative study determined the differentiated state of BS and M chloroplast thylakoid and envelope membrane proteomes and their oligomeric states using innovative gel-based and mass spectrometry-based protein quantifications. This included native gels, iTRAQ, and label-free quantification using an LTQ-Orbitrap. Subunits of Photosystems I and II, the cytochrome b(6)f, and ATP synthase complexes showed average BS/M accumulation ratios of 1.6, 0.45, 1.0, and 1.33, respectively, whereas ratios for the light-harvesting complex I and II families were 1.72 and 0.68, respectively. A 1000-kDa BS-specific NAD(P)H dehydrogenase complex with associated proteins of unknown function containing more than 15 proteins was observed; we speculate that this novel complex possibly functions in inorganic carbon concentration when carboxylation rates by ribulose-bisphosphate carboxylase/oxygenase are lower than decarboxylation rates by malic enzyme. Differential accumulation of thylakoid proteases (Egy and DegP), state transition kinases (STN7,8), and Photosystem I and II assembly factors was observed, suggesting that cell-specific photosynthetic electron transport depends on post-translational regulatory mechanisms. BS/M ratios for inner envelope transporters phosphoenolpyruvate/P(i) translocator, Dit1, Dit2, and Mex1 were determined and reflect metabolic fluxes in carbon metabolism. A wide variety of hundreds of other proteins showed differential BS/M accumulation. Mass spectral information and functional annotations are available through the Plant Proteome Database. These data are integrated with previous data, resulting in a model for C(4) photosynthesis, thereby providing new rationales for metabolic engineering of C(4) pathways and targeted analysis of genetic networks that coordinate C(4) differentiation.

Effects of nitrogen incorporation in HfO(2) grown on InP by atomic layer deposition: an evolution in structural, chemical, and electrical characteristics.

PubMed

Kang, Yu-Seon; Kim, Dae-Kyoung; Kang, Hang-Kyu; Jeong, Kwang-Sik; Cho, Mann-Ho; Ko, Dae-Hong; Kim, Hyoungsub; Seo, Jung-Hye; Kim, Dong-Chan

2014-03-26

We investigated the effects of postnitridation on the structural characteristics and interfacial reactions of HfO2 thin films grown on InP by atomic layer deposition (ALD) as a function of film thickness. By postdeposition annealing under NH3 vapor (PDN) at 600 °C, an InN layer formed at the HfO2/InP interface, and ionized NHx was incorporated in the HfO2 film. We demonstrate that structural changes resulting from nitridation of HfO2/InP depend on the film thickness (i.e., a single-crystal interfacial layer of h-InN formed at thin (2 nm) HfO2/InP interfaces, whereas an amorphous InN layer formed at thick (>6 nm) HfO2/InP interfaces). Consequently, the tetragonal structure of HfO2 transformed into a mixture structure of tetragonal and monoclinic because the interfacial InN layer relieved interfacial strain between HfO2 and InP. During postdeposition annealing (PDA) in HfO2/InP at 600 °C, large numbers of oxidation states were generated as a result of interfacial reactions between interdiffused oxygen impurities and out-diffused InP substrate elements. However, in the case of the PDN of HfO2/InP structures at 600 °C, nitrogen incorporation in the HfO2 film effectively blocked the out-diffusion of atomic In and P, thus suppressing the formation of oxidation states. Accordingly, the number of interfacial defect states (Dit) within the band gap of InP was significantly reduced, which was also supported by DFT calculations. Interfacial InN in HfO2/InP increased the electron-barrier height to ∼0.6 eV, which led to low-leakage-current density in the gate voltage region over 2 V.

Insights From the Defining Issues Test on Moral Reasoning Competencies Development in Community Pharmacists.

PubMed

Roche, Cicely; Thoma, Steve

2017-10-01

Objective. To investigate whether a profession-specific educational intervention affected the development of moral reasoning competencies in community pharmacists, as measured by the Defining Issues Test (DIT2). Methods. This research used a repeated measures pre-post educational intervention design as a quasi-randomized, controlled, crossover study to evaluate changes in the moral reasoning scores of 27 volunteer community pharmacists in Ireland. Results. Changes in pharmacists' moral reasoning competencies development, as reported by P-Scores and N2-Scores, were found to be significant. In addition, interaction effects were observed between developmental scores on the DIT2 and whether participants were determined to be consolidated in their reasoning pre- and post-engagement with the educational intervention. Conclusion. Short profession-specific educational interventions have the potential to positively affect the development of moral reasoning competencies of community pharmacists.

Vous avez dit "immersion?" (You Said "Immersion?").

ERIC Educational Resources Information Center

Gajo, Laurent, Ed.

1998-01-01

Articles on immersion and bilingual education include these: "Terminological Considerations Regarding Content and Language Integrated Learning" (Tarja Nikula, David Marsh); "Educazione bilingue e multiculturale, istruzione bilingue, immersione totale: quattro nozioni da definire" ("Bilingual and Multicultural Education,…

GraDit: graph-based data repair algorithm for multiple data edits rule violations

NASA Astrophysics Data System (ADS)

Ode Zuhayeni Madjida, Wa; Gusti Bagus Baskara Nugraha, I.

2018-03-01

Constraint-based data cleaning captures data violation to a set of rule called data quality rules. The rules consist of integrity constraint and data edits. Structurally, they are similar, where the rule contain left hand side and right hand side. Previous research proposed a data repair algorithm for integrity constraint violation. The algorithm uses undirected hypergraph as rule violation representation. Nevertheless, this algorithm can not be applied for data edits because of different rule characteristics. This study proposed GraDit, a repair algorithm for data edits rule. First, we use bipartite-directed hypergraph as model representation of overall defined rules. These representation is used for getting interaction between violation rules and clean rules. On the other hand, we proposed undirected graph as violation representation. Our experimental study showed that algorithm with undirected graph as violation representation model gave better data quality than algorithm with undirected hypergraph as representation model.

The effect of psychological stress on diet-induced thermogenesis and resting metabolic rate.

PubMed

Weststrate, J A; Van der Kooy, K; Deurenberg, P; Hautvast, J G

1990-04-01

The effect of psychological stress on resting metabolic rate (RMR) and diet-induced thermogenesis (DIT) was assessed in 12 healthy young non-obese men of body weight 70.2 +/- 1.2 kg (mean +/- s.e.m.) and age 25 +/- 0.6 years. Two types of commercially available motion pictures (video films) were shown to the subjects during the measurements, ie stress-inducing horror films and as a control, romantic family films. The study was conducted according to a cross-over design. RMR and respiratory quotients were not significantly influenced by the type of film shown to the subjects. DIT, assessed over 4 h, was significantly increased by the stress-inducing treatment, 0.95 +/- 0.05 kJ/min (mean +/- s.e.m.) versus 0.76 +/- 0.06 kJ/min (control). No significant effect was observed of psychological stress on postprandial substrate oxidation rates, nutrient balances, and urinary catecholamine excretion.

An automated DICOM database capable of arbitrary data mining (including radiation dose indicators) for quality monitoring.

PubMed

Wang, Shanshan; Pavlicek, William; Roberts, Catherine C; Langer, Steve G; Zhang, Muhong; Hu, Mengqi; Morin, Richard L; Schueler, Beth A; Wellnitz, Clinton V; Wu, Teresa

2011-04-01

The U.S. National Press has brought to full public discussion concerns regarding the use of medical radiation, specifically x-ray computed tomography (CT), in diagnosis. A need exists for developing methods whereby assurance is given that all diagnostic medical radiation use is properly prescribed, and all patients' radiation exposure is monitored. The "DICOM Index Tracker©" (DIT) transparently captures desired digital imaging and communications in medicine (DICOM) tags from CT, nuclear imaging equipment, and other DICOM devices across an enterprise. Its initial use is recording, monitoring, and providing automatic alerts to medical professionals of excursions beyond internally determined trigger action levels of radiation. A flexible knowledge base, aware of equipment in use, enables automatic alerts to system administrators of newly identified equipment models or software versions so that DIT can be adapted to the new equipment or software. A dosimetry module accepts mammography breast organ dose, skin air kerma values from XA modalities, exposure indices from computed radiography, etc. upon receipt. The American Association of Physicists in Medicine recommended a methodology for effective dose calculations which are performed with CT units having DICOM structured dose reports. Web interface reporting is provided for accessing the database in real-time. DIT is DICOM-compliant and, thus, is standardized for international comparisons. Automatic alerts currently in use include: email, cell phone text message, and internal pager text messaging. This system extends the utility of DICOM for standardizing the capturing and computing of radiation dose as well as other quality measures.

Sensitivity and specificity of the Distress Impact Thermometer for the detection of psychological distress among CRC survivors.

PubMed

Craike, Melinda J; Livingston, Patricia M; Warne, Charles

2011-01-01

This study assessed the relative screening performance of the Distress Impact Thermometer (DIT) and cutoff levels with the established clinical case threshold of the Hospital Anxiety and Depression Scale (HADS) among a sample of colorectal cancer (CRC) survivors. Fifty-nine CRC survivors completed the DIT, HADS, and provided demographic information at baseline, and 45 of these patients completed the same measures at follow-up, giving a total of 104 participant data. Receiver operating characteristic (ROC) analysis was performed to determine the accuracy of the DIT compared to the HADS, with a cutoff score ≥8 on each HADS subscale (depression and anxiety) and ≥15 on the HADS total scale used to identify patients with psychological distress. The sample comprised slightly more males (63%) than females, with an average age of 59 years (SD = 9.53) and ranging from 33 to 77 years. The optimum DT cutoff score of ≥5 yielded a sensitivity of 60% and specificity of 86.1%; the area under the curve was 0.771 (95% confidence interval [CI] [0.646, 0.896]). For the depression subscale, the DT performed better on specificity than sensitivity, however the opposite was true for the anxiety subscale. The addition of an impact thermometer did not enhance screening performance. The results of this study provide support for a DT score of ≥5 for detecting psychological distress among CRC survivors and do not support the addition of an impact thermometer. The use of the DT might underestimate depression but overestimate anxiety.

Off-line wafer level reliability control: unique measurement method to monitor the lifetime indicator of gate oxide validated within bipolar/CMOS/DMOS technology

NASA Astrophysics Data System (ADS)

Gagnard, Xavier; Bonnaud, Olivier

2000-08-01

We have recently published a paper on a new rapid method for the determination of the lifetime of the gate oxide involved in a Bipolar/CMOS/DMOS technology (BCD). Because this previous method was based on a current measurement with gate voltage as a parameter needing several stress voltages, it was applied only by lot sampling. Thus, we tried to find an indicator in order to monitor the gate oxide lifetime during the wafer level parametric test and involving only one measurement of the device on each wafer test cell. Using the Weibull law and Crook model, combined with our recent model, we have developed a new test method needing only one electrical measurement of MOS capacitor to monitor the quality of the gate oxide. Based also on a current measurement, the parameter is the lifetime indicator of the gate oxide. From the analysis of several wafers, we gave evidence of the possibility to detect a low performance wafer, which corresponds to the infantile failure on the Weibull plot. In order to insert this new method in the BCD parametric program, a parametric flowchart was established. This type of measurement is an important challenges, because the actual measurements, breakdown charge, Qbd, and breakdown electric field, Ebd, at parametric level and Ebd and interface states density, Dit during the process cannot guarantee the gate oxide lifetime all along fabrication process. This indicator measurement is the only one, which predicts the lifetime decrease.

Comprehensive capacitance-voltage analysis including quantum effects for high-k interfaces on germanium and other alternative channel materials

NASA Astrophysics Data System (ADS)

Anwar, Sarkar R. M.

High mobility alternative channel materials to silicon are critical to the continued scaling of metal oxide semiconductor (MOS) devices. However, before they can be incorporated into advanced devices, some major issues need to be solved. The high mobility materials suffer from lower allowable thermal budgets compared to Si (before desorption and defect formation becomes an issue) and the absence of a good quality native oxide has further increased the interest in the use of high-k dielectrics. However, the high interface state density and high electric fields at these semiconductor/high-k interfaces can significantly impact the capacitance-voltage (C-V) profile, and current C-V modeling software cannot account for these effects. This in turn affects the parameters extracted from the C-V data of the high mobility semiconductor/high-k interface, which are crucial to fully understand the interface properties and expedite process development. To address this issue, we developed a model which takes into account quantum corrections which can be applied to a number of these alternative channel materials including SixGe1-x, Ge, InGaAs, and GaAs. The C-V simulation using this QM correction model is orders of magnitude faster compared to a full band Schrodinger-Poisson solver. The simulated C-V is directly benchmarked to a self consistent Schrodinger-Poisson solution for each bulk semiconductor material, and from the benchmarking process the QM correction parameters are extracted. The full program, C-V Alternative Channel Extraction (CV ACE), incorporates a quantum mechanical correction model, along with the interface state density model, and can extract device parameters such as equivalent oxide thickness (EOT), doping density and flat band voltage (Vfb) as well as the interface state density profile using multiple measurements performed at different frequencies and temperatures, simultaneously. The program was used to analyze experimentally measured C-V profiles and the extracted device parameters show excellent agreement with the known device structure and previously published results. CV ACE has been applied in the development of a process flow for germanium interface passivation in Ge based MOS devices using a GeOx interlayer. A post atomic layer deposition (ALD) plasma oxidation (PPO) process was developed using radio frequency (RF) plasma in a plasma enhanced chemical vapor deposition (PECVD) chamber and demonstrated significant surface passivation. Various gases were investigated and 1% O2/Ar was found to reduce the growth rate and provide excellent control over the degradation of EOT. A 100 W plasma with 1% O2/Ar was found to provide the best combination of EOT and low Dit and is concluded to be the optimum process for PPO of germanium surfaces. CV ACE and PPO were also utilized to investigate other process development challenges. A study of the impact of low temperature anneals on Ge-based MOS devices was found to result in a degradation of the electrical thickness and a change in fixed charge, indicating that the process window is very narrow and at much lower temperatures than for Si.

Electrical Characterization of Semiconductor and Dielectric Materials with a Non-Damaging FastGateTM Probe

NASA Astrophysics Data System (ADS)

Robert, Hillard; William, Howland; Bryan, Snyder

2002-03-01

Determination of the electrical properties of semiconductor materials and dielectrics is highly desirable since these correlate best to final device performance. The properties of SiO2 and high k dielectrics such as Equivalent Oxide Thickness(EOT), Interface Trap Density(Dit), Oxide Effective Charge(Neff), Flatband Voltage Hysteresis(Delta Vfb), Threshold Voltage(VT) and, bulk properties such as carrier density profile and channel dose are all important parameters that require monitoring during front end processing. Conventional methods for determining these parameters involve the manufacturing of polysilicon or metal gate MOS capacitors and subsequent measurements of capacitance-voltage(CV) and/or current-voltage(IV). These conventional techniques are time consuming and can introduce changes to the materials being monitored. Also, equivalent circuit effects resulting from excessive leakage current, series resistance and stray inductance can introduce large errors in the measured results. In this paper, a new method is discussed that provides rapid determination of these critical parameters and is robust against equivalent circuit errors. This technique uses a small diameter(30 micron), elastically deformed probe to form a gate for MOSCAP CV and IV and can be used to measure either monitor wafers or test areas within scribe lines on product wafers. It allows for measurements of dielectrics thinner than 10 Angstroms. A detailed description and applications such as high k dielectrics, will be presented.

Eating carbohydrate mostly at lunch and protein mostly at dinner within a covert hypocaloric diet influences morning glucose homeostasis in overweight/obese men.

PubMed

Alves, Raquel Duarte Moreira; de Oliveira, Fernanda Cristina Esteves; Hermsdorff, Helen Hermana Miranda; Abete, Itziar; Zulet, María Angeles; Martínez, José Alfredo; Bressan, Josefina

2014-02-01

To evaluate the effects of two dietary patterns in which carbohydrates and proteins were eaten mostly at lunch or dinner on body weight and composition, energy metabolism, and biochemical markers in overweight/obese men. Fifty-eight men (30.0 ± 7.4 years; 30.8 ± 2.4 kg/m(2)) followed a covert hypocaloric balanced diet (-10 % of daily energy requirements) during 8 weeks. Subjects were randomly assigned to three groups: control diet (CT); diurnal carbohydrate/nocturnal protein (DCNP); and nocturnal carbohydrate/diurnal protein (NCDP). Main analyzed outcomes were weight loss, body composition, diet-induced thermogenesis (DIT), and glucose/lipid profile. In all groups, a significant decrease in body weight, BMI, and fat mass (kg and %) was verified, without differences between groups. Interestingly, within group analyses showed that the fat-free mass (kg) significantly decreased in NCDP and in CT after 8-week intervention, but not in DCNP. A detrimental increase in fasting glucose, insulin, and homeostasis model assessment of insulin resistance (HOMAIR) was verified only in DCNP, while NCDP and CT groups presented a non-significant reduction. Moreover, significant differences between DCNP and the other groups were detected for fasting insulin and HOMAIR. After the adjustments, NCDP presented a significantly higher DIT and energy expenditure after lunch, compared with DCNP, but after dinner, there were no differences among groups. Eating carbohydrates mostly at dinner and protein mostly at lunch within a hypocaloric balanced diet had similar effect on body composition and biochemical markers, but higher effect on DIT compared with control diet. Moreover, eating carbohydrates mostly at lunch and protein mostly at dinner had a deleterious impact on glucose homeostasis.

WHAT'S SO SPECIAL ABOUT THE DEVELOPING IMMUNE SYSTEM? (Journal Article)

EPA Science Inventory

The evolution of the subdiscipline of developmental immunotoxicology (DIT) as it exists today has been shaped by significant regulatory pressures as well as key scientific advances. This review considers the role played by legislation to protect children’s health, and on the eme...

A Mixed-Methods Analysis in Assessing Students' Professional Development by Applying an Assessment for Learning Approach.

PubMed

Peeters, Michael J; Vaidya, Varun A

2016-06-25

Objective. To describe an approach for assessing the Accreditation Council for Pharmacy Education's (ACPE) doctor of pharmacy (PharmD) Standard 4.4, which focuses on students' professional development. Methods. This investigation used mixed methods with triangulation of qualitative and quantitative data to assess professional development. Qualitative data came from an electronic developmental portfolio of professionalism and ethics, completed by PharmD students during their didactic studies. Quantitative confirmation came from the Defining Issues Test (DIT)-an assessment of pharmacists' professional development. Results. Qualitatively, students' development reflections described growth through this course series. Quantitatively, the 2015 PharmD class's DIT N2-scores illustrated positive development overall; the lower 50% had a large initial improvement compared to the upper 50%. Subsequently, the 2016 PharmD class confirmed these average initial improvements of students and also showed further substantial development among students thereafter. Conclusion. Applying an assessment for learning approach, triangulation of qualitative and quantitative assessments confirmed that PharmD students developed professionally during this course series.

Pyridinium ionic liquid-based liquid-solid extraction of inorganic and organic iodine from Laminaria.

PubMed

Peng, Li-Qing; Yu, Wen-Yan; Xu, Jing-Jing; Cao, Jun

2018-01-15

A simple, green and effective extraction method, namely, pyridinium ionic liquid- (IL) based liquid-solid extraction (LSE), was first designed to extract the main inorganic and organic iodine compounds (I - , monoiodo-tyrosine (MIT) and diiodo-tyrosine (DIT)). The optimal extraction conditions were as follows: ultrasonic intensity 100W, IL ([EPy]Br) concentration 200mM, extraction time 30min, liquid/solid ratio 10mL/g, and pH value 6.5. The morphologies of Laminaria were studied by scanning electron microscopy and transmission electron microscopy. The recovery values of I - , MIT and DIT from Laminaria were in the range of 88% to 94%, and limits of detection were in the range of 59.40 to 283.6ng/g. The proposed method was applied to the extraction and determination of iodine compounds in three Laminaria. The results showed that IL-based LSE could be a promising method for rapid extraction of bioactive iodine from complex food matrices. Copyright © 2017 Elsevier Ltd. All rights reserved.

Safe working hours--doctors in training a best practice issue.

PubMed

Lewis, Andrew

2002-01-01

In 1995, the Australian Medical Association launched its Safe Working Hours campaign. By 1998, this had been developed into a National Code of Conduct that continues to resonate in the Australian public health system. However, and particularly in respect of Doctors in Training (DITs) who continue to work long hours, there are levels of resistance to proposals that seek to re-organise work or change prevailing professional and cultural expectations. Long working hours have substantial impacts on a DIT's capacity to consistently deliver high quality patient care, dilute the effectiveness of their training regime and have negative consequences on their health, social life and family responsibilities. While public hospitals often maintain the view that minimal budget flexibility restricts their capacity to affect change in a positive way, in fact devisable productivity and efficiency gains can be achieved by reducing working hours. Further, the medical profession needs to consider whether long hours provide an optimal environment for quality learning and performance.

Goethe's Faust Revisited: Lessons from DIT Research.

ERIC Educational Resources Information Center

Nucci, Larry

2002-01-01

Discusses the Defining Issues Test as an invaluable tool for research and practice in moral education. Explains that because such instruments are based upon previous developmental research, they are unsuitable for research on moral development. Argues that these measures stand in the way of generating new knowledge. (CAJ)

Changing Moral Judgement in Divinity Students

ERIC Educational Resources Information Center

Bunch, Wilton H.

2005-01-01

Gains in moral judgement, as measured by the Defining Issues Test (DIT), correlate strongly with advancing education. Curricula that are strongly biblically based may not promote, and students with a strong fundamentalist orientation may not demonstrate, such moral growth. Students at an interdenominational, but very conservative seminary,…

Scatterometry

NASA Astrophysics Data System (ADS)

Stoffelen, Adrianus Cornelis Maria

1996-10-01

Een veelheid aan meteorologische metingen is dagelijks beschikbaar. De meeste van deze waarnemingen bevinden zich echter boven land, en met name windwaarnemingen boven de (Noord Atlantische) oceaan zijn schaars. Bij een westelijke luchtstroming is dit een duidelijke beperking voor de weers- en golfverwachtingen ten behoeve van Nederland. Juist dan is het gevaar voor bijvoorbeeld storm of overstroming het grootst. Ook in het aardse klimaatsysteem speelt de wind aan het oppervlak een grote rol en is de belangrijkste factor voor de aandrijving van de oceaancirculatie. De oceaancirculatie op zijn beurt is cruciaal voor de verschijnselen die samenhangen met bijvoorbeeld El Niño. Dit proefschift gaat over het scatterometer instrument dat vanuit de ruimte, zelfs onder een wolkendek, nauwkeurige en betrouwbare informatie geeft over de wind aan het oceaanoppervlak met een hoge mate van ruimtelijke consistentie. Tijdens de tweede wereldoorlog werden radars aan boord van schepen veelvuldig gebruikt voor de opsporing van vijandige vaartuigen. Hierbij werd vastgesteld dat de detectie slechter werd naarmate de wind aan het zeeoppervlak groter was. Proefondervindelijk was hiermee het principe van een wind scatterometer aangetoond. Al snel ontwikkelde zich dan ook de idee de wind aan het zeeoppervlak te meten met behulp van radar. Vanuit een vliegtuig of een satelliet word dan een microgolfbundel onder een schuine hoek naar het zeeoppervlak gestuurd. De microgolfstraling, met gewoonlijk een golflengte van enkele centimeters, wordt verstrooid aan het ruwe oppervlak, en een klein gedeelte van de uitgezonden puls keert terug naar het detectorgedeelte van de scatterometer. Het fysische fenomeen van belang voor de werking van de scatterometer is de aanwezigheid van zogeheten capillaire gavitatiegolven op het zeeoppervlak. Deze golven hebben een golflengte van enkele centimeters en reageren vrijwel instantaan op de sterkte van de wind. De verstrooiing van microgolven is op zijn beurt weer sterk afhankelijk van de amplitude van de capillaire golven. Bovendien blijken de capillaire golfjes over het algemeen gericht in lijn met de windrichting. Aldus bestaat er een verband tussen de hoeveelheid teruggestrooide energie en de windsterkte en -richting op enige hoogte. Een scatterometer instrument wordt zo ontworpen dat uit diverse metingen van het teruggestrooide vermogen, windsterkte en -richting afgeleid kunnen worden. Deze metingen kunnen dan eenvoudig vergeleken worden met bestaande windgegevens van boeien, schepen en weermodellen ter calibratie en validatie.?SAMENVATTING viii Overzicht In de loop der jaren zijn scatterometer instrumenten aan boord van verscheidene satellieten gelanceerd. De scatterometers op de ERS-1 en ERS-2 ("European Remote-sensing Satellite") hebben de langste staat van dienst en zijn sinds 1991 operationeel. Deze scatterometers (die identiek zijn) hebben ieder drie antennes, waarmee het oceaanoppervlak in drie verschillende richtingen bemeten wordt. Een punt op het aardoppervlak wordt eerst door de naar voren gerichte bundel belicht, dan door de naar opzij gerichte bundel, en als laatste door de naar achteren gerichte bundel. De drie metingen, verder kortweg aangeduid als trits, kunnen tegen elkaar worden uitgezet, hetgeen resulteert in een ruimtelijk (3D) plaatje. Door uitgekiende doorsneden te maken van deze ruimte kan de samenhang van de drie metingen kwalitatief worden bestudeerd. De drie metingen blijken dan inderdaad een sterke samenhang te vertonen die verklaard kan worden uit twee geofysische parameters. De drie metingen liggen namelijk in het algemeen dichtbij een hoornvormig (2D) oppervlak. De lengterichting van de hoorn blijkt voornamelijk te corresponderen met een variërende windsterkte (of ruwheid van de zee), en de kortste omtrek van de hoorn met een variërende windrichting (ofwel oriëntatie van de capillaire golfjes). De karakterisatie en modellering van dit oppervlak heeft geleid tot een aanzienlijke verbetering in de interpretatie van de scatterometer, zoals beschreven is in dit proefschrift. Hierboven is een uiterst simplistisch beeld gegeven van de fysica die van belang is bij de interpretatie van de scatterometer. Het eerste hoofdstuk van dit proefschrift beschrijft in meer detail de fysische modellering van belang bij de interpretatie van de scatterometer metingen. Ten eerste, de topografie van het zeeoppervlak is uitermate gecompliceerd en niet nauwkeurig te beschrijven met eenvoudige mathematische vergelijkingen. De capillaire golven hebben een andere fasesnelheid dan de langere golven en beide hebben hiermee een ingewikkelde dynamische interactie. Bij hogere windsnelheid breken de golven en ontstaan er schuimkoppen, hetgeen de fysische beschrijving verder compliceert. Ten tweede, de interactie van een schuin invallende microgolfbundel met dit gecompliceerde oppervlak is evenmin nauwkeurig te beschrijven. Zowel verstrooiing als reflectie kunnen een rol spelen. Ten derde, over de relatie tussen de amplitude van de capillaire golven en de wind op enige hoogte, laten we veronderstellen 10 m, is in de literatuur niet de overeenstemming tot in het gewenste detail. Bij lage windsnelheid zouden de oppervlaktespanning of variaties in de wind variabiliteit een rol kunnen spelen. Gezien de fysische complexiteit, is het niet verwonderlijk dat voor de interpretatie van scatterometer metingen statistische methoden hun opgang gevonden hebben. Dit proefschrift gaat met name in op deze methoden, en geeft, aan de hand van vijf wetenschappelijke publicaties, een tamelijk volledig beeld van de "state-of-the-art", zoals die bereikt is met de?SAMENVATTING ix ERS scatterometers (ERS-1 vanaf 17 juli 1991 en later ERS-2 vanaf 22 november 1995). Het derde hoofdstuk behandelt de visualisatie van de gemeten tritsen in de 3D meetruimte, de bepaling van de spreiding van de metingen rond het hoornvormige oppervlak, en de schatting van de meest waarschijnlijke "werkelijke" (of ruisvrije) trits bij het hoornvormige oppervlak gegeven de metingen en hun nauwkeurigheid (inversie). De perceptie dat de metingen met grote waarschijnlijkheid dichtbij een hoornvormig oppervlak liggen, vormt essentiële a priori informatie van belang voor de inversie. Een inversieprocedure gestoeld op waarschijnlijkheidstheorie is afgeleid. Verder worden aan de hand van de structuur van het hoornvormige oppervlak indicatoren bepaald, van belang voor de kwaliteitscontrole, instrumentbewaking, en de verdere verwerking van de gegevens. In de appendix wordt een methode besproken die beschrijft hoe, aan de hand van geselecteerde windgegevens en een goed wind-microgolf verband, ofwel transfer functie, de scatterometer verstrooiingsmetingen gecalibreerd kunnen worden boven de oceaan. Het blijkt dat deze calibratie, die per antenne wordt uitgevoerd, uiterst nauwkeurig is, en, wanneer toegepast, in de 3D meetruimte de verdeling van gemeten tritsen gemiddeld dichterbij de door de transfer functie gemodelleerde hoorn brengt. Dit levert een verbetert scatterometer wind product op. De methode was met name van groot belang voor de validatie en calibratie van de ERS-2 scatterometer, voordat de instrumentele calibratie was voltooid. Met behulp van een set windgegevens uit een weermodel en hun geschatte nauwkeurigheden, passend in locatie en tijd bij een set van scatterometer metingen en hun geschatte nauwkeurigheden, kan met quasi-lineaire schattingstheorie ("Maximum Likelihood Estimation") de meest waarschijnlijke wind-microgolf transfer functie worden afgeleid. De niet-lineariteit en onnauwkeurige formulering van de transfer functie, een niet-uniforme verdeling van invoergegevens, en een inaccurate formulering van de geschatte nauwkeurigheid kunnen hier een goed resultaat in de weg staan. Een nieuwe functie, genoemd CMOD4, wordt afgeleid in hoofdstuk IV. Een eerste eis die gesteld wordt aan een transfer functie, is dat het in de 3D meetruimte nauwkeurig bij de gemeten tritsen past. Wanneer de "fit" optimaal is zal het gecombineerde effect van meetonnauwkeurigheid en inversiefout kleiner zijn dan 0.5 m s -1 in de wind vector. CMOD4 blijkt binnen deze fout bij de metingen te passen. Een tweede eis is, dat voor een onafhankelijke gegevensset, het verschil tussen de geïnverteerde scatterometer wind en de bijpassende wind van bijvoorbeeld een weermodel zo klein mogelijk is. In de praktijk blijkt dat deze tweede eis impliciet volgt uit de eerste, maar ook dat de onnauwkeurigheid van de scatterometer wind met name wordt bepaald door de associatie van een locatie op de hoorn met een wind vector. De onnauwkeurigheid in de scatterometer wind kan dan ook goed beschreven worden in het wind domein.?SAMENVATTING x In hoofdstuk V wordt dit laatste verder uitgewerkt, en wordt gestreefd naar een gedetailleerde wind calibratie met behulp van in situ gegevens. Windgegevens bevatten doorgaans een relatief grote onnauwkeurigheid. Het wordt aangetoond dat ijking of regressie van zulke gegevens niet mogelijk is in een vergelijking van twee meetsystemen, tenzij de nauwkeurigheid van één van de twee meetsystemen bekend is. In de praktijk is dit meestal niet zo. Voor deze gevallen wordt een methode voorgesteld die uitgaat van de simultane vergelijking van drie meetsystemen. In dit geval kan zowel de ijking als een foutenmodel voor de drie meetsystemen worden opgelost. Toepassing van de methode laat zien dat de scatterometer wind afgeleid met behulp van CMOD4 ruwweg 5 % te laag is, en de oppervlaktewind van het gebruikte weermodel ongeveer 5 % te hoog. Het hoornvormige oppervlak blijkt te bestaan uit twee nauw samenvallende laagjes. Wanneer de wind een component heeft in de kijkrichting van de middelste microgolfbundel wordt de ene hoorn beschreven, en wanneer de wind een component heeft tegengesteld hieraan, de andere. Uit een trits metingen (met ruis) kan dus in het algemeen niet een unieke windvector worden bepaald. Twee ongeveer tegengestelde oplossingen resulteren. Deze dubbelzinnigheid in de windrichting kan in de praktijk worden opgelost door die oplossing te kiezen die het dichtst bij een korte termijn weervoorspelling ligt. Daarna kunnen eisen worden gesteld aan de ruimtelijke consistentie van het gevonden windvector veld. Zoals beschreven in hoofdstuk V levert zo'n methode de goede oplossing in meer dan 99 % van de gevallen. Zo kan een in het algemeen kwalitatief goed windproduct worden afgeleid uit de ERS scatterometermetingen. In het tweede gedeelte van hoofdstuk V wordt ingegaan op de assimilatie van scatterometergegevens in weermodellen. Voor variationele gegevensassimilatie wordt een methode voorgesteld, waarbij de dubbelzinnige scatterometerwinden worden geassimileerd, en niet direct de terugstrooiingsmetingen. Dit vanwege het feit dat de onzekerheid in de interpretatie van de scatterometer, het best is uit te drukken als een fout in de wind. De projectie van deze fout op de microgolfmetingen is niet-lineair, en daarmee tamelijk moeilijk te verwerken binnen de context van meteorologische variationele gegevensassimilatie. Assimilatie van de dubbelzinnige wind daarentegen is tamelijk recht toe recht aan. De scatterometermetingen leiden tot een duidelijk betere analyse en korte-termijn voorspelling van het windveld boven zee. De bedekking is echter zodanig dat andere windwaarnemingen nog lang een zeer welkome aanvulling zullen zijn. Nieuwe Amerikaanse scatterometers met een grotere bedekking zijn in ontwikkeling (met name QuikSCAT en SeaWinds). Vanwege hun andere geometrie en golflengte is echter eerst ontwikkelwerk nodig om tot een gedegen interpretatie te komen. De in dit proefschrift beschreven methodologie kan een belangrijke rol spelen in de interpretatie van de gegevens van deze scatterometers. De volgende generatie Europese scatterometers (ASCAT genoemd) heeft een?SAMENVATTING xi grote bedekking en de microgolflengte en meetgeometrie van de ERS scatterometers. Hiermee zijn we op termijn verzekerd van een goed scatterometer wind product.?SAMENVATTING xii

Do Ethics Classes Teach Ethics?

ERIC Educational Resources Information Center

Curzer, Howard J.; Sattler, Sabrina; DuPree, Devin G.; Smith-Genthôs, K. Rachelle

2014-01-01

The ethics assessment industry is currently dominated by the second version of the Defining Issues Test (DIT2). In this article, we describe an alternative assessment instrument called the Sphere-Specific Moral Reasoning and Theory Survey (SMARTS), which measures the respondent's level of moral development in several respects. We describe eight…

Germanium MOS capacitors grown on Silicon using low temperature RF-PECVD

NASA Astrophysics Data System (ADS)

Dushaq, Ghada; Rasras, Mahmoud; Nayfeh, Ammar

2017-10-01

In this paper, Ge metal-oxide-semiconductor capacitors (MOSCAPs) are fabricated on Si using a low temperature two-step deposition technique by radio frequency plasma enhanced chemical vapor deposition. The MOSCAP gate stack consists of atomic layer deposition of Al2O3 as the gate oxide and a Ti/Al metal gate electrode. The electrical characteristics of 9 nm Al2O3/i-Ge/Si MOSCAPs exhibit an n-type (p-channel) behavior and normal high frequency C-V responses. In addition to CV measurements, the gate leakage versus the applied voltage is measured and discussed. Moreover, the electrical behavior is discussed in terms of the material and interface quality. The Ge/high-k interface trap density versus the surface potential is extracted using the most commonly used methods in detemining the interface traps based on the capacitance-voltage (C-V) curves. The discussion included the Dit calculation from the conductance method, the high-low frequency (Castagné-Vapaille) method, and the Terman (high-frequency) method. Furthermore, the origins of the discrepancies in the interface trap densities determined from the different methods are discussed. The study of the post annealed Ge layers at different temperatures in H2 and N2 gas ambient revealed an improved electrical and transport properties of the films treated at T  <  600 °C. Also, samples annealed at  <550 °C show the lowest threading dislocation density of ~1  ×  106 cm-2. The low temperature processing of Ge/Si demonstrates a great potential for p-channel transistor applications in a monolithically integrated CMOS platform.

Prediction of a multiple sclerosis diagnosis in patients with clinically isolated syndrome using the 2016 MAGNIMS and 2010 McDonald criteria: a retrospective study.

PubMed

Filippi, Massimo; Preziosa, Paolo; Meani, Alessandro; Ciccarelli, Olga; Mesaros, Sarlota; Rovira, Alex; Frederiksen, Jette; Enzinger, Christian; Barkhof, Frederik; Gasperini, Claudio; Brownlee, Wallace; Drulovic, Jelena; Montalban, Xavier; Cramer, Stig P; Pichler, Alexander; Hagens, Marloes; Ruggieri, Serena; Martinelli, Vittorio; Miszkiel, Katherine; Tintorè, Mar; Comi, Giancarlo; Dekker, Iris; Uitdehaag, Bernard; Dujmovic-Basuroski, Irena; Rocca, Maria A

2018-02-01

In 2016, the Magnetic Resonance Imaging in Multiple Sclerosis (MAGNIMS) network proposed modifications to the MRI criteria to define dissemination in space (DIS) and time (DIT) for the diagnosis of multiple sclerosis in patients with clinically isolated syndrome (CIS). Changes to the DIS definition included removal of the distinction between symptomatic and asymptomatic lesions, increasing the number of lesions needed to define periventricular involvement to three, combining cortical and juxtacortical lesions, and inclusion of optic nerve evaluation. For DIT, removal of the distinction between symptomatic and asymptomatic lesions was suggested. We compared the performance of the 2010 McDonald and 2016 MAGNIMS criteria for multiple sclerosis diagnosis in a large multicentre cohort of patients with CIS to provide evidence to guide revisions of multiple sclerosis diagnostic criteria. Brain and spinal cord MRI and optic nerve assessments from patients with typical CIS suggestive of multiple sclerosis done less than 3 months from clinical onset in eight European multiple sclerosis centres were included in this retrospective study. Eligible patients were 16-60 years, and had a first CIS suggestive of CNS demyelination and typical of relapsing-remitting multiple sclerosis, a complete neurological examination, a baseline brain and spinal cord MRI scan obtained less than 3 months from clinical onset, and a follow-up brain scan obtained less than 12 months from CIS onset. We recorded occurrence of a second clinical attack (clinically definite multiple sclerosis) at months 36 and 60. We evaluated MRI criteria performance for DIS, DIT, and DIS plus DIT with a time-dependent receiver operating characteristic curve analysis. Between June 16, 1995, and Jan 27, 2017, 571 patients with CIS were screened, of whom 368 met all study inclusion criteria. At the last evaluation (median 50·0 months [IQR 27·0-78·4]), 189 (51%) of 368 patients developed clinically definite multiple sclerosis. At 36 months, the two DIS criteria showed high sensitivity (2010 McDonald 0·91 [95% CI 0·85-0·94] and 2016 MAGNIMS 0·93 [0·88-0·96]), similar specificity (0·33 [0·25-0·42] and 0·32 [0·24-0·41]), and similar area under the curve values (AUC; 0·62 [0·57-0·67] and 0·63 [0·58-0·67]). Performance was not affected by inclusion of symptomatic lesions (sensitivity 0·92 [0·87-0·96], specificity 0·31 [0·23-0·40], AUC 0·62 [0·57-0·66]) or cortical lesions (sensitivity 0·92 [0·87-0·95], specificity 0·32 [0·24-0·41], AUC 0·62 [0·57-0·67]). Requirement of three periventricular lesions resulted in slightly lower sensitivity (0·85 [0·78-0·90], slightly higher specificity (0·40 [0·32-0·50], and similar AUC (0·63 [0·57-0·68]). Inclusion of optic nerve evaluation resulted in similar sensitivity (0·92 [0·87-0·96]), and slightly lower specificity (0·26 [0·18-0·34]) and AUC (0·59 [0·55-0·64]). AUC values were also similar for DIT (2010 McDonald 0·61 [0·55-0·67] and 2016 MAGNIMS 0·61 [0·55-0·66]) and DIS plus DIT (0·62 [0·56-0·67] and 0·64 [0·58-0·69]). The 2016 MAGNIMS criteria showed similar accuracy to the 2010 McDonald criteria in predicting the development of clinically definite multiple sclerosis. Inclusion of symptomatic lesions is expected to simplify the clinical use of MRI criteria without reducing accuracy, and our findings suggest that needing three lesions to define periventricular involvement might slightly increase specificity, suggesting that these two factors could be considered during further revisions of multiple sclerosis diagnostic criteria. UK MS Society, National Institute for Health Research University College London Hospitals Biomedical Research Centre, Dutch MS Research Foundation. Copyright © 2018 Elsevier Ltd. All rights reserved.

Four Terminal Gallium Nitride MOSFETs

NASA Astrophysics Data System (ADS)

Veety, Matthew Thomas

All reported gallium nitride (GaN) transistors to date have been three-terminal devices with source, drain, and gate electrodes. In the case of GaN MOSFETs, this leaves the bulk of the device at a floating potential which can impact device threshold voltage. In more traditional silicon-based MOSFET fabrication a bulk contact can be made on the back side of the silicon wafer. For GaN grown on sapphire substrates, however, this is not possible and an alternate, front-side bulk contact must be investigated. GaN is a III-V, wide band gap semiconductor that as promising material parameters for use in high frequency and high power applications. Possible applications are in the 1 to 10 GHz frequency band and power inverters for next generation grid solid state transformers and inverters. GaN has seen significant academic and commercial research for use in Heterojunction Field Effect Transistors (HFETs). These devices however are depletion-mode, meaning the device is considered "on" at zero gate bias. A MOSFET structure allows for enhancement mode operation, which is normally off. This mode is preferrable in high power applications as the device has lower off-state power consumption and is easier to implement in circuits. Proper surface passivation of seminconductor surface interface states is an important processing step for any device. Preliminary research on surface treatments using GaN wet etches and depletion-mode GaN devices utilizing this process are discussed. Devices pretreated with potassium pursulfate prior to gate dielectric deposition show significant device improvements. This process can be applied to any current GaN FET. Enhancement-mode GaN MOSFETs were fabricated on magnesium doped p-type Wurtzite gallium nitride grown by Metal Organic Chemical Vapor Deposition (MOCVD) on c-plane sapphire substrates. Devices utilized ion implant source and drain which was activated under NH3 overpressure in MOCVD. Also, devices were fabricated with a SiO2 gate dielectric and metal gate. Preliminary devices exhibited high GaN-oxide interface state density, Dit, on the order of 1013 cm-2· eV-1. Additional experiments and device fabrication was focused on improving device performance through optimization of the ion implantation activation anneal as well as incorporation of a bulk p-type ohmic contact and migration to a thicker, lower defect density, HVPE-grown template substrate. The first reported MOSFET on HVPE grown GaN substrates (templates) is reported with peak measured drain current of 1.05 mA/mm and a normalized transconductance of 57 muS/mm. Fabricated devices exhibited large (greater than 1 muA) source-to-drain junction leakage which is attributed to low activated doping density in the MOCVD-grown p-type bulk. MOSFETs fabricated on template substrates show more than twice the measured drain current as similar devices fabricated on traditional MOCVD GaN on sapphire substrates for the same bias conditions. Also, template MOSFETs have decreased gate leakage which allowed for a much greater range of operation. This performance increase is attributed to a more than doubled effective channel mobility on template GaN MOSFETs due to decreased crystal defect scattering when compared to a MOCVD-grown GaN-on-sapphire MOSFET. Fabricated MOSFETs also exhibit decreased interface state density with lower bound of 2.2x1011 cm-2·eV-1 when compared to prelimary MOSFETs. This decrease is associated with the use of a sacrificial oxide cap during source/drain activation. Suggested work for continued research is also presented which includes experiments to improve source/drain ion implantation profile, utilization of selective area growth for the active area, improved n- and p-type ohmic contact resistance and investigation of alternate oxides.

Devising and Implementing a Suitable Graduate Education Platform for Dublin's Institute of Technology (DIT)

ERIC Educational Resources Information Center

Carton, Janet; Jerrams, Steve

2008-01-01

Graduate education platforms have received general acclaim as key components in the future structural development of third-level and fourth-level education in Europe. In Ireland the Higher Education Authority (HEA) has endorsed the restructuring of postgraduate education to incorporate the training of research students in key generic and…

Moral Development and Social Worker Ethical Decision-Making

ERIC Educational Resources Information Center

Groessl, Joan

2013-01-01

This study examined both the moral development levels using the Defining Issues Test-2 (DIT--2) and ethical decision-making using the Professional Opinion Scale (POS) of social workers who provide field supervision to students within accredited social work programs in Wisconsin. Using the moral development theory of Kohlberg (1981) which defined…

WitnessMan: The Software Tool to Design, Analyse and Assess a Witness Pack with Respect to Military and Medical Effects on an (un)Protected (dis)Mounted Soldier

DTIC Science & Technology

2006-03-01

assessmentmodule stelt de gebruiker in staat een experimenteel hulpmiddel om tijdens vrij lastig is. Dit kan nadelige gevolgen ter plaatse de militaire en...design .................................................................................................................. 9 2.1 Step 1: design a... 11 3.1 Introductnion

VizieR Online Data Catalog: NGC 1893 optical and NIR photometry (Prisinzano+, 2011)

NASA Astrophysics Data System (ADS)

Prisinzano, L.; Sanz-Forcada, J.; Micela, G.; Caramazza, M.; Guarcello, M. G.; Sciortino, S.; Testi, L.

2010-10-01

We present new optical and NIR photometric data in the VRIJHK and H-α bands for the cluster NGC 1893. The optical photometry was obtained by using images acquired in service mode using two different telescopes: the Device Optimized for the LOw RESolution (DOLORES) mounted on the Telescopio Nazionale Galileo (TNG), used in service mode during three nights in 2007, and the Calar Alto Faint Object Spectrograph (CAFOS), mounted on the 2.2m telescope in Calar Alto German-Spanish Observatory (Spain), during three nights in 2007 and 2008. NIR observations were acquired in service mode at the TNG, using the large field Near Infrared Camera Spectrometer (NICS) with the Js(1.25um), H(1.63um) and K'(2.12um) filters during eight nights in 2007 and 2008. We observed a field around NGC 1893 with a raster of 4x4 pointings, at each pointing we obtained a series of NINT dithered exposures. Each exposure is a repetition of a DIT (Detector Integration Time) times NDIT (number of DIT), to avoid saturation of the background. (4 data files).

Folie à Trois à Lubumbashi: à propos d’un cas

PubMed Central

Bugeme, Marcellin; Mukuku, Olivier; Mobambo, Pitchou; Koba, Bora; Muyumba, Emmanuel

2013-01-01

Le trouble psychotique partagé est une entité psychiatrique rare caractérisée par la transmission des idées délirantes d’un patient dit “inducteur”, à un autre dit “induit”, tous vivant en association proche, dans un milieu clos et isolé, partageant des idées délirantes sur le même thème. Nous vous rapportons un cas clinique de “folie à trois” mettant en jeu un délire de persécution à mécanisme hallucinatoire et interprétatif par trois soeurs de même famille biologique, orphelines de père, vivant ensemble, ayant un niveau socio-économique bas après la mort de leur père. Elles ont des relations étroitement liéeset font leurs activités ensemble. L’aînée étant parvenue à partager ses idées délirantes avec ses soeurs et toutes troisse sont retrouvées dans un état d’excitation psychomotrice. PMID:23560130

Development of anion-exchange/reversed-phase high performance liquid chromatography-inductively coupled plasma-mass spectrometry methods for the speciation of bio-available iodine and bromine from edible seaweed.

PubMed

Romarís-Hortas, Vanessa; Bermejo-Barrera, Pilar; Moreda-Piñeiro, Antonio

2012-05-04

Anion exchange high performance liquid chromatography hyphenated with inductively coupled plasma-mass spectrometry has been novelly applied to assess inorganic (iodide and iodate) and organic (3-iodotyrosine - MIT, and 3,5-diiodotyrosine - DIT) iodine species in a single chromatographic run. The optimized operating conditions (Dionex IonPac AS7, gradient elution with 175 mM ammonium nitrate plus 15% (v/v) methanol, pH 3.8, as a mobile phase and flow rates within the 0.5-1.5 mL min(-1) range) have also been used to perform inorganic bromine speciation analysis (bromide and bromate). The developed method has been applied for determining the bio-available contents of iodine and bromine species in dialyzates from edible seaweed. Reverse phase high performance liquid chromatography (Zorbax Eclipse XDB-C8, gradient elution with 0.2% (m/m) acetic acid, and 0.2% (m/m) acetic acid in methanol, as mobile phases, and a constant flow rate of 0.75 mL min(-1)) also hyphenated with inductively coupled plasma-mass spectrometry was used to confirm the presence of organic iodine species (MIT and DIT) in the dialyzates. The verification of the presence of iodinated amino acids (MIT and DIT) in the extracts was also performed by reverse phase high performance liquid chromatography-electrospray ionization-mass spectrometry (LTQ Orbitrap). The developed methods have provided good repeatability (RSD values lower than 10% for both anion exchange and reverse phase separations) and analytical recoveries within the 90-105% range for all cases. The in vitro bio-availability method consisted of a simulated gastric and an intestinal digestion/dialysis (10 kDa molecular weight cut-off - MWCO) two-stage procedure. Iodide and MIT were the main bio-available species quantified, whereas bromide was the major bromine species found in the extracts. Copyright © 2012 Elsevier B.V. All rights reserved.

An F1-extended one-generation reproductive toxicity study in Crl:CD(SD) rats with 2,4-dichlorophenoxyacetic acid.

PubMed

Marty, Mary Sue; Neal, Barbara H; Zablotny, Carol L; Yano, Barry L; Andrus, Amanda K; Woolhiser, Michael R; Boverhof, Darrell R; Saghir, Shakil A; Perala, Adam W; Passage, Julie K; Lawson, Marie A; Bus, James S; Lamb, James C; Hammond, Larry

2013-12-01

2,4-Dichlorophenoxyacetic acid (2,4-D) was assessed for systemic toxicity, reproductive toxicity, developmental neurotoxicity (DNT), developmental immunotoxicity (DIT), and endocrine toxicity. CD rats (27/sex/dose) were exposed to 0, 100, 300, 600 (female), or 800 (male) ppm 2,4-D in diet. Nonlinear toxicokinetic behavior was shown at high doses; the renal clearance saturation threshold for 2,4-D was exceeded markedly in females and slightly exceeded in males. Exposure was 4 weeks premating, 7 weeks postmating for P1 males and through lactation for P1 females. F1 offspring were examined for survival and development, and at weaning, pups were divided in cohorts, by sex and dose, and by systemic toxicity (10), DNT (10), DIT (20), and reproductive toxicity (≥ 23). Remaining weanlings were evaluated for systemic toxicity and neuropathology (10-12). Body weight decreased during lactation in high-dose P1 females and in F1 pups. Kidney was the primary target organ, with slight degeneration of proximal convoluted tubules observed in high-dose P1 males and in high-dose F1 males and females. A slight intergenerational difference in kidney toxicity was attributed to increased intake of 2,4-D in F1 offspring. Decreased weanling testes weights and delayed preputial separation in F1 males were attributed to decreased body weights. Endocrine-related effects were limited to slight thyroid hormone changes and adaptive histopathology in high-dose GD 17 dams seen only at a nonlinear toxicokinetic dose. 2,4-D did not cause reproductive toxicity, DNT, or DIT. The "No Observed Adverse Effect Level" for systemic toxicity was 300 ppm in both males (16.6 mg/kg/day) and females (20.6 mg/kg/day), which is approximately 6700- to 93 000-fold higher than that reported for 2,4-D exposures in human biomonitoring studies.

An F1-Extended One-Generation Reproductive Toxicity Study in Crl:CD(SD) Rats With 2,4-Dichlorophenoxyacetic Acid

PubMed Central

Marty, Mary Sue

2013-01-01

2,4-Dichlorophenoxyacetic acid (2,4-D) was assessed for systemic toxicity, reproductive toxicity, developmental neurotoxicity (DNT), developmental immunotoxicity (DIT), and endocrine toxicity. CD rats (27/sex/dose) were exposed to 0, 100, 300, 600 (female), or 800 (male) ppm 2,4-D in diet. Nonlinear toxicokinetic behavior was shown at high doses; the renal clearance saturation threshold for 2,4-D was exceeded markedly in females and slightly exceeded in males. Exposure was 4 weeks premating, 7 weeks postmating for P1 males and through lactation for P1 females. F1 offspring were examined for survival and development, and at weaning, pups were divided in cohorts, by sex and dose, and by systemic toxicity (10), DNT (10), DIT (20), and reproductive toxicity (≥ 23). Remaining weanlings were evaluated for systemic toxicity and neuropathology (10–12). Body weight decreased during lactation in high-dose P1 females and in F1 pups. Kidney was the primary target organ, with slight degeneration of proximal convoluted tubules observed in high-dose P1 males and in high-dose F1 males and females. A slight intergenerational difference in kidney toxicity was attributed to increased intake of 2,4-D in F1 offspring. Decreased weanling testes weights and delayed preputial separation in F1 males were attributed to decreased body weights. Endocrine-related effects were limited to slight thyroid hormone changes and adaptive histopathology in high-dose GD 17 dams seen only at a nonlinear toxicokinetic dose. 2,4-D did not cause reproductive toxicity, DNT, or DIT. The “No Observed Adverse Effect Level” for systemic toxicity was 300 ppm in both males (16.6mg/kg/day) and females (20.6mg/kg/day), which is approximately 6700- to 93 000-fold higher than that reported for 2,4-D exposures in human biomonitoring studies. PMID:24072463

The Relationship between Ethical Decision Making and Ethical Reasoning in Information Technology Students

ERIC Educational Resources Information Center

Woodward, Belle; Davis, Diane C.; Hodis, Flaviu A.

2007-01-01

This study examined undergraduate information technology (IT) students' (N = 122) level of ethical reasoning and decision making at a Midwestern university. The purpose was to determine whether IT students' level of ethical reasoning provided information about the degree of their ethical decision making. The Defining Issues Test-2 (DIT-2) was used…

A Martingale Characterization of Mixed Poisson Processes.

DTIC Science & Technology

1985-10-01

03LA A 11. TITLE (Inciuae Security Clanafication, ",A martingale characterization of mixed Poisson processes " ________________ 12. PERSONAL AUTHOR... POISSON PROCESSES Jostification .......... . ... . . Di.;t ib,,jtion by Availability Codes Dietmar Pfeifer* Technical University Aachen Dist Special and...Mixed Poisson processes play an important role in many branches of applied probability, for instance in insurance mathematics and physics (see Albrecht

"Better a Live Sparrow than a Stuffed Eagle": Towards a Translation of Guillaume de Machaut's "Dit de l'Alerion."

ERIC Educational Resources Information Center

Thaon, Brenda

1978-01-01

A discussion of some special problems in translating medieval poetry into a modern language while conveying the original meaning, emotional tone and word play. The discussion centers on the poetry of Machaut, a medieval poet of interest to English scholars because of his influence on Chaucer. (AMH)

The Effect of Personal Orientations toward Intergroup Relations on Moral Reasoning

ERIC Educational Resources Information Center

Passini, Stefano

2014-01-01

This article examined how the group membership of the person being judged influenced the level of moral reasoning. Nearly 200 ordinary Italians were given two measures of moral ingroup inclusiveness (the Bogardus social distance scale and a self-categorization measure) and the short form of Rest's Defining Issues Test (DIT). The protagonists in…

Detection of T-2 Toxin by an Improved Radioimmunoassay

DTIC Science & Technology

1983-02-01

M. A. Mehlman led.). Mycotoxins in human and animal health . of the extraction steps, the shorter incubation Pathotox Publishers Inc., Park Forest...and animal health . Pathotox 742. Publishers Inc.. Park Forest South. Ill. Accession For NTIS GRA&I DTIC TAB 0 Unannounced 5 DTIC Justification ELECTE 117_ _ Distribution/ OC Availability Codes B DIt special ,41 - .

Moral Judgement Changes among Undergraduates in a Capstone Internship Experience

ERIC Educational Resources Information Center

Craig, Patricia J.; Oja, Sharon Nodie

2013-01-01

This mixed-methods study explored the moral growth of undergraduates in a recreation management internship experience. The quantitative phase reported moral judgement gains in Personal Interest and Post-conventional schema, and N-2 scores, as measured by the Defining Issues Test 2 (DIT-2), among 33 interns. The case-study method used a pattern…

The Cultural Phenomenon of Identity Theft and the Domestication of the World Wide Web

ERIC Educational Resources Information Center

Caeton, Daniel A.

2007-01-01

Through a critique of the rhetorical configurations of identity theft, this article contributes to the emerging body of theory contending with the social effects of digital information technologies (DIT). It demonstrates how the politics of fear manipulate technosocial matrices in order to derive consent for radical changes such as the…

Dublin Institute of Technology's Programme for Students Learning with Communities: A Critical Account of Practice

ERIC Educational Resources Information Center

Gamble, Elena; Bates, Catherine

2011-01-01

Purpose: This paper aims to focus on the process of critically evaluating Dublin Institute of Technology's Programme for Students Learning With Communities after its first year of operation. The programme supports and promotes community-based learning/service-learning across DIT. Design/methodology/approach: The paper is presented in the form of a…

Ultrathin ZnO interfacial passivation layer for atomic layer deposited ZrO2 dielectric on the p-In0.2Ga0.8As substrate

NASA Astrophysics Data System (ADS)

Liu, Chen; Lü, Hongliang; Yang, Tong; Zhang, Yuming; Zhang, Yimen; Liu, Dong; Ma, Zhenqiang; Yu, Weijian; Guo, Lixin

2018-06-01

Interfacial and electrical properties were investigated on metal-oxidesemiconductor capacitors (MOSCAPs) fabricated with bilayer ZnO/ZrO2 films by atomic layer deposition (ALD) on p-In0.2Ga0.8As substrates. The ZnO passivated In0.2Ga0.8As MOSCAPs have exhibited significantly improved capacitance-voltage (C-V) characteristics with the suppressed "stretched out" effect, increased accumulation capacitance and reduced accumulation frequency dispersion as well as the lower gate leakage current. In addition, the interface trap density (Dit) estimated by the Terman method was decreased dramatically for ZnO passivated p-In0.2Ga0.8As. The inherent mechanism is attributed to the fact that an ultrathin ZnO IPL employed by ALD prior to ZrO2 dielectric deposition can effectively suppress the formation of defect-related low-k oxides and As-As dimers at the interface, thus effectively improving the interface quality by largely removing the border traps aligned near the valence band edge of the p-In0.2Ga0.8As substrate.

Assessing Medical Students' Moral Judgment over the Course of a Four-Year Professionalism and Humanism Curriculum

ERIC Educational Resources Information Center

Riegle, Sandra E.; Frye, Ann W.; Glenn, Jason; Smith, Kirk L.

2012-01-01

Teachers tasked with developing moral character in future physicians face an array of pedagogic challenges, among them identifying tools to measure progress in instilling the requisite skill set. One validated instrument for assessing moral judgment is the Defining Issues Test (DIT-2). Based on the work of Lawrence Kohlberg, the test's main…

A Corpus-Based Discourse Information Analysis of Chinese EFL Learners' Autonomy in Legal Case Brief Writing

ERIC Educational Resources Information Center

Chen, Jinshi

2017-01-01

Legal case brief writing is pedagogically important yet insufficiently discussed for Chinese EFL learners majoring in law. Based on process genre approach and discourse information theory (DIT), the present study designs a corpus-based analytical model for Chinese EFL learners' autonomy in legal case brief writing and explores the process of case…

Aircraft Electromagnetic Compatibility.

DTIC Science & Technology

1987-06-01

Human Exposure to Radio Frequency Electromagnetic Fields , 300 KiloHertz to 100 GigaHertz." 6. ARINC 429-8, "Digital Information Transfer System (DITS...142 V EXECUTIVE SUMMARY The Aircraft Electromagnetic Compatibility guidelines document deals with electromagnetic compatibility in a... electromagnetic interference paths (figure EI. TYPE PATH 400 Hz Electrostatic MagneticCharge Electric Field Transients 5 R d t Coupling 150/i 300o Wire

Moral Rationality and Intuition: An Exploration of Relationships between the Defining Issues Test and the Moral Foundations Questionnaire

ERIC Educational Resources Information Center

Glover, Rebecca J.; Natesan, Prathiba; Wang, Jie; Rohr, Danielle; McAfee-Etheridge, Lauri; Booker, Dana D.; Bishop, James; Lee, David; Kildare, Cory; Wu, Minwei

2014-01-01

Explorations of relationships between Haidt's Moral Foundations Questionnaire (MFQ) and indices of moral decision-making assessed by the Defining Issues Test have been limited to correlational analyses. This study used Harm, Fairness, Ingroup, Authority and Purity to predict overall moral judgment and individual Defining Issues Test-2 (DIT-2)…

Language Learning in Virtual Worlds: Designing for Languaging, the Role of Affordances

ERIC Educational Resources Information Center

Nocchi, Susanna

2014-01-01

This article will utilise data collected during SLItaliano, an Italian language course run in the Virtual World (VW) of Second Life® (SL®) in 2012. The course was offered to third level students of Italian as a Foreign Language (FL) in an Irish college, the Dublin Institute of Technology (DIT). It was designed and coordinated by the researcher and…

Modifying Defining Issues Test (DIT) as a Tool for Assessing Secondary Students' Social-Emotional Competencies

ERIC Educational Resources Information Center

Ee, Jessie

2014-01-01

This paper discusses the use of an alternative instrument to assess the social-emotional competence (SEC) of secondary school students in Singapore. The instrument was used in a larger study to explore an approach to infuse social-emotional learning in the curriculum for children in school. The design of this research instrument is based on the…

Atomistic modeling trap-assisted tunneling in hole tunnel field effect transistors

NASA Astrophysics Data System (ADS)

Long, Pengyu; Huang, Jun Z.; Povolotskyi, Michael; Sarangapani, Prasad; Valencia-Zapata, Gustavo A.; Kubis, Tillmann; Rodwell, Mark J. W.; Klimeck, Gerhard

2018-05-01

Tunnel Field Effect Transistors (FETs) have the potential to achieve steep Subthreshold Swing (S.S.) below 60 mV/dec, but their S.S. could be limited by trap-assisted tunneling (TAT) due to interface traps. In this paper, the effect of trap energy and location on OFF-current (IOFF) of tunnel FETs is evaluated systematically using an atomistic trap level representation in a full quantum transport simulation. Trap energy levels close to band edges cause the highest leakage. Wave function penetration into the surrounding oxide increases the TAT current. To estimate the effects of multiple traps, we assume that the traps themselves do not interact with each other and as a whole do not modify the electrostatic potential dramatically. Within that model limitation, this numerical metrology study points to the critical importance of TAT in the IOFF in tunnel FETs. The model shows that for Dit higher than 1012/(cm2 eV) IO F F is critically increased with a degraded IO N/IO F F ratio of the tunnel FET. In order to have an IO N/IO F F ratio higher than 104, the acceptable Dit near Ev should be controlled to no larger than 1012/(cm2 eV) .

Passivation of Ge/high-κ interface using RF Plasma nitridation

NASA Astrophysics Data System (ADS)

Dushaq, Ghada; Nayfeh, Ammar; Rasras, Mahmoud

2018-01-01

In this paper, plasma nitridation of a germanium surface using NH3 and N2 gases is performed with a standard RF-PECVD method at a substrate temperature of 250 °C. The structural and optical properties of the Ge surface have been investigated using Atomic Force Microscopy (AFM), Fourier Transform Infrared Spectroscopy (FT-IR), and Variable Angle Spectroscopic Ellipsometery (VASE). Study of the Ge (100) surface revealed that it is nitrated after plasma treatment while the GeO2 regrowth on the surface has been suppressed. Also, stability of the treated surface under air exposure is observed, where all the measurements were performed at room ambient. The electrical characteristics of fabricated Al/Ti/HfO2/GeON/p-Ge capacitors using the proposed surface treatment technique have been investigated. The C-V curves indicated a negligible hysteresis compared to ˜500 mV observed in untreated samples. Additionally, the C-V characteristic is used to extract the high-κ/Ge interface trap density using the most commonly used methods in determining the interface traps. The discussion includes the Dit calculation from the high-low frequency (Castagné-Vapaille) method and Terman (high-frequency) method. The high-low frequency method indicated a low interface trap density of ˜2.5 × 1011 eV-1.cm-2 compared to the Terman method. The J-V measurements revealed more than two orders of magnitude reduction of the gate leakage. This improved Ge interface quality is a promising low-temperature technique for fabricating high-performance Ge MOSFETs.

Ground-state densities from the Rayleigh-Ritz variation principle and from density-functional theory.

PubMed

Kvaal, Simen; Helgaker, Trygve

2015-11-14

The relationship between the densities of ground-state wave functions (i.e., the minimizers of the Rayleigh-Ritz variation principle) and the ground-state densities in density-functional theory (i.e., the minimizers of the Hohenberg-Kohn variation principle) is studied within the framework of convex conjugation, in a generic setting covering molecular systems, solid-state systems, and more. Having introduced admissible density functionals as functionals that produce the exact ground-state energy for a given external potential by minimizing over densities in the Hohenberg-Kohn variation principle, necessary and sufficient conditions on such functionals are established to ensure that the Rayleigh-Ritz ground-state densities and the Hohenberg-Kohn ground-state densities are identical. We apply the results to molecular systems in the Born-Oppenheimer approximation. For any given potential v ∈ L(3/2)(ℝ(3)) + L(∞)(ℝ(3)), we establish a one-to-one correspondence between the mixed ground-state densities of the Rayleigh-Ritz variation principle and the mixed ground-state densities of the Hohenberg-Kohn variation principle when the Lieb density-matrix constrained-search universal density functional is taken as the admissible functional. A similar one-to-one correspondence is established between the pure ground-state densities of the Rayleigh-Ritz variation principle and the pure ground-state densities obtained using the Hohenberg-Kohn variation principle with the Levy-Lieb pure-state constrained-search functional. In other words, all physical ground-state densities (pure or mixed) are recovered with these functionals and no false densities (i.e., minimizing densities that are not physical) exist. The importance of topology (i.e., choice of Banach space of densities and potentials) is emphasized and illustrated. The relevance of these results for current-density-functional theory is examined.

100 Companies Receiving the Largest Dollar Volume of Prime Contract Awards, fiscal Year 1989

DTIC Science & Technology

1989-01-01

Fiscal Year 1989 Accession For NTIS GRA&I DTIC TAB0 Unannounced ju3t if iat ion Distribution/ AvailabilitY Codes Dit special. TABLE OF CONTENTS Invir...CORPORATION 9,625 TOTAL 118,089 0.09 66.11 98 CONTINENTAL MARITIME INDS 33,818 CONTINNTAL MRTIME OF SAN DIEGO 82,791 TOTAL 116,609 0 09 66.20 99

Feasibility Study of TRISCAN Landing System.

DTIC Science & Technology

1977-10-01

as inclinometers, tiltmeters , vertical sensors , level sensors , pendulums, and gravity sensing electrolytic transducers. Of course, the common...5.0 NAVTOLAND SENSOR REQUIREMENTS 5.1 TRISCAN PERFORMANCE _ --* L 5.2 SHIPS MOTION SENSING 5.3 DATA LINK Dit.S.ia 6.0 CONCLUSIONS AND RECOMMENDATIONS...involved in enabling the pilot to fly V/STOL Aircraft onto Navy Ships and Marine Corps tactical sites. Guidance sensors have been identified as being

Teens in the Twenty-First Century Still Prefer People over Machines: Importance of Intervention Delivery Style in Adolescent HIV/STD Prevention

ERIC Educational Resources Information Center

Pendleton, Sara M.; Stanton, Bonita; Cottrell, Lesley A.; Marshall, Sharon; Pack, Robert; Burns, James; Gibson, Catherine; Wu, Ying; Li, Xiaoming; Cole, Matthew

2007-01-01

Purpose: To assess and compare youth satisfaction with two delivery approaches to a HIV/STD risk reduction intervention targeting adolescents: an on-site, face-to-face (FTF) approach versus a long distance interactive televised (DIT) approach. Methods: A convenience sample of 571 rural adolescents ages 12-16 years who participated in an HIV/STD…

Survival of Microorganisms in Nature.

DTIC Science & Technology

1982-04-07

number) Survival of bacteria; Death of bacteria; Cysts; Dormancy; Pseudomonas aeruginosa; Azotobacter; Chemotaxis; Micrococcus luteus; Predation...attracted to and rapidly destroys (lyses) added Micrococcus luteus cells. There is also attack of predator on predator in this system. DO 1 DIT1 473 Oor I OV...and on laboratory media. 4 1 SUMMARY OF IMPORTANT RESULTS Micrococcus luteus was shown to survive only poorly in soil (Casida, 1980a). This was

Using Structural Equation Modeling to Validate the Theory of Planned Behavior as a Model for Predicting Student Cheating

ERIC Educational Resources Information Center

Mayhew, Matthew J.; Hubbard, Steven M.; Finelli, Cynthia J.; Harding, Trevor S.; Carpenter, Donald D.

2009-01-01

The purpose of this paper is to validate the use of a modified Theory of Planned Behavior (TPB) for predicting undergraduate student cheating. Specifically, we administered a survey assessing how the TPB relates to cheating along with a measure of moral reasoning (DIT- 2) to 527 undergraduate students across three institutions; and analyzed the…

THE ETHICAL EDUCATION OF OPHTHALMOLOGY RESIDENTS: AN EXPERIMENT

PubMed Central

Packer, Samuel

2005-01-01

Purpose To demonstrate the effect of ethics education on a resident’s ability to answer questions that relate to moral dilemmas and on the clinical evaluations of residents by faculty. Methods The curriculum for the ethics education that was used for this study was designed by the author and consisted of 10 lectures of 1.5 hours each. Five residencies were included in the project. One residency received one lecture, two residencies received three lectures, and two residencies received 10 lectures. To evaluate the moral skills of the residents at the beginning of the course and at the end, the residents were given the Defining Issues Test (DIT-2) developed by James Rest, which involves answering standardized questions about four moral dilemmas. Faculty evaluations were completed before and after the ethics lectures were given. At the beginning of the ethics course, each resident was given a social survey that was designed to assess participation in community, religious, political, and societal activities as well as attitudes about these activities. All residents were also asked demographic information, including their age, gender, and year of residency. Results The results of the DIT-2 taken before and after the ethics lectures were compared. No correlations were found in faculty evaluations of clinical performance of the residents before and after the course (P = .052). Associations between DIT-2 scores and questions on community and religion in the social survey were noted. Conclusion The finding that the effect of an ethics course on residents’ ability to answer moral dilemmas did not achieve statistical significance should be accepted with the understanding that this was a first attempt at standardization of many variables, especially the format of the curriculum and materials used. The use of faculty evaluations to assess clinical performance needs to be standardized, and the faculty members need additional training to ensure validity of the results. The social survey was also the first attempt to assess an association between a resident’s response to moral dilemmas, attending evaluations, and residents’ opinions that relate to community, society, politics, and religion. PMID:17057806

The ethical education of ophthalmology residents: an experiment.

PubMed

Packer, Samuel

2005-01-01

To demonstrate the effect of ethics education on a resident's ability to answer questions that relate to moral dilemmas and on the clinical evaluations of residents by faculty. The curriculum for the ethics education that was used for this study was designed by the author and consisted of 10 lectures of 1.5 hours each. Five residencies were included in the project. One residency received one lecture, two residencies received three lectures, and two residencies received 10 lectures. To evaluate the moral skills of the residents at the beginning of the course and at the end, the residents were given the Defining Issues Test (DIT-2) developed by James Rest, which involves answering standardized questions about four moral dilemmas. Faculty evaluations were completed before and after the ethics lectures were given. At the beginning of the ethics course, each resident was given a social survey that was designed to assess participation in community, religious, political, and societal activities as well as attitudes about these activities. All residents were also asked demographic information, including their age, gender, and year of residency. The results of the DIT-2 taken before and after the ethics lectures were compared. No correlations were found in faculty evaluations of clinical performance of the residents before and after the course (P = .052). Associations between DIT-2 scores and questions on community and religion in the social survey were noted. The finding that the effect of an ethics course on residents' ability to answer moral dilemmas did not achieve statistical significance should be accepted with the understanding that this was a first attempt at standardization of many variables, especially the format of the curriculum and materials used. The use of faculty evaluations to assess clinical performance needs to be standardized, and the faculty members need additional training to ensure validity of the results. The social survey was also the first attempt to assess an association between a resident's response to moral dilemmas, attending evaluations, and residents' opinions that relate to community, society, politics, and religion.

Public Reporting and a More Sustainable Army

DTIC Science & Technology

2009-04-01

information, and corporate governance . Federal Reserve Bank of New York Economic Policy Review April 2003: 65-87. Available at http... Volkswagen Yes Sinopec No Crédit Agricole Yes Allianz No Fortis Yes Source of corporate names only is http://money.cnn.com/magazines/fortune...organizations. Few, if any, corporate sustainability re- ports follow the GRI protocol at the level of detail present in the Army report. From this standpoint

Electronic Messaging for the 90s (Les Messageries Electroniques des Annees 90)

DTIC Science & Technology

1993-05-01

des autres unitds (un programme peut par exemple inclure un algorithme de 2. L CICULAIONDE ’INFRMAION recherche dans des donn~es...dit quc le rdseau, en particulier le r.dseau distant, cette coopdration homme /macbine. aifre des performances bien infirieures A celles des ordinateurs...dans ce sens, entre constructeurs d’ordinateurs, des opdrations traitementltransport. constructeurs didquipements de t~ l ~communications et exploitants de

An Empirical Investigation of the Moral Judgment Development of a Sample of High School Kuwaiti Teachers

ERIC Educational Resources Information Center

Al-Shurai, Saad

2012-01-01

This study was conducted to investigate the moral development of one hundred Kuwaiti high school teachers. They ranged in age from 23 to 48 years with a mean of 28.6 years and a standard deviation of 8.3 years. The teachers' individual moral judgment levels were assessed by the Defining Issues Test (DIT)--an objective test designed by James Rest…

Glutathione-mediated biodegradable polyurethanes derived from L-arabinitol.

PubMed

de Paz, M Violante; Zamora, Francisca; Begines, Belén; Ferris, Cristina; Galbis, Juan A

2010-01-11

The synthesis, characterization, and some properties of new glutathione-mediated biodegradable sugar-based copolyurethanes are described. These copolyurethanes were obtained by polyaddition reaction of mixtures of 2,2'-dithiodiethanol (DiT) and 2,3,4-tri-O-benzyl-L-arabinitol (ArBn) or 2,3,4-tri-O-methyl-L-arabinitol (ArMe) to 1,6-hexamethylene diisocyanate (HMDI). The copolymer compositions were studied by elemental microanalyses and (1)H NMR, revealing that the content of the copolymer units is in all cases very similar to that of their corresponding feed. The PU(DiT-HMDI) homopolymer exhibited a high crystallinity, but the introduction of the arabinitol-based diols led to a reduction in the crystallinity of the copolymers. In their TG curves, the copolymers exhibited a mixed trend of the related homopolymers, and all of them were thermally stable, with degradation temperatures above 220 degrees C. The degradation properties of the macromolecules under physiological conditions in the presence of glutathione were tested. All the copolyurethanes proved to be biodegradable under the experimental conditions (pH = 7.02 and 37 degrees C). The degradation pattern of the copolymers depended not only on the dithiodiethanol (DiT) reactive units ratio in the polymer backbone, but also on the crystallinity of the macromolecule.

Approaches and considerations for the assessment of immunotoxicity for environmental chemicals: a workshop summary.

PubMed

Boverhof, Darrell R; Ladics, Greg; Luebke, Bob; Botham, Jane; Corsini, Emanuela; Evans, Ellen; Germolec, Dori; Holsapple, Michael; Loveless, Scott E; Lu, Haitian; van der Laan, Jan Willem; White, Kimber L; Yang, Yung

2014-02-01

As experience is gained with toxicology testing and as new assays and technologies are developed, it is critical for stakeholders to discuss opportunities to advance our overall testing strategies. To facilitate these discussions, a workshop on practices for assessing immunotoxicity for environmental chemicals was held with the goal of sharing perspectives on immunotoxicity testing strategies and experiences, developmental immunotoxicity (DIT), and integrated and alternative approaches to immunotoxicity testing. Experiences across the chemical and pharmaceutical industries suggested that standard toxicity studies, combined with triggered-based testing approaches, represent an effective and efficient approach to evaluate immunotoxic potential. Additionally, discussions on study design, critical windows, and new guideline approaches and experiences identified important factors to consider before initiating DIT evaluations including assay choice and timing and the impact of existing adult data. Participants agreed that integrating endpoints into standard repeat-dose studies should be considered for fulfilling any immunotoxicity testing requirements, while also maximizing information and reducing animal use. Participants also acknowledged that in vitro evaluation of immunosuppression is complex and may require the use of multiple assays that are still being developed. These workshop discussions should contribute to developing an effective but more resource and animal efficient approach for evaluating chemical immunotoxicity. Copyright © 2013 Elsevier Inc. All rights reserved.

The Relationship between Intuitive Action Choices and Moral Reasoning on Animal Ethics Issues in Students of Veterinary Medicine and Other Relevant Professions.

PubMed

Verrinder, Joy M; Phillips, Clive J C

2018-01-01

With growing understanding of animals' capabilities, and public and organizational pressures to improve animal welfare, moral action by veterinarians and other relevant professionals to address animal issues is increasingly important. Little is known about how their action choices relate to their moral reasoning on animal ethics issues. A moral judgment measure, the VetDIT, with three animal and three non-animal scenarios, was used to investigate the action choices of 619 students in five animal- and two non-animal-related professional programs in one Australian university, and how these related to their moral reasoning based on Personal Interest (PI), Maintaining Norms (MN), or Universal Principles (UP) schemas. Action choices showed significant relationships to PI, MN, and UP questions, and these varied across program groups. Having a previous degree or more experience with farm animals had a negative relationship, and experience with horses or companion animals a positive relationship, with intuitive action choices favoring life and bodily integrity of animals. This study helps to explain the complex relationship between intuitive moral action choices and moral reasoning on animal ethics issues. As a useful research and educational tool for understanding this relationship, the VetDIT can enhance ethical decision making.

Computer Program Development Specification for IDAMST Operational Flight Programs. Addendum 1. Executive Software.

DTIC Science & Technology

1976-11-01

system. b. Read different program configurations to reconfigure the software during flight. c. Write Digital Integrated Test System (DITS) results...associated witn > inor C):l.e Event must be Unlatched. The sole difference between a Latched ana an lnratcrec Condition is that upon the Scheduling...Table. Furthermore, the block of pointers for one Minor Cycle may be wholly contained witnir the Diock of ocinters for a different Minor Cycle. For

The Bauschinger and Hardening Effects on Residual Stresses in an Autofrettaged Thick-Walled Cylinder

DTIC Science & Technology

1984-06-01

8217Large Caliber Weapon3 Systems Labrra-ory 1ý’ NUBE OF PAGES Dover, 1.7)70 14 "NITOING AGENCY N XME: A ADDRF!SS(Ir -ditI.. fromI Controlling Office. IS...US ARMY AMCCOM COMMANDER ATTN: DRSMC-LC(D) 1 US ARMY TANK-AUTMV COMD DRSMC-LCE(D) I ATTN: DRSTA-RC DRSMC-LCM(D) ( BLDC 321) 1 WARREN, MI 48090 DRSMC-LCS

A Model of an Integrated Air Defense System (IADS) for the TACOPS program

DTIC Science & Technology

1991-09-01

SUBJECT TERMS (Continue on reverse If necessary and Identify by block number) FIELD GROUP SUB-GROUP Integrated Air Defense System, iADS, TACOPS...needed. Selection criteria for picking a Measurement Of Effectiveness (MOE) are presented. Acceslon For I NTIS CRA&I DTIC TAB 0 Unannouticed 1 ...Justification B y ............................................... Di.,t ibiation Av.iabilily Codes Avai i:.djor Dist A- 1 THESIS DISCLAIMER The reader is cautioned

The Journal of Public Inquiry. Fall/Winter 2009-2010

DTIC Science & Technology

2010-01-01

this exception permits an agency to retain that portion of the recovery that represents its “direct loss,” or what is often referred to as “single...twenty years old, and what im- pact medical ailments have on handwrit- ing. this research may provide insight into examinations supporting criminal... what to say.”21 this type of e-mail correspondence could be indicative of a problem. terms: “au- dit,” “auditor

A Reliability and Validity Study of the Defining Issues Test: The Relationship of Age, Education, Gender and Parental Education with Moral Development

ERIC Educational Resources Information Center

Cesur, Sevim; Topcu, Mustafa Sami

2010-01-01

The aim of the study is twofold: First and main aim was to develop a valid and reliable Turkish version of the DIT which is one of the most important instruments in the psychology and education research; second is to explore the relationships between moral development and age, gender, education, and parental education. The study group consists of…

Target Patterns in Reaction-Diffusion Systems,

DTIC Science & Technology

1981-01-01

Riol. 37 (1974), 225-235. 8. M. H. COHEN AND S. A. ROBERTSON, Wave propagation in the early stages of aggregation of cellular slime molds . J. Theoret...the Zaikin-Zhabotinskii-Winfree reagent, Chem. Educ. 56 (1979), 574. 5. F. ALCANTARA AND M. MONK, Signal propagation during aggregation in the slime ... mold Dit’resteltu n discoideum. J. Gen. Microbiol. 85 (1974). 321-334. 6. M. S. COHEN AND P. S. HAGAN, Diffusion induced morphogenesis in the

Can Ethics Be Taught? A Quasi-Experimental Study of the Impact of Class Size on the Cognitive Moral Reasoning of Freshmen Business Students

ERIC Educational Resources Information Center

Sullivan, Ethan A.

2011-01-01

The purpose of this study was to determine the impact of a business ethics course on the cognitive moral reasoning of freshmen business students. The sample consisted of 268 college students enrolled in a required business ethics course. The students took Rest's Defining Issues Test--Version 2 (DIT2) as a pre-test and then post-test (upon…

Quality of Expert Systems: Methods and Techniques (Kwaliteit van Expertsystemen: Methoden en Technieken)

DTIC Science & Technology

1989-12-01

en Elektroniscb Laboratorium TNO (FEL-TNO), de Rijksuniversiteit Limburg (RL) en bet Research Instituut voor Kennis-Systemen (RIKS). In dit rapport...kwaliteitsbeheersing van kennissystemen. TNO rapport Pagina 2 report no : FEL-89-A267 bee Quality of Expert Systems: Methods and Techniques author(s) J.H.J. Lenting MA...Defence Research and Development. Participants in the project are TNO Physics and Electronics Laboratory (FEL-TNO), University of Limburg (RL) and

Storings analyse Ten Behoeve van het Materieelverzorgingsplan (Failure Analysis for the Maintenance Plan)

DTIC Science & Technology

1990-05-01

oporachtnemer verwezen naar de ’Algemone Voorwaarden voor Onderzoeks- opdrachten TNO’. dan wet de betreflende terzake fijasen partlijen gesloten * 11 ...ixvulling van het onderhoudsschema 9 2.4 Invulling van het onderhoudsschema in de praktijk 14 2.5 Gonclusies 16 3 STORINGSANALYSES 18 3.1 ’Failure mode...nnfd- en subgroep (dit is een opdeling van bet systeem naar functioneel sanienhangende delen). Pa gina 9 - Het onderhoudsniveau waar jedere

42 CFR 505.5 - Loan criteria.

Code of Federal Regulations, 2011 CFR

2011-10-01

... meet the following criteria: (1) The hospital is located in a State that, based on population density, is defined as a rural State. A rural State is one of ten States with the lowest population density... prioritized beginning with the State with the lowest population density. Population density is determined...

42 CFR 505.5 - Loan criteria.

Code of Federal Regulations, 2010 CFR

2010-10-01

... meet the following criteria: (1) The hospital is located in a State that, based on population density, is defined as a rural State. A rural State is one of ten States with the lowest population density... prioritized beginning with the State with the lowest population density. Population density is determined...

Mercury Cadmium Telluride Sputtering Research.

DTIC Science & Technology

1982-08-28

originally designed for 5.7cm rather than 12.7cu diameter targets. A similar target made from poly- crystalline (Hg.8 Cd.2)Te material, which is difficult to...required 3 stainless steel pieces per dit, but provded a loM thamrl idauce for the diemspated taret power. The details of the design re given in...analyzed: 2) WDX detects and measures only one element at a time thereby ensuring better accuracy; 3) Since WDX electron microprobe is especially designed

Job Oriented Training: Handleiding Serious Gaming (Job Oriented Training: Handleiding (Handbook) Serious Gaming)

DTIC Science & Technology

2008-09-01

bijvoorbeeld de toekomstige uitzendgebieden in zich heeft. De praktijk gaat hierbij vooraf aan de theorie , de benodigde theoretische kennis wordt niet vooraf...rapportnummer TNO-DV 2008 A340 Opdrachtnummer Datum September 2008 Auteur (s) dr. A.H. van der Hulst ir. T.J. Muller maj C.L. Roos Rubricering rapport...Oriented Training toegepast. Dit betekent in essentie dat de leerlingen vanaf dag een, integrale missies uitvoeren en niet eerst de theorie wordt

Militaire Toepassingen Van Adaptieve Optiek (Military Applications of Adaptive Optics)

DTIC Science & Technology

2006-09-01

dat op dit moment met de beschikbare theorie mogelijk is. Een ander interessant aspect is de mate waarin de turbulentie effecten het jam patroon...systemen In WEAG studie JP8. 11 is aangetoond dat in theorie adaptieve technieken een verbetering van de prestaties van een DIRCM systeem kunnen...Molenaar; Theorie van de laserscintillometer; TNO repot PHL 1978-16 (1978). TNO-rapport I TNO-DV 2006 A336 35/35 6 Ondertekening Den Haag, september 2006

Statement on the Science and Technology Program and the Role of Department of Defense Laboratories FY 1979,

DTIC Science & Technology

1978-05-16

Di~t Scci ~_STATEMENT ON THE SCIENCI AND TECHNOLOGY PROGRAM AND THE ROLE OF DEPARTMENT OF ’DEFENSE LABORATORIES DR. RUTH M. /DAVIS DEPUTY UNDER...guidance and control 2 and electronics through materials , mathematics and physics, through oceanographic and environmental sciences to chemical and...warfare 23 19 21 Weaponry Landmines, Landmine Countermeasures 13 18 18 and Barriers Ocean Vehicles 114 118 138 Land Mobility 26 26 47 Materials and

Detection of gas hydrate with downhole logs and assessment of gas hydrate concentrations (saturations) and gas volumes on the Blake Ridge with electrical resistivity log data

USGS Publications Warehouse

Collett, T.S.; Ladd, J.

2000-01-01

Let 164 of the Ocean Drilling Program was designed to investigate the occurrence of gas hydrate in the sedimentary section beneath the Blake Ridge on the southeastern continental margin of North America. Site 994, and 997 were drilled on the Blake Ridge to refine our understanding of the in situ characteristics of natural gas hydrate. Because gas hydrate is unstable at surface pressure and temperature conditions, a major emphasis was placed on the downhole logging program to determine the in situ physical properties of the gas hydrate-bearing sediments. Downhole logging tool strings deployed on Leg 164 included the Schlumberger quad-combination tool (NGT, LSS/SDT, DIT, CNT-G, HLDT), the Formation MicroScanner (FMS), and the Geochemical Combination Tool (GST). Electrical resistivity (DIT) and acoustic transit-time (LSS/SDT) downhole logs from Sites 994, 995, and 997 indicate the presence of gas hydrate in the depth interval between 185 and 450 mbsf on the Blake Ridge. Electrical resistivity log calculations suggest that the gas hydrate-bearing sedimentary section on the Blake Ridge may contain between 2 and 11 percent bulk volume (vol%) gas hydrate. We have determined that the log-inferred gas hydrates and underlying free-gas accumulations on the Blake Ridge may contain as much as 57 trillion m3 of gas.

Is Obesity Associated with Altered Energy Expenditure?12

PubMed Central

Carneiro, Isabella P; Elliott, Sarah A; Siervo, Mario; Padwal, Raj; Bertoli, Simona; Battezzati, Alberto; Prado, Carla M

2016-01-01

Historically, obese individuals were believed to have lower energy expenditure (EE) rates than nonobese individuals (normal and overweight), which, in the long term, would contribute to a positive energy balance and subsequent weight gain. The aim of this review was to critically appraise studies that compared measures of EE and its components, resting EE (REE), activity EE (AEE), and diet-induced thermogenesis (DIT), in obese and nonobese adults to elucidate whether obesity is associated with altered EE. Contrary to popular belief, research has shown that obese individuals have higher absolute REE and total EE. When body composition (namely the metabolically active component, fat-free mass) is taken into account, these differences between obese and nonobese individuals disappear, suggesting that EE in obese individuals is not altered. However, an important question is whether AEE is lower in obese individuals because of a decrease in overall physical activity or because of less energy expended while performing physical activity. AEE and DIT could be reduced in obese individuals, mostly because of unhealthy behavior (low physical activity, higher intake of fat). However, the current evidence does not support the hypothesis that obesity is sustained by lower daily EE or REE. Future studies, comparing EE between obese and nonobese and assessing potential physiologic abnormalities in obese individuals, should be able to better answer the question of whether these individuals have altered energy metabolism. PMID:27184275

chs-4, a class IV chitin synthase gene from Neurospora crassa.

PubMed

Din, A B; Specht, C A; Robbins, P W; Yarden, O

1996-02-05

In Saccharomyces cerevisiae, most of the cellular chitin is produced by chitin synthase III, which requires the product encoded by the CSD2/CAL1/DIT101/KT12 gene. We have identified, isolated and structurally characterized as CSD2/CAL1/DIT101/KT12 homologue in the filamentous ascomycete Neurospora crassa and have used a "reverse genetics" approach to determine its role in vivo. The yeast gene was used as a heterologous probe for the isolation of a N. crassa gene(designated chs-4) encoding a polypeptide belonging to a class of chitin synthases which we have designated class IV. The predicted polypeptide encoded by this gene is highly similar to those of S. cerevisiae and Candida albicans. N. crassa strains in which chs-4 had been inactivated by the Repeat-Induced point mutation (RIP) process grew and developed in a normal manner under standard growth conditions. However, when grown in the presence of sorbose (a carbon source which induces morphological changes accompanied by elevated chitin content), chitin levels in the chs-4RIP strain were significantly lower than those observed in the wild type. We suggest that CHS4 may serve as an auxiliary enzyme in N. crassa and that, in contrast to yeasts, it is possible that filamentous fungi may have more than one class IV chitin synthase.

Determination of bulk and interface density of states in metal oxide semiconductor thin-film transistors by using capacitance-voltage characteristics

NASA Astrophysics Data System (ADS)

Wei, Xixiong; Deng, Wanling; Fang, Jielin; Ma, Xiaoyu; Huang, Junkai

2017-10-01

A physical-based straightforward extraction technique for interface and bulk density of states in metal oxide semiconductor thin film transistors (TFTs) is proposed by using the capacitance-voltage (C-V) characteristics. The interface trap density distribution with energy has been extracted from the analysis of capacitance-voltage characteristics. Using the obtained interface state distribution, the bulk trap density has been determined. With this method, for the interface trap density, it is found that deep state density nearing the mid-gap is approximately constant and tail states density increases exponentially with energy; for the bulk trap density, it is a superposition of exponential deep states and exponential tail states. The validity of the extraction is verified by comparisons with the measured current-voltage (I-V) characteristics and the simulation results by the technology computer-aided design (TCAD) model. This extraction method uses non-numerical iteration which is simple, fast and accurate. Therefore, it is very useful for TFT device characterization.

Effect of density of states peculiarities on Hund's metal behavior

NASA Astrophysics Data System (ADS)

Belozerov, A. S.; Katanin, A. A.; Anisimov, V. I.

2018-03-01

We investigate a possibility of Hund's metal behavior in the Hubbard model with asymmetric density of states having peak(s). Specifically, we consider the degenerate two-band model and compare its results to the five-band model with realistic density of states of iron and nickel, showing that the obtained results are more general, provided that the hybridization between states of different symmetry is sufficiently small. We find that quasiparticle damping and the formation of local magnetic moments due to Hund's exchange interaction are enhanced by both the density of states asymmetry, which yields stronger correlated electron or hole excitations, and the larger density of states at the Fermi level, increasing the number of virtual electron-hole excitations. For realistic densities of states, these two factors are often interrelated because the Fermi level is attracted towards peaks of the density of states. We discuss the implication of the obtained results to various substances and compounds, such as transition metals, iron pnictides, and cuprates.

Predation, Competition, and Abiotic Disturbance: Population Dynamics of Small Mammals

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

Yunger, John A.; /Northern Illinois U. /Northern Illinois U.

Predation and food availability have been implicated in annual non-cyclic fluctuations of vertebrate prey at mid-latitudes. The timing and magnitude of these factors are unclear due to a lack of large-scale field experiments, little attention to interactions, and a failure to closely link vertebrate predators with their prey. From October 1992 to January 1996, small mammal populations were censused on eight 0.6 ha plots at monthly intervals in a 32-ha prairie restoration at Fermi National Accelerator Laboratory, Illinois. Terrestrial vertebrate predators were excluded after July 1993 from four of the eight plots and canid diets monitored. Both terrestrial and avianmore » vertebrate predators were excluded in March 1994. During 1993 small mammal densities (i.e., Microtus Pennsylvanicus, Peromyscus leucopus, and P. maniculatus) were relatively high. Following peak densities in late summer, Microtus numbers wer 2-3x greater on exclusion plots relative to controls due to preferential selection of Microtus by canids, as reflected in dits. Following an ice-storm and crash in small mammal numbers (particularly Microtus), vertebrate predator exclusion had no detectable effect on P. leucopus numbers, probably due to an abundance of alternative prey (i.e., Sylvilagus floridanus). Meadow vole numbers began to increase in Fall 1995, and a numerical effect of predator exclusion, similar to that in 1993, was observed. Predator exclusion had no detectable effect on the movements and spatial patterns of Microtus during 1993. There was a significant decrease in home range and a significant increase in home range overlap for P. leucopus on the predator exclusion plots. The change in spatial behavior may be due to interspecific competition with Microtus resulting from increased densities on exclusion plots. Thus, predators had an indirect effect on P. leucopus spatial patterns mediated through M. Pennsylvanicus. The role of food limitation was studied using natural and manipulative experiments. Unusually high acorn production in Fall 1994 resulted in increased P. leucopus numbers at one Fermilab site due to immigration since survivorship or reproduction were unaffected. A food supplementation experiment during October 1994-March 1995 induced a strong increase in P. leucopus numbers, due again to immigration, although reproduction also was advanced by two months.« less

AIRWAR II User’s Manual.

DTIC Science & Technology

1984-04-17

3 asS -gag a coo 4; ; liJ J j jj; 0000 4.3 0 C, coo ac 0 cc 00 0j0i0 000 000; 0004- -’a -- fta LL. 000 00s 0 ~ m 0e00@0000 ccPo 000 coo oo J ~ 000 1...maintenance variables are set up in subroutine lE DIT from input values. For primary bases: DD -DMD MTTR(ij,id) FMD " MT ¥fg(ij, id ) F - F A(ij,id) where

The Diversity ECCM Performance of Frequency-Hopping CPFSK in Partial- Band Noise Jamming

DTIC Science & Technology

1988-05-25

TELEPHONE (Inc€ude Art Code) 22c. OFFICE SYMBOL 1 ar .anoer (919) 549-0641 ARO: EL-S D FORM 1473.6 4 MAR 83 APR edition may be used until exhausted...ASSOCIATES, INC. TABLE OF CONTENTS Page 1.0 INTRODUCTION ...... .... ......................... 1 1.1 BACKGROUND ...... ......................... I 1.2...andJ/or Dit Special t -. V 1 atI J. S. LEE ASSOCIATES, INC. -S TABLE OF CONTENTS (Cont.) . - Page 2.2 ERROR PROBA3ILITY FORMULATION .5

Graphical Tools for Situational Awareness Assistance for Large Battle Spaces

DTIC Science & Technology

1993-12-01

By Brian B. Soltz Di:t ibJt.on I Captain, USAF Ava;iabitIty Gc Avail P., dior Dist Sp~ c al December 1993 A ___ =vrC irALs...that made integrating my system simple and straight forward. There are also a number of other people who I would like to thank for their support and...32 2.4.3 Use of Weights as Applied to Fuzzy Rules .................... 34 2.4.4 Implementation of a Feedback Controller ...................... 35

Intelligence and Electronic Warfare (IEW) Streamlining Project. Volume 1. Sustainment Analysis Report. Revision

DTIC Science & Technology

1992-10-30

I Sustainment Analysis Report Accesion For NTIS CRA&I DTIC 1 AP- U. an-;o u,ced [] jj ~~~Y INSPECTED 5 Js~~~o By.......... ............ Dit Ib ’tiot...ELECTRONIC WARFARE (1EW) STREAMUNING PROJECT Vohune I Sustainment Analysis Report Revised October 30, 1992 93-29047 The views, opinions, and findings...Streamlining Project, C OPM-91-2964 Volume I, Sustainment Analysis Report PR 02TO2K 6. AUTHORIS) David P. Nicholas, Robert E. Klebo. Wolodymyr J. Mokey

Efficient Optical Logic, Interconnections and Processing Using Quantum Confined Structures

DTIC Science & Technology

1993-05-20

mnounced D ELECTE j LL.,iicEtion ......... -..................- JUN 14 1993 B y .. . ........ . . . . . .. Di~t ibution l Availability Codes Avail...coefficient of rt( b ) and power reflectivity of RT( B )=lrt( b )12 , viewed from the cavity. RB>RT is used in the design. Written in terms of the power...reflectivities, the total power reflectivity from the Fabry-Perot is given by: p lf-RT. R-f-• B exp(-.al)1 2 I ~ ~l .•RTRBeXp(._C.)j2 Assuming RB=0.97, Figure

The Software Engineering Prototype.

DTIC Science & Technology

1983-06-01

34. sThis cnly means that the ’claim’, i.e., "accepted wisdcu" in systems design, was set up as the aiternative to the hypcthesis, in accord with tra dit ion...conflict and its resolution are m~~lyto occur when users can exercise their influence 4n the levelc2- inert prcezss. Ccnflict 4itsslY os snotr lead...the traditional method of software de- velopment often has poor results. Recently, a new approach to software development, the prototype approach

Ronald McDonald dit: "Tout le monde connait: 'Deuxsteakshachessaucespecialesaladefromageoignons dansuntriplepainrondrecouvertdegrainsdesesames'" (Ronald McDonald Says: "Everyone Knows: 'Two-All-Beef-Patties-Special-Sauce-Lettuce-Cheese-Pickles- Onions-on-a-Sesame-Seed Bun'").

ERIC Educational Resources Information Center

Headrick, Robert J., Jr.

This booklet is intended for classroom use in first-year high school French to acquaint students with the McDonald's fast food restaurants in Paris. The specific objectives are for the student to: (1) discuss the similarities and differences between the American and Parisian McDonald's, (2) set up a miniature McDonald's in the classroom, (3) order…

Selection of a Method for the Measurement of the Protection Factor in the Field (Selectie van een methode voor de meting van de gasmaskerprotectiefactor te velde)

DTIC Science & Technology

1998-06-01

deeltjes in het masker, de luclitwegen of de detector worden protectiefactoren gevonden die in het algemneen te optimistisch zijn [11, 12]. De gevonden...zijn wel te relateren aan bepaalde activiteiten. 4.2.2 Natuurlijk atmosferisch stof Door de firma TSI is een apparaat ontwikkeld (Portacount) dat...onderdruk afnemen [5]. Door de firma Dynatech Nevada (USA) wordt een apparaat geproduceerd dat van dit principe gebruikmaakt. Het apparaat is voorzien

Conference Proceedings of the Guidance and Control of Unmanned Air Vehicles

DTIC Science & Technology

1989-08-01

FRANCE - RESUME Pour l’attaque adrienne d’objectifs terrestres de valeur (piste d’arodrome, pont, concentration de blindds ... ), le concept d’un...le systdme de localisation GPS/NAVSTAR, - les systdmes dits " terrestres " * Altimntre. * Senseur cartographique (radar ou optique). 2.3 Solution pr...55-4 Figunre 3: Miuirtarized Configuration of (;round Station MIain C omputer LOCALWJM .UA TWC-MELG"^ALN VDE h AAM APPL$CA1ONI 42 "’RA E SItIAL

Inventory of Simulation and Modeling for the Analysis of Ground Manoeuvre Performance (inventarisatie van vragen en modellen voor de analyse van het grondgebonden optreden)

DTIC Science & Technology

2006-04-01

uitvoeren, en hoe lang men deze operaties wit kunnen voortzetten. Deze vragen zijn niet binnen AGO te beantwoorden, mawr de antwoorden op deze vragen...Bovenstaande modellen zijn allen in gebruik bij DSTL. Daarnaast beschikt de DGD&D over een eigen wargame (MINERVA) waarmee men seminars ten beboeve van...gemnodelleerd. Zo zijn er voor de afzonderlijke tanks geen vuursectoren gemodelleerd waarbinnen men terugvuurt. Dit kan in de toekomnst wel verder

VLSI Design, Parallel Computation and Distributed Computing

DTIC Science & Technology

1991-09-30

I U1 TA 3 Daniel Mleitman U. : C ..( -_. .. .s .. . . . . Tom Leighton David Shmoys . ........A ,~i ;.t , 77 Michael Sipser , Di.,t a-., Eva Tardos...Leighton and Plaxton on the construction of a sim- ple c log .- depth circuit (where c < 7.5) that sorts a random permutation with very high probability...puting iPOD( ). Aug-ust 1992. Vancouver. British Columbia (to appear). 20. B 1Xti~ c .. U(.ii. 1. Gopal. M. [Kaplan and S. Kutten, "Distributed Control for

Generiek Materieellogistiek Ketenmodel Defensie (Generic Value Chain Model for Defense Material Organization)

DTIC Science & Technology

2008-04-01

Fe:~& 2/121 Generiek Materieellogistiek Ketenmodel Defensie In het kader van het programma DEM (V4 11 ) is in dit project het Generiek...de osrneljewadKete vanefPorter odnasmlti emgn e vroe mmltiemdee nt TNO-rapport ITNO-DV 2007 A449 9 /21 Als laatste valt bet ontbreken van een eenduidig...DV 2007 A449 11 /21 Zoals in de Defensie waardeketen valt te zien, is de uiteindelijke waarde die de Matlog keten oplevert, Materidle Gereedheid

42 CFR 505.5 - Loan criteria.

Code of Federal Regulations, 2012 CFR

2012-10-01

... that meet the following criteria: (1) The hospital is located in a State that, based on population density, is defined as a rural State. A rural State is one of ten States with the lowest population... prioritized beginning with the State with the lowest population density. Population density is determined...

42 CFR 505.5 - Loan criteria.

Code of Federal Regulations, 2013 CFR

2013-10-01

... that meet the following criteria: (1) The hospital is located in a State that, based on population density, is defined as a rural State. A rural State is one of ten States with the lowest population... prioritized beginning with the State with the lowest population density. Population density is determined...

42 CFR 505.5 - Loan criteria.

Code of Federal Regulations, 2014 CFR

2014-10-01

... that meet the following criteria: (1) The hospital is located in a State that, based on population density, is defined as a rural State. A rural State is one of ten States with the lowest population... prioritized beginning with the State with the lowest population density. Population density is determined...

Phenomenological QCD equation of state for massive neutron stars

DOE PAGES

Kojo, Toru; Powell, Philip D.; Song, Yifan; ...

2015-02-03

Here, we construct an equation of state for massive neutron stars based on quantum chromodynamics phenomenology. Our primary purpose is to delineate the relevant ingredients of equations of state that simultaneously have the required stiffness and satisfy constraints from thermodynamics and causality. These ingredients are (i) a repulsive density-density interaction, universal for all flavors, (ii) the color-magnetic interaction active from low to high densities, (iii) confining effects, which become increasingly important as the baryon density decreases, and (iv) nonperturbative gluons, which are not very sensitive to changes of the quark density. We use the following “3-window” description: At baryon densitiesmore » below about twice normal nuclear density, 2n 0, we use the Akmal-Pandharipande-Ravenhall (APR) equation of state, and at high densities, ≥(4–7)n 0, we use the three-flavor Nambu-Jona-Lasinio (NJL) model supplemented by vector and diquark interactions. In the transition density region, we smoothly interpolate the hadronic and quark equations of state in the chemical potential-pressure plane. Requiring that the equation of state approach APR at low densities, we find that the quark pressure in nonconfining models can be larger than the hadronic pressure, unlike in conventional equations of state. We show that consistent equations of state of stiffness sufficient to allow massive neutron stars are reasonably tightly constrained, suggesting that gluon dynamics remains nonperturbative even at baryon densities ~10n 0.« less

Effect of wetting-layer density of states on the gain and phase recovery dynamics of quantum-dot semiconductor optical amplifiers

NASA Astrophysics Data System (ADS)

Kim, Jungho; Yu, Bong-Ahn

2015-03-01

We numerically investigate the effect of the wetting-layer (WL) density of states on the gain and phase recovery dynamics of quantum-dot semiconductor optical amplifiers in both electrical and optical pumping schemes by solving 1088 coupled rate equations. The temporal variations of the ultrafast gain and phase recovery responses at the ground state (GS) are calculated as a function of the WL density of states. The ultrafast gain recovery responses do not significantly depend on the WL density of states in the electrical pumping scheme and the three optical pumping schemes such as the optical pumping to the WL, the optical pumping to the excited state ensemble, and the optical pumping to the GS ensemble. The ultrafast phase recovery responses are also not significantly affected by the WL density of states except the optical pumping to the WL, where the phase recovery component caused by the WL becomes slowed down as the WL density of states increases.

Development of a moral judgment measure for veterinary education.

PubMed

Verrinder, Joy M; Phillips, Clive J C

2014-01-01

Veterinarians increasingly face animal ethics issues, conflicts, and dilemmas, both in practice and in policy, such as the tension between clients' and animals' interests. Little has been done to measure the capacity of veterinarians to make ethical judgments to prevent and address these issues or to identify the effectiveness of strategies to build this capacity. The objectives of this study were, first, to develop a test to identify the capacity of veterinarians to make ethical decisions in relation to animal ethics issues and, second, to assess students' perceptions of the usefulness of three methods for the development of ethical decision making. The Veterinary Defining Issues Test (VetDIT) was piloted with 88 first-year veterinary students at an Australian university. The veterinary students were at a variety of reasoning stages in their use of the Personal Interest (PI), Maintaining Norms (MN), and Universal Principles (UP) reasoning methods in relation to both human ethics and animal ethics issues and operated at a higher level of reasoning for animal than human ethics. Thirty-eight students assessed three methods for developing ethical decision-making skills and identified these as being helpful in clarifying their positions, clarifying others' positions, increasing awareness of the complexity of making ethical decisions, using ethical frameworks and principles, and improving moral reasoning skills, with two methods identified as most helpful. These methods and the VetDIT have the potential to be used as tools for development and assessment of moral judgment in veterinary education to address animal ethics issues.

Developmental immunotoxicity of chemicals in rodents and its possible regulatory impact.

PubMed

Hessel, Ellen V S; Tonk, Elisa C M; Bos, Peter M J; van Loveren, Henk; Piersma, Aldert H

2015-01-01

Around 25% of the children in developed countries are affected with immune-based diseases. Juvenile onset diseases such as allergic, inflammatory and autoimmune diseases have shown increasing prevalences in the last decades. The role of chemical exposures in these phenomena is unclear. It is thought that the developmental immune system is more susceptible to toxicants than the mature situation. Developmental immunotoxicity (DIT) testing is nowadays not or minimally included in regulatory toxicology requirements. We reviewed whether developmental immune parameters in rodents would provide relatively sensitive endpoints of toxicity, whose inclusion in regulatory toxicity testing might improve hazard identification and risk assessment of chemicals. For each of the nine reviewed toxicants, the developing immune system was found to be at least as sensitive or more sensitive than the general (developmental) toxicity parameters. Functional immune (antigen-challenged) parameters appear more affected than structural (non-challenged) immune parameters. Especially, antibody responses to immune challenges with keyhole limpet hemocyanine or sheep red blood cells and delayed-type hypersensitivity responses appear to provide sensitive parameters of developmental immune toxicity. Comparison with current tolerable daily intakes (TDI) and their underlying overall no observed adverse effect levels showed that for some of the compounds reviewed, the TDI may need reconsideration based on developmental immune parameters. From these data, it can be concluded that the developing immune system is very sensitive to the disruption of toxicants independent of study design. Consideration of including functional DIT parameters in current hazard identification guidelines and wider application of relevant study protocols is warranted.

Quantum Entanglement and Reduced Density Matrices

NASA Astrophysics Data System (ADS)

Purwanto, Agus; Sukamto, Heru; Yuwana, Lila

2018-05-01

We investigate entanglement and separability criteria of multipartite (n-partite) state by examining ranks of its reduced density matrices. Firstly, we construct the general formula to determine the criterion. A rank of origin density matrix always equals one, meanwhile ranks of reduced matrices have various ranks. Next, separability and entanglement criterion of multipartite is determined by calculating ranks of reduced density matrices. In this article we diversify multipartite state criteria into completely entangled state, completely separable state, and compound state, i.e. sub-entangled state and sub-entangledseparable state. Furthermore, we also shorten the calculation proposed by the previous research to determine separability of multipartite state and expand the methods to be able to differ multipartite state based on criteria above.

Hydrogen density of states and defects densities in a-Si:H

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

Deane, S.C.; Powell, M.J.; Robertson, J.

1996-12-31

The properties of hydrogenated amorphous silicon (a-Si:H) and its devices depend fundamentally on the density of states (DOS) in the gap due to dangling bonds. It is generally believed that the density of dangling bonds is controlled by a chemical equilibrium with the weak Si-Si bonds which form the localized valence band tail states. Further details are given of a unified model of the hydrogen density of states and defect pool of a-Si:H. The model is compared to other defect models and extended to describe a-Si alloys and the creation of valence band tail states during growth.

Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer.

PubMed

Ghosh, Soumen; Sonnenberger, Andrew L; Hoyer, Chad E; Truhlar, Donald G; Gagliardi, Laura

2015-08-11

The correct description of charge transfer in ground and excited states is very important for molecular interactions, photochemistry, electrochemistry, and charge transport, but it is very challenging for Kohn-Sham (KS) density functional theory (DFT). KS-DFT exchange-correlation functionals without nonlocal exchange fail to describe both ground- and excited-state charge transfer properly. We have recently proposed a theory called multiconfiguration pair-density functional theory (MC-PDFT), which is based on a combination of multiconfiguration wave function theory with a new type of density functional called an on-top density functional. Here we have used MC-PDFT to study challenging ground- and excited-state charge-transfer processes by using on-top density functionals obtained by translating KS exchange-correlation functionals. For ground-state charge transfer, MC-PDFT performs better than either the PBE exchange-correlation functional or CASPT2 wave function theory. For excited-state charge transfer, MC-PDFT (unlike KS-DFT) shows qualitatively correct behavior at long-range with great improvement in predicted excitation energies.

Problems of Air Defense - and - Appedicies. Volumes I-III

DTIC Science & Technology

1951-08-01

have tee3.essarily involved sctiutiny of isuch areas as Fleet problems ancd air defense of forward bases, the major emphasisuof the study has been on ...identification procedures, in the period until the first attack, is that taey be pePrf ect to anout one : case in .100,000 in dits ’not_- friend fromn...t oniust dietto its alternaite ai-rporlt. Mn any case , "’ilthin. a sotinterva1 ^4 C t týuv I (a pendimt on the speed of data Process~ig - erh-ns

Proceedings Papers of the AFSC (Air Force Systems Command) Avionics Standardization Conference (2nd) Held at Dayton, Ohio on 30 November-2 December 1982. Volume 3. Embedded Computer Resources Governing Documents.

DTIC Science & Technology

1982-11-01

ment, S,(1rct se’lection, design reviews, au- forwarded to HQ USAF/RDM. dits. valiatin.verification (of computer prgrams s), testinr, ani acceptance...Development phases of the system acquisition in order to prevent duplication. (7) Test planning during the production and post deployment phase will be designed...response to AIRTASKS will be idcntificd in the SLCL to prevent duplication and permit disseninacion of the total information available, concerning the

Report of the Hydrographic Service Royal Australian Navy for the Year ended 30th June 1985, Issue Number 21.

DTIC Science & Technology

1985-01-01

Mapping Council which will be held in October 1985. IJS. COMPTONAPTAIN RAN HYDROGRAPHER RAN Accesion For NTIS -CRAMI LDrIC TAB U,.annournced 0 J ...itifcation By .-........ . Di.. t ibution Availability Codes Dit Avail ar-.I or A-1 QUALITYSSPECTED - 2 L. 2. GENERAL The RAN Hydrographic Service, the...FLINDERS used Side Scan Sonar and her diving team to find, and determine the least depths over, the wrecks SAFARI and ERICA J lying on the sea-bed in the

IEEE Workshop on Real-Time Operating Systems (8th) Held in Atlanta, Georgia on 15-17 May 1991

DTIC Science & Technology

1992-01-01

and sug- posiur, pages 259-169. !988. gestions in earlier drafts of this paper. [12] L. Sha. J. Lehoczky, and R. Rajkumar. Solutions for some...Telecomunicacion, * j Ciudad Universitaria , E-28040 Madrid, Spain, jpuente@dit.upm.es, Tel:(34-1)3367342, Fax: (34-1)5432077. I Donner, Marc, IBM Research, P.O...Telecomunicacion Ciudad Universitaria E-28040 Madrid SPANJE Dear Juan, Enclosed please find the Final Report on the 17th IFAC/IFIP Workshop on Real Time Programming

Synthesis of N-formyl-3,4-di-t-butoxycarbonyloxy-6(trimethylstannyl)-L-phenylalanine ethyl ester and its regioselective radiofluorodestannylation to 6-[{sup 18}F]fluoro-1-dopa

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

Satyamurthy, N.; Barrio, J.R.; Bishop, A.J.

A process is revealed for forming a 6-fluoro derivative of compounds in the L-Dopa family comprising the steps of protecting the groups attached to the benzene ring in the compound followed by serially reacting the protected compound with (a) iodine and silver trifluoroacetic acid; (b) Bb{sub 3}; (c) dit-butyldicarbonate; (d) hexamethyltin; (e) a fluoro compound; (f) hydrobromic acid; and (g) raising the pH to {<=}7. 1 fig.

Nonequilibrium Superconductivity in Optically Illuminated Tunnel Junctions.

DTIC Science & Technology

1980-08-01

SMITH 0 OI77C-0085 UNCLASSIFIED TR-17 MLN1., rnunnununu Cnrs 661 1 -- OSLEV Iff lee of Naval Research Contract 100014-75-C-0848 NR -372-012 National...Thermoelectric Current SQUID Circuit Fiber Optics 20. ABSTRACT (Continue an reverse sde Ii nec.*eary wid Identify by block number ) Results of a series of ...experiments. AC~~31flFor tA _C N~D 1 .8. Un Dit- vcial Unclassified SECURITY CLASSIFICATION OF TmIS PAGEthsan Data £nred II Ofie of Naval Research ContracT

Synthesis of N-formyl-3,4-di-t-butoxycarbonyloxy-6(trimethylstannyl)-L-phenylalanine ethyl ester and its regioselective radiofluorodestannylation to 6-[{sup 18}F]fluoro-1-dopa

DOEpatents

Satyamurthy, N.; Barrio, J.R.; Bishop, A.J.; Namavari, M.; Bida, G.T.

1996-04-23

A process is revealed for forming a 6-fluoro derivative of compounds in the L-Dopa family comprising the steps of protecting the groups attached to the benzene ring in the compound followed by serially reacting the protected compound with (a) iodine and silver trifluoroacetic acid; (b) Bb{sub 3}; (c) dit-butyldicarbonate; (d) hexamethyltin; (e) a fluoro compound; (f) hydrobromic acid; and (g) raising the pH to {<=}7. 1 fig.

Synthesis of N-formyl-3,4-di-t-butoxycarbonyloxy-6-(trimethylstannyl)-L-phenylalanine ethyl ester and its regioselective radiofluorodestannylation to 6- .sup.18 F!fluoro-1-dopa

DOEpatents

Satyamurthy, Nagichettiar; Barrio, Jorge R.; Bishop, Allyson J.; Namavari, Mohammad; Bida, Gerald T.

1996-01-01

A process for forming a 6-fluoro derivative of compounds in the L-Dopa family comprising the steps of protecting the groups attached to the benzene ring in the compound followed by serially reacting the protected compound with (a) iodine and silver trifluoroacetic acid; (b) Bb.sub.3 ; (c) dit-butyldicarbonate; (d) hexamethyltin; (e) a fluoro compound; (f) hydrobromic acid; and (g) raising the pH to .ltoreq.7.

Acquisition Research Topics Catalog.

DTIC Science & Technology

1981-01-01

AD-AG98 929 AIR FORCE BUSINESS RESEARCH MANAGEMENT CENTER WRIGHT--ETC F/S 5/1 1981ACQUISITION RESEARCH TOPICS CATALOG.(U) I UNCLASSIFIED NL I EEL...kELECTE MAY 14 1981 uoAIR FORCE BUSINESS RESEARCH MANAGEMENT CENTERI Wright-Patterson Air Force Base, Ohio 45433- ’ ’jCH MA G’ A rs l "-DIT.’u7 I ST AMEN’T...A /, App --vA fc, piibli release; I. . . ’li iLl :i ’.n: ix~lited *1,.: THE AIR FORCE BUSINESS RESEARCH MANAGEMENT CENTER WRIGHT-PATTERSON AIR FORCE

Evaluatie Kennistechnologische Ondersteuning bij Diagnose van SEWACO systemen (Projectmanagementplan) (Evaluation of Knowledge Technological Support for Diagnosis of SEWACO Systems (Project Management Plan)

DTIC Science & Technology

1991-08-01

diagnos van SE WACO systmnen/ AD-A245 424111 1fl1,l Niets uit deze uitgave mag warden vermenigvuldligd en/of oPenbaar gemaakt door middel van druk...fotakopie. microfilm of op welks andere whlze dan ook, zonder voorafgaande toeslemming van TNO. Hot ter inzage geven van het TNO-rapport aan direct...belanghebbenden is tegestaan. HYP. vanl OC dt Indian dit rapport in opdracht ward uitgebracht, wordt voor de, rechten en verpiichtingen van opdrachtgever en

Expeditionair Geneeskundige Uitrustingen. De Conceptmethode Toegepast op de Mercedes Benz Ziekenauto (Expeditionary Medical Kits. The Concept Method Applied to the Mercedes Benz Ambulance)

DTIC Science & Technology

2007-02-01

Wtar D.S. Gerretse 6/8 Projectbegeleider Defensie Centraal Militair Hospitaal t.a.v. kol. M.L. Vervelde 9 / 11 Bibliotheek KMA 12/13 Programmaleider TNO...Research Kampweg 5 Postbus 23 3769 ZG Soesterberg TNO-rapport wwton T 034 635 62 11 TNO-DV 2006 A487 F 034 635 39 77 info-DenV@tnonI Expeditionair...verschillende gebruikerssessies met AMV’ers en Probleernstelfing Dit heefi gevolgen voor de medische chauffeur/gewondenverzorgers is de nicuwe Het inzetprofiel

Inequalities in Specialist Hand Surgeon Distribution across the United States.

PubMed

Rios-Diaz, Arturo J; Metcalfe, David; Singh, Mansher; Zogg, Cheryl K; Olufajo, Olubode A; Ramos, Margarita S; Caterson, Edward J; Talbot, Simon G

2016-05-01

Unequal access to hospital specialists for emergency care is an issue in the United States. The authors sought to describe the geographic distribution of specialist hand surgeons and associated factors in the United States. Geographic distributions of surgeons holding a Subspecialty Certificate in Surgery of the Hand and hand surgery fellowship positions were identified from the American Board of Medical Specialties Database and the literature (2013), respectively. State-level population and per capita income were ascertained using U.S. Census data. Variations in hand trauma admissions were determined using Healthcare Cost and Utilization Project national/state inpatient databases. Risk-adjusted generalized linear models were used to assess independent association between hand surgeon density and hand trauma admission density, fellowship position density, and per capita income. Among 2019 specialist hand surgeons identified, 72.1 percent were orthopedic surgeons, 18.3 percent were plastic surgeons, and 9.6 percent were general surgeons. There were 157 hand surgery fellowship positions nationwide. There were 149,295 annual hand trauma admissions. The national density of specialist hand surgeons and density of trauma admission were 0.6 and 47.6, respectively. The density of specialist hand surgeons varied significantly between states. State-level variations in density of surgeons were independent and significantly associated with median per capita income (p < 0.001) and with density of fellowships (p = 0.014). Specialist hand surgeons are distributed unevenly across the United States. State-level analyses suggest that states with lower per capita incomes may be particularly underserved, which may contribute to regional disparities in access to emergency hand trauma care.

Openly Published Environmental Sensing (OPEnS) | Advancing Open-Source Research, Instrumentation, and Dissemination

NASA Astrophysics Data System (ADS)

Udell, C.; Selker, J. S.

2017-12-01

The increasing availability and functionality of Open-Source software and hardware along with 3D printing, low-cost electronics, and proliferation of open-access resources for learning rapid prototyping are contributing to fundamental transformations and new technologies in environmental sensing. These tools invite reevaluation of time-tested methodologies and devices toward more efficient, reusable, and inexpensive alternatives. Building upon Open-Source design facilitates community engagement and invites a Do-It-Together (DIT) collaborative framework for research where solutions to complex problems may be crowd-sourced. However, barriers persist that prevent researchers from taking advantage of the capabilities afforded by open-source software, hardware, and rapid prototyping. Some of these include: requisite technical skillsets, knowledge of equipment capabilities, identifying inexpensive sources for materials, money, space, and time. A university MAKER space staffed by engineering students to assist researchers is one proposed solution to overcome many of these obstacles. This presentation investigates the unique capabilities the USDA-funded Openly Published Environmental Sensing (OPEnS) Lab affords researchers, within Oregon State and internationally, and the unique functions these types of initiatives support at the intersection of MAKER spaces, Open-Source academic research, and open-access dissemination.

Uncovering the density of nanowire surface trap states hidden in the transient photoconductance.

PubMed

Xu, Qiang; Dan, Yaping

2016-09-21

The gain of nanoscale photoconductors is closely correlated with surface trap states. Mapping out the density of surface trap states in the semiconductor bandgap is crucial for engineering the performance of nanoscale photoconductors. Traditional capacitive techniques for the measurement of surface trap states are not readily applicable to nanoscale devices. Here, we demonstrate a simple technique to extract the information on the density of surface trap states hidden in the transient photoconductance that is widely observed. With this method, we found that the density of surface trap states of a single silicon nanowire is ∼10(12) cm(-2) eV(-1) around the middle of the upper half bandgap.

III-V compound semiconductor growth on silicon via germanium buffer and surface passivation for CMOS technology

NASA Astrophysics Data System (ADS)

Choi, Donghun

Integration of III-V compound semiconductors on silicon substrates has recently received much attention for the development of optoelectronic and high speed electronic devices. However, it is well known that there are some key challenges for the realization of III-V device fabrication on Si substrates: (i) the large lattice mismatch (in case of GaAs: 4.1%), and (ii) the formation of antiphase domain (APD) due to the polar compound semiconductor growth on non-polar elemental structure. Besides these growth issues, the lack of a useful surface passivation technology for compound semiconductors has precluded development of metal-oxide-semiconductor (MOS) devices and causes high surface recombination parasitics in scaled devices. This work demonstrates the growth of high quality III-V materials on Si via an intermediate Ge buffer layer and some surface passivation methods to reduce interface defect density for the fabrication of MOS devices. The initial goal was to achieve both low threading dislocation density (TDD) and low surface roughness on Ge-on-Si heterostructure growth. This was achieved by repeating a deposition-annealing cycle consisting of low temperature deposition + high temperature-high rate deposition + high temperature hydrogen annealing, using reduced-pressure chemical-vapor deposition (CVD). We then grew III-V materials on the Ge/Si virtual substrates using molecular-beam epitaxy (MBE). The relationship between initial Ge surface configuration and antiphase boundary formation was investigated using surface reflection high-energy electron diffraction (RHEED) patterns and atomic force microscopy (AFM) image analysis. In addition, some MBE growth techniques, such as migration enhanced epitaxy (MEE) and low temperature GaAs growth, were adopted to improve surface roughness and solve the Ge self-doping problem. Finally, an Al2O3 gate oxide layer was deposited using atomic-layer-deposition (ALD) system after HCl native oxide etching and ALD in-situ pre-annealing at 400 °C. A 100 nm thick aluminum layer was deposited to form the gate contact for a MOS device fabrication. C-V measurement results show very small frequency dispersion and 200-300 mV hysteresis, comparable to our best results for InGaAs/GaAs MOS structures on GaAs substrate. Most notably, the quasi-static C-V curve demonstrates clear inversion layer formation. I-V curves show a reasonable leakage current level. The inferred midgap interface state density, Dit, of 2.4 x 1012 eV-1cm-2 was calculated by combined high-low frequency capacitance method. In addition, we investigated the interface properties of amorphous LaAlO 3/GaAs MOS capacitors fabricated on GaAs substrate. The surface was protected during sample transfer between III-V and oxide molecular beam deposition (MBD) chambers by a thick arsenic-capping layer. An annealing method, a low temperature-short time RTA followed by a high temperature RTA, was developed, yielding extremely small hysteresis (˜ 30 mV), frequency dispersion (˜ 60 mV), and interface trap density (mid 1010 eV-1cm -2). We used capacitance-voltage (C-V) and current-voltage (I-V) measurements for electrical characterization of MOS devices, tapping-mode AFM for surface morphology analysis, X-ray photoelectron spectroscopy (XPS) for chemical elements analysis of interface, cross section transmission-electron microscopy (TEM), X-ray diffraction (XRD), secondary ion mass spectrometry (SIMS), and photoluminescence (PL) measurement for film quality characterization. This successful growth and appropriate surface treatments of III-V materials provides a first step for the fabrication of III-V optical and electrical devices on the same Si-based electronic circuits.

Single-particle energies and density of states in density functional theory

NASA Astrophysics Data System (ADS)

van Aggelen, H.; Chan, G. K.-L.

2015-07-01

Time-dependent density functional theory (TD-DFT) is commonly used as the foundation to obtain neutral excited states and transition weights in DFT, but does not allow direct access to density of states and single-particle energies, i.e. ionisation energies and electron affinities. Here we show that by extending TD-DFT to a superfluid formulation, which involves operators that break particle-number symmetry, we can obtain the density of states and single-particle energies from the poles of an appropriate superfluid response function. The standard Kohn- Sham eigenvalues emerge as the adiabatic limit of the superfluid response under the assumption that the exchange- correlation functional has no dependence on the superfluid density. The Kohn- Sham eigenvalues can thus be interpreted as approximations to the ionisation energies and electron affinities. Beyond this approximation, the formalism provides an incentive for creating a new class of density functionals specifically targeted at accurate single-particle eigenvalues and bandgaps.

Automated detection of inaccurate and imprecise transitions in peptide quantification by multiple reaction monitoring mass spectrometry.

PubMed

Abbatiello, Susan E; Mani, D R; Keshishian, Hasmik; Carr, Steven A

2010-02-01

Multiple reaction monitoring mass spectrometry (MRM-MS) of peptides with stable isotope-labeled internal standards (SISs) is increasingly being used to develop quantitative assays for proteins in complex biological matrices. These assays can be highly precise and quantitative, but the frequent occurrence of interferences requires that MRM-MS data be manually reviewed, a time-intensive process subject to human error. We developed an algorithm that identifies inaccurate transition data based on the presence of interfering signal or inconsistent recovery among replicate samples. The algorithm objectively evaluates MRM-MS data with 2 orthogonal approaches. First, it compares the relative product ion intensities of the analyte peptide to those of the SIS peptide and uses a t-test to determine if they are significantly different. A CV is then calculated from the ratio of the analyte peak area to the SIS peak area from the sample replicates. The algorithm identified problematic transitions and achieved accuracies of 94%-100%, with a sensitivity and specificity of 83%-100% for correct identification of errant transitions. The algorithm was robust when challenged with multiple types of interferences and problematic transitions. This algorithm for automated detection of inaccurate and imprecise transitions (AuDIT) in MRM-MS data reduces the time required for manual and subjective inspection of data, improves the overall accuracy of data analysis, and is easily implemented into the standard data-analysis work flow. AuDIT currently works with results exported from MRM-MS data-processing software packages and may be implemented as an analysis tool within such software.

Automated Detection of Inaccurate and Imprecise Transitions in Peptide Quantification by Multiple Reaction Monitoring Mass Spectrometry

PubMed Central

Abbatiello, Susan E.; Mani, D. R.; Keshishian, Hasmik; Carr, Steven A.

2010-01-01

BACKGROUND Multiple reaction monitoring mass spectrometry (MRM-MS) of peptides with stable isotope–labeled internal standards (SISs) is increasingly being used to develop quantitative assays for proteins in complex biological matrices. These assays can be highly precise and quantitative, but the frequent occurrence of interferences requires that MRM-MS data be manually reviewed, a time-intensive process subject to human error. We developed an algorithm that identifies inaccurate transition data based on the presence of interfering signal or inconsistent recovery among replicate samples. METHODS The algorithm objectively evaluates MRM-MS data with 2 orthogonal approaches. First, it compares the relative product ion intensities of the analyte peptide to those of the SIS peptide and uses a t-test to determine if they are significantly different. A CV is then calculated from the ratio of the analyte peak area to the SIS peak area from the sample replicates. RESULTS The algorithm identified problematic transitions and achieved accuracies of 94%–100%, with a sensitivity and specificity of 83%–100% for correct identification of errant transitions. The algorithm was robust when challenged with multiple types of interferences and problematic transitions. CONCLUSIONS This algorithm for automated detection of inaccurate and imprecise transitions (AuDIT) in MRM-MS data reduces the time required for manual and subjective inspection of data, improves the overall accuracy of data analysis, and is easily implemented into the standard data-analysis work flow. AuDIT currently works with results exported from MRM-MS data-processing software packages and may be implemented as an analysis tool within such software. PMID:20022980

Value systems among adolescents: Novel method for assessing level of ego-development.

PubMed

Kjellström, Sofia; Sjölander, Per; Almers, Ellen; Mccall, Mary E

2017-04-01

Children's value systems develop through youth and influence attitudes and actions. But there is a lack of appropriate measures for children and adolescents. The objective of this study was to construct and validate a questionnaire that reveals distinct value systems among adolescents, and to evaluate the identified value systems' relationship to degree of ego-development and moral development. A quantitative study in a Swedish School with ages 12 through 16 (grades 6 to 9) was performed (N = 204). A set of pattern recognition statistical analyses has been used to identify different profiles of values systems and demonstrate that these systems can be arranged in a hierarchical order similar to other development. Results revealed three value systems in this sample. The identified value systems reflect different degrees of moral and ego-development among children in the study. Three distinct value systems were identified: the first (n = 9) and the second value systems (n = 35) correspond to pre-conventional stages, and the third value system (n = 155) corresponds to early conventional stages of ego development. Ego development scoring of test statements to assess stages. The value system was significantly related to moral development in the personal interest and the maintaining norms schemas of the Defining Issues Test (DIT). However, many students did not complete the entire DIT, so those results should be looked at with caution. It appears that this new test (Test for Adolescent Value Systems - TAVS) does relate to an established ego development rating scale. © 2017 Scandinavian Psychological Associations and John Wiley & Sons Ltd.

Effects of coconut oil consumption on energy metabolism, cardiometabolic risk markers, and appetitive responses in women with excess body fat.

PubMed

Valente, Flávia Xavier; Cândido, Flávia Galvão; Lopes, Lílian Lelis; Dias, Desirrê Morais; Carvalho, Samantha Dalbosco Lins; Pereira, Patrícia Feliciano; Bressan, Josefina

2018-06-01

Virgin coconut oil (VCO) is a medium-chain fatty acid source with popularly attributed benefits on obesity management. However, its role on obesity requires elucidation due to its saturated nature. In the study herein, we investigated acute effects of VCO consumption on energy metabolism, cardiometabolic risk markers, and appetitive responses in women with excess body fat. Fifteen adult women with excess body fat (37.43 ± 0.83%) participated in this randomized, crossover, controlled study. Two isocaloric mixed breakfasts containing 25 mL of VCO or control (extra-virgin olive oil-C) were evaluated. Resting energy expenditure (REE), fat oxidation rate (FOR), diet induced thermogenesis (DIT) and appetitive subjective responses were assessed at fasting and postprandial periods (up to 240 min). Cardiometabolic risk markers were assessed at fasting and up to 180 min postprandially. VCO did not affect REE, FOR, and DIT compared to C. In addition, VCO did not cause deleterious change in triglycerides, total cholesterol, HDL-c, LDL-c, triglycerides/HDL-c ratio, uric acid, glucose and Homeostasis Model Assessment of Insulin Resistance Index (HOMA-IR) (P time×treatment  > 0.05). However, VCO suppressed less hunger (P time×treatment  = 0.003), total satiety (P iAUC  = 0.021) and total fullness (P iAUC  = 0.035) responses than C. VCO consumption did not acutely change energy metabolism and cardiometabolic risk markers when added to a mixed breakfast but promoted less appetitive responses.

The cardioprotective effect of salidroside against myocardial ischemia reperfusion injury in rats by inhibiting apoptosis and inflammation.

PubMed

Zhu, Lingpeng; Wei, Tingting; Gao, Jin; Chang, Xiayun; He, He; Luo, Fen; Zhou, Rui; Ma, Chunhua; Liu, Yu; Yan, Tianhua

2015-11-01

The main purpose of this study was to investigate effect of salidroside (Sal) on myocardial ischemia reperfusion injury in rats and the underlying mechanism. Myocardial ischemia reperfusion injury (MI/RI) model was treated with 30 min of left anterior descending (LAD) occlusion followed by 24 h of reperfusion. The male Sprague-Dawley rats were randomly divided into 7 groups: (1) Sham; (2) Sham + diltiazem (Dit, 10 mg/kg); (3) Sham + Sal (40 mg/kg); (4) I/R; (5) I/R + diltiazem (Dit, 10 mg/kg); (6) I/R + Sal (20 mg/kg); (7) I/R + Sal (40 mg/kg). Sal could ameliorate myocardial ischemia reperfusion injury as evidenced by Histopathological examination and triphenyl tetrazolium chloride (TTC) staining. Moreover, terminal deoxynucleotidyl transferase dUTP nickend labeling (TUNEL) assay demonstrated that Sal suppressed myocardial apoptosis, which may be related to up-regulation of Bcl-2/Bax ratio and inhibition of caspase-3, caspase-9 activation. Pretreatment with Sal affected serum biochemical parameters and cardiac dysfunction compared with I/R group. Sal also attenuated the pro-inflammatory cytokines including tumor necrosis factor-α (TNF-α), interleukin (IL)-1β and IL-6 in serum by inhibiting TLR4/NF-κB signaling pathway. Sal exerts strong favorable cardioprotective function on myocardial I/R injury which may relate to the down-regulation of the TLR4/NF-κB signaling pathway and the inhibition of cell apoptosis.

Ejection of Coulomb Crystals from a Linear Paul Ion Trap for Ion-Molecule Reaction Studies.

PubMed

Meyer, K A E; Pollum, L L; Petralia, L S; Tauschinsky, A; Rennick, C J; Softley, T P; Heazlewood, B R

2015-12-17

Coulomb crystals are being increasingly employed as a highly localized source of cold ions for the study of ion-molecule chemical reactions. To extend the scope of reactions that can be studied in Coulomb crystals-from simple reactions involving laser-cooled atomic ions, to more complex systems where molecular reactants give rise to multiple product channels-sensitive product detection methodologies are required. The use of a digital ion trap (DIT) and a new damped cosine trap (DCT) are described, which facilitate the ejection of Coulomb-crystallized ions onto an external detector for the recording of time-of-flight (TOF) mass spectra. This enables the examination of reaction dynamics and kinetics between Coulomb-crystallized ions and neutral molecules: ionic products are typically cotrapped, thus ejecting the crystal onto an external detector reveals the masses, identities, and quantities of all ionic species at a selected point in the reaction. Two reaction systems are examined: the reaction of Ca(+) with deuterated isotopologues of water, and the charge exchange between cotrapped Xe(+) with deuterated isotopologues of ammonia. These reactions are examples of two distinct types of experiment, the first involving direct reaction of the laser-cooled ions, and the second involving reaction of sympathetically-cooled heavy ions to form a mixture of light product ions. Extensive simulations are conducted to interpret experimental results and calculate optimal operating parameters, facilitating a comparison between the DIT and DCT approaches. The simulations also demonstrate a correlation between crystal shape and image shape on the detector, suggesting a possible means for determining crystal geometry for nonfluorescing ions.

Carrier-density dependence of photoluminescence from localized states in InGaN/GaN quantum wells in nanocolumns and a thin film

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

Shimosako, N., E-mail: n-shimosako@sophia.jp; Inose, Y.; Satoh, H.

2015-11-07

We have measured and analyzed the carrier-density dependence of photoluminescence (PL) spectra and the PL efficiency of InGaN/GaN multiple quantum wells in nanocolumns and in a thin film over a wide excitation range. The localized states parameters, such as the tailing parameter, density and size of the localized states, and the mobility edge density are estimated. The spectral change and reduction of PL efficiency are explained by filling of the localized states and population into the extended states around the mobility edge density. We have also found that the nanocolumns have a narrower distribution of the localized states and amore » higher PL efficiency than those of the film sample although the In composition of the nanocolumns is higher than that of the film.« less

The relative density of forests in the United States

Treesearch

Christopher W. Woodall; Charles H. Perry; Patrick D. Miles

2006-01-01

A relative stand density assessment technique, using the mean specific gravity of all trees in a stand to predict its maximum stand density index (SDI) and subsequently its relative stand density (current SDI divided by maximum SDI), was used to estimate the relative density of forests across the United States using a national-scale forest inventory. Live tree biomass...

Measuring the Density of States of the Inner and Outer Wall of Double-Walled Carbon Nanotubes.

PubMed

Chambers, Benjamin A; Shearer, Cameron J; Yu, LePing; Gibson, Christopher T; Andersson, Gunther G

2018-06-19

The combination of ultraviolet photoelectron spectroscopy and metastable helium induced electron spectroscopy is used to determine the density of states of the inner and outer coaxial carbon nanotubes. Ultraviolet photoelectron spectroscopy typically measures the density of states across the entire carbon nanotube, while metastable helium induced electron spectroscopy measures the density of states of the outermost layer alone. The use of double-walled carbon nanotubes in electronic devices allows for the outer wall to be functionalised whilst the inner wall remains defect free and the density of states is kept intact for electron transport. Separating the information of the inner and outer walls enables development of double-walled carbon nanotubes to be independent, such that the charge transport of the inner wall is maintained and confirmed whilst the outer wall is modified for functional purposes.

Predicting fluctuations-caused regime shifts in a time delayed dynamics of an invading species

NASA Astrophysics Data System (ADS)

Xie, Qingshuang; Wang, Tonghuan; Zeng, Chunhua; Dong, Xiaohui; Guan, Lin

2018-03-01

In this paper, we investigate early warning signals (EWS) of regime shifts in a density-dependent invading population model with time delay, in which the population density is assumed to be disturbed by intrinsic and extrinsic fluctuations. It is shown that the time delay and noises can cause the regime shifts between low and high population density states. The regime shift time (RST) as a function of noise intensity exhibits a maximum, which identifies the signature of the noise-enhanced stability of the low density state, while the time delay weakens the stability of the low density state. Applying the Kramers time technique, we also discuss the intersection point of the RST between low and high population density states, i.e., a critical point in the RST is found. Therefore, the critical point may give an EWS of regime shifts from one alternative state to another one for the changes in the noise parameters and time delay.

Quantum oscillations in a biaxial pair density wave state.

PubMed

Norman, M R; Davis, J C Séamus

2018-05-22

There has been growing speculation that a pair density wave state is a key component of the phenomenology of the pseudogap phase in the cuprates. Recently, direct evidence for such a state has emerged from an analysis of scanning tunneling microscopy data in halos around the vortex cores. By extrapolation, these vortex halos would then overlap at a magnetic-field scale where quantum oscillations have been observed. Here, we show that a biaxial pair density wave state gives a unique description of the quantum oscillation data, bolstering the case that the pseudogap phase in the cuprates may be a pair density wave state. Copyright © 2018 the Author(s). Published by PNAS.

Hybrid-PIC Modeling of the Transport of Atomic Boron in a Hall Thruster

NASA Technical Reports Server (NTRS)

Smith, Brandon D.; Boyd, Iaian D.; Kamhawi, Hani

2015-01-01

Computational analysis of the transport of boron eroded from the walls of a Hall thruster is performed by implementing sputter yields of hexagonal boron nitride and velocity distribution functions of boron within the hybrid-PIC model HPHall. The model is applied to simulate NASA's HiVHAc Hall thruster at a discharge voltage of 500V and discharge powers of 1-3 kW. The number densities of ground- and 4P-state boron are computed. The density of ground-state boron is shown to be a factor of about 30 less than the plasma density. The density of the excited state is shown to be about three orders of magnitude less than that of the ground state, indicating that electron impact excitation does not significantly affect the density of ground-state boron in the discharge channel or near-field plume of a Hall thruster. Comparing the rates of excitation and ionization suggests that ionization has a greater influence on the density of ground-state boron, but is still negligible. The ground-state boron density is then integrated and compared to cavity ring-down spectroscopy (CRDS) measurements for each operating point. The simulation results show good agreement with the measurements for all operating points and provide evidence in support of CRDS as a tool for measuring Hall thruster erosion in situ.

National Program for Inspection of Non-Federal Dams. Monsanto Company Upper Dam (MA 00573), Connecticut River Basin, Springfield, Massachusetts. Phase I Inspection Report.

DTIC Science & Technology

1978-10-01

DAM . * MA 00573 PHASE 1 INSPECTION REPORT NATIONAL DAM INSPECTION PROGRAM 0 V DEPARTMENT OF THE ARMY_ NEW ENGLAND DIVISION, CORPS OF ENGINEERS WALTHAM...ArIhtEN T (c- the 6b4trectenrto I lck 20, It dit.,.et i am Report) !6 5IPPLEMENTARY NOTES (,o ,er program reads: Phase I Inspection Report, National Darn...Inspection Program ; hov.ever, the official title of the program is: National Program for Inspection of lon-Federal Dans:. LISP cover date for date of

Geotechnical Containment Alternatives for Industrial Waste Basin F, Rocky Mountain Arsenal, Denver, Colorado. A quantitative Evaluation

DTIC Science & Technology

1979-09-01

RMA have included the production of GB nerve gas, lewisite, mustard gas, arsenic chloride, anticrop agents , and chlorine - gas, as well as the...fabrication if munitions containing white phosphorus and chemical warfare agents . The demilitarization of GB munitions and mustard-filled munitions and the...i , i iSndy S BLUE of .4 I i i lly G BLOE -GRE ii 0 ir i Grntl C - -- - I WHITE Sh__ O ickeft dit SL ML B~d~ 0 20 40 60 80 too Ovd’ted o LL IOU,O

High Latitude Electron Detectors on Satellite P78-1: Preliminary Data Results.

DTIC Science & Technology

1981-05-04

AOAl04 518 AIR FORCE GEOPHYSICS LAB HANSCOM AFB MA F/6 4/1 HIGH LATITUDE ELECTRON DETECTORS ON SATELLITE P76-1: PRELIMINAR-’ETC CU) MAY al R P...Differential lecitro-n Sportvta 1-tom Bioth1)trt- Taken at (etortcd Geonmiet it latitude 94. 8!’. Southern Ni -htsidv Aut- oral rival. Rev 499 27 17. D...It Mareh 1979 ligure f; shems the trajectory for Rt’v 220, 11 March 197’. "lh s iht ,. enterrs the davside oval neaar (’GM local time 0900 at 10, 9 0.8

The Pattern of Soviet Conduct in the Third World, Review and Preview. Part 2

DTIC Science & Technology

1983-03-07

be quoted or copied without approval from OSD/Net Assessment. Aooession For DTIC TAB El Dit I-’I t Y " c•doi ;Avi.- ± end/or L i :itst I pc l 4•al IA...successcors have stooc, y that cecision. (Moscow odes riot recconioze tnis action.) Alth•cuph revolutionary Iran has i nioroved or estaolisned relations...far nesw tne world rar.et ievel and oepat, repotiaiions for a orice increase of roucniv t0w oercenz. ? y marc- I5d. witm the Soviets’ best otfer stiil

Optimization of the Al2O3/GaSb Interface and a High-Mobility GaSb pMOSFET

DTIC Science & Technology

2011-10-01

explored the use of in situ deposition of Al2O3 on GaSb grown on InP using molecular beam epitaxy and reported Dit values in the low 1012/cm2eV range near...M. Heyns, M. Caymax, and J. Dekoster, “GaSb mole- cular beam epitaxial growth on p-InP(001) and passivation with in situ deposited Al2O3 gate oxide...transmission electron microscopy. Capacitors were made on these films using platinum (Pt) electrode deposited in an e- beam evaporator through a shadow

The Deer Creek Site, Oklahoma: A Wichita Village Sometimes Called Ferdinandina: An Ethnohistorian’s View. Series in Anthropology Number 5

DTIC Science & Technology

1981-01-01

pour le Roi au dit pays et Sur les the Kansas Gateway to the American West, decouvertes et recherches de M. Be’nard de La 1540-1854. Topeka: Kansas...1831 Journal Historique de l’Establissement [1746-471 "Memoires sur la Louisiane," desFrantwii.a la Louisiane. Ed. A.-L. Boimare, BN, Joly de Fleur...Guillaume Boeckmann-Jones Company. 1700 Map titled: L’Am~rique//Septen- trionale//Dressee sur les Observations de Mrs. Cavelier de La Salle, Robert de

Energy Sources for Soldier Modernisation Programme Systems (Overzicht van Ontwikkelingen op het Gebied van Draagbare Energieopslag en Energieopwekking)

DTIC Science & Technology

1999-12-01

9 . http://home.earthlink.net/-fradella/homepage.htm 10. http ://web.mit.edu/aeroastro/www/labs/GTL/research/micro/micro.html 11 . http://www.ecr.co.il...Meijer 7 LAS/DB&P/BO/OB&T taxv. aooi Jansen 8 LAS/DB&PIBO/OB 9 LAS/DB&P/BO/CIV 10 OGMAN/Externe plannen Infanterie 11 DM/C31 12 DM/COM 13 KPU-bedrijf 14...detailed specifications mentioned before. TNO-rapport TNO-MEP - R 99/490 9 van 51 Samenvatting In dit rapport wordt een eerste globale selectie gemaakt: van

Symmetry-broken states in a system of interacting bosons on a two-leg ladder with a uniform Abelian gauge field

NASA Astrophysics Data System (ADS)

Greschner, S.; Piraud, M.; Heidrich-Meisner, F.; McCulloch, I. P.; Schollwöck, U.; Vekua, T.

2016-12-01

We study the quantum phases of bosons with repulsive contact interactions on a two-leg ladder in the presence of a uniform Abelian gauge field. The model realizes many interesting states, including Meissner phases, vortex fluids, vortex lattices, charge density waves, and the biased-ladder phase. Our work focuses on the subset of these states that breaks a discrete symmetry. We use density matrix renormalization group simulations to demonstrate the existence of three vortex-lattice states at different vortex densities and we characterize the phase transitions from these phases into neighboring states. Furthermore, we provide an intuitive explanation of the chiral-current reversal effect that is tied to some of these vortex lattices. We also study a charge-density-wave state that exists at 1/4 particle filling at large interaction strengths and flux values close to half a flux quantum. By changing the system parameters, this state can transition into a completely gapped vortex-lattice Mott-insulating state. We elucidate the stability of these phases against nearest-neighbor interactions on the rungs of the ladder relevant for experimental realizations with a synthetic lattice dimension. A charge-density-wave state at 1/3 particle filling can be stabilized for flux values close to half a flux quantum and for very strong on-site interactions in the presence of strong repulsion on the rungs. Finally, we analytically describe the emergence of these phases in the low-density regime, and, in particular, we obtain the boundaries of the biased-ladder phase, i.e., the phase that features a density imbalance between the legs. We make contact with recent quantum-gas experiments that realized related models and discuss signatures of these quantum states in experimentally accessible observables.

Parametric scaling of neutral and ion excited state densities in an argon helicon source

NASA Astrophysics Data System (ADS)

McCarren, D.; Scime, E.

2016-04-01

We report measurements of the absolute density and temperature of ion and neutral excited states in an argon helicon source. The excited ion state density, which depends on ion density, electron density, and electron temperature, increases sharply with increasing magnetic field in the source. The neutral argon metastable density measurements are consistent with an increasing ionization fraction with increasing magnetic field strength. The ion temperature shows no evidence of increased heating with increasing magnetic field strength (which has only been observed in helicon sources operating at driving frequencies close to the lower hybrid frequency). The measurements were obtained through cavity ring down spectroscopy, a measurement technique that does not require the target excited state to be metastable or part of a fluorescence scheme; and is therefore applicable to any laser accessible atomic or ionic transition in a plasma.

Solid-state diffusion in amorphous zirconolite

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

Yang, C.; Dove, M. T.; Trachenko, K.

2014-11-14

We discuss how structural disorder and amorphization affect solid-state diffusion, and consider zirconolite as a currently important case study. By performing extensive molecular dynamics simulations, we disentangle the effects of amorphization and density, and show that a profound increase of solid-state diffusion takes place as a result of amorphization. Importantly, this can take place at the same density as in the crystal, representing an interesting general insight regarding solid-state diffusion. We find that decreasing the density in the amorphous system increases pre-factors of diffusion constants, but does not change the activation energy in the density range considered. We also findmore » that atomic species in zirconolite are affected differently by amorphization and density change. Our microscopic insights are relevant for understanding how solid-state diffusion changes due to disorder and for building predictive models of operation of materials to be used to encapsulate nuclear waste.« less

Direct Measurement of the Density Matrix of a Quantum System

NASA Astrophysics Data System (ADS)

Thekkadath, G. S.; Giner, L.; Chalich, Y.; Horton, M. J.; Banker, J.; Lundeen, J. S.

2016-09-01

One drawback of conventional quantum state tomography is that it does not readily provide access to single density matrix elements since it requires a global reconstruction. Here, we experimentally demonstrate a scheme that can be used to directly measure individual density matrix elements of general quantum states. The scheme relies on measuring a sequence of three observables, each complementary to the last. The first two measurements are made weak to minimize the disturbance they cause to the state, while the final measurement is strong. We perform this joint measurement on polarized photons in pure and mixed states to directly measure their density matrix. The weak measurements are achieved using two walk-off crystals, each inducing a polarization-dependent spatial shift that couples the spatial and polarization degrees of freedom of the photons. This direct measurement method provides an operational meaning to the density matrix and promises to be especially useful for large dimensional states.

Direct Measurement of the Density Matrix of a Quantum System.

PubMed

Thekkadath, G S; Giner, L; Chalich, Y; Horton, M J; Banker, J; Lundeen, J S

2016-09-16

One drawback of conventional quantum state tomography is that it does not readily provide access to single density matrix elements since it requires a global reconstruction. Here, we experimentally demonstrate a scheme that can be used to directly measure individual density matrix elements of general quantum states. The scheme relies on measuring a sequence of three observables, each complementary to the last. The first two measurements are made weak to minimize the disturbance they cause to the state, while the final measurement is strong. We perform this joint measurement on polarized photons in pure and mixed states to directly measure their density matrix. The weak measurements are achieved using two walk-off crystals, each inducing a polarization-dependent spatial shift that couples the spatial and polarization degrees of freedom of the photons. This direct measurement method provides an operational meaning to the density matrix and promises to be especially useful for large dimensional states.

Clogging and depinning of ballistic active matter systems in disordered media

NASA Astrophysics Data System (ADS)

Reichhardt, C.; Reichhardt, C. J. O.

2018-05-01

We numerically examine ballistic active disks driven through a random obstacle array. Formation of a pinned or clogged state occurs at much lower obstacle densities for the active disks than for passive disks. As a function of obstacle density, we identify several distinct phases including a depinned fluctuating cluster state, a pinned single-cluster or jammed state, a pinned multicluster state, a pinned gel state, and a pinned disordered state. At lower active disk densities, a drifting uniform liquid forms in the absence of obstacles, but when even a small number of obstacles are introduced, the disks organize into a pinned phase-separated cluster state in which clusters nucleate around the obstacles, similar to a wetting phenomenon. We examine how the depinning threshold changes as a function of disk or obstacle density and find a crossover from a collectively pinned cluster state to a disordered plastic depinning transition as a function of increasing obstacle density. We compare this to the behavior of nonballistic active particles and show that as we vary the activity from completely passive to completely ballistic, a clogged phase-separated state appears in both the active and passive limits, while for intermediate activity, a readily flowing liquid state appears and there is an optimal activity level that maximizes the flux through the sample.

Alternative stable states and alternative endstates of community assembly through intra- and interspecific positive and negative interactions.

PubMed

Gerla, Daan J; Mooij, Wolf M

2014-09-01

Positive and negative interactions within and between species may occur simultaneously, with the net effect depending on population densities. For instance, at low densities plants may ameliorate stress, while competition for resources dominates at higher densities. Here, we propose a simple two-species model in which con- and heterospecifics have a positive effect on per capita growth rate at low densities, while negative interactions dominate at high densities. The model thus includes both Allee effects (intraspecific positive effects) and mutualism (interspecific positive effects), as well as intra- and interspecific competition. Using graphical methods we derive conditions for alternative stable states and species coexistence. We show that mutual non-invasibility (i.e. the inability of each species to invade a population of the other) is more likely when species have a strong positive effect on the own species or a strong negative effect on the other species. Mutual non-invasibility implies alternative stable states, however, there may also be alternative stable states at which species coexist. In the case of species symmetry (i.e. when species are indistinguishable), such alternative coexistence states require that if the positive effect exerted at low densities at the own species is stronger than on the other species, the negative effect at higher densities is also stronger on the own species than on the other species, or, vice versa, if the interspecific positive effects at low densities are stronger than the intraspecific effects, the negative effects at higher densities are also stronger between species than within species. However, the reachability of alternative stable states is restricted by the frequency and density at which species are introduced during community assembly, so that alternative stable states do not always represent alternative endstates of community assembly. Copyright © 2014 Elsevier Inc. All rights reserved.

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

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

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

2008-09-15

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

Genesis of charge orders in high temperature superconductors

PubMed Central

Tu, Wei-Lin; Lee, Ting-Kuo

2016-01-01

One of the most puzzling facts about cuprate high-temperature superconductors in the lightly doped regime is the coexistence of uniform superconductivity and/or antiferromagnetism with many low-energy charge-ordered states in a unidirectional charge density wave or a bidirectional checkerboard structure. Recent experiments have discovered that these charge density waves exhibit different symmetries in their intra-unit-cell form factors for different cuprate families. Using a renormalized mean-field theory for a well-known, strongly correlated model of cuprates, we obtain a number of charge-ordered states with nearly degenerate energies without invoking special features of the Fermi surface. All of these self-consistent solutions have a pair density wave intertwined with a charge density wave and sometimes a spin density wave. Most of these states vanish in the underdoped regime, except for one with a large d-form factor that vanishes at approximately 19% doping of the holes, as reported by experiments. Furthermore, these states could be modified to have a global superconducting order, with a nodal-like density of states at low energy. PMID:26732076

The economic impact of state cigarette taxes and smoke-free air policies on convenience stores.

PubMed

Huang, Jidong; Chaloupka, Frank J

2013-03-01

To investigate whether increasing state cigarette taxes and/or enacting stronger smoke-free air (SFA) policies have negative impact on convenience store density in a state, a proxy that is determined by store openings and closings, which reflects store profits. State-level business count estimates for convenience stores for 50 states and District of Columbia from 1997 to 2009 were analysed using two-way fixed effects regression techniques that control for state-specific and year-specific determinants of convenience store density. The impact of tax and SFA policies was examined using a quasi-experimental research design that exploits changes in cigarette taxes and SFA policies within a state over time. Taxes are found to be uncorrelated with the density of combined convenience stores and gas stations in a state. Taxes are positively correlated with the density of convenience stores; however, the magnitude of this correlation is small, with a 10% increase in state cigarette taxes associated with a 0.19% (p<0.05) increase in the number of convenience stores per million people in a state. State-level SFA policies do not correlate with convenience store density in a state, regardless whether gas stations were included. These results are robust across different model specifications. In addition, they are robust with regard to the inclusion/exclusion of other state-level tobacco control measures and gasoline prices. Contrary to tobacco industry and related organisations' claims, higher cigarette taxes and stronger SFA policies do not negatively affect convenience stores.

Control of the recombination time in photoconductive detectors

NASA Astrophysics Data System (ADS)

Pacheco, M. T. T.; Ghizoni, C. C.; Scolari, S. L.

1980-07-01

The current generated at a photoconductive cell depends upon the density of states of the electromagnetic field in the semiconductor film. This density of states is a function of the film geometry and dielectric properties. In this work we demonstrate that, for highly scattering substrate surfaces, which implies in a low density of states, the signal to noise ratio is better than that for smooth surfaces.

Direct Determination of Vibrational Density of States Change on Ligand Binding to a Protein

NASA Astrophysics Data System (ADS)

Balog, Erika; Becker, Torsten; Oettl, Martin; Lechner, Ruep; Daniel, Roy; Finney, John; Smith, Jeremy C.

2004-07-01

The change in the vibrational density of states of a protein (dihydrofolate reductase) on binding a ligand (methotrexate) is determined using inelastic neutron scattering. The vibrations of the complex soften significantly relative to the unbound protein. The resulting free-energy change, which is directly determined by the density of states change, is found to contribute significantly to the binding equilibrium.

Exploring the impact of mindfulness meditation training in pre-licensure and post graduate nurses.

PubMed

Sanko, Jill; Mckay, Mary; Rogers, Scott

2016-10-01

The complex, high stress, technologically laden healthcare environment compromises providers' ability to be fully present in the moment; especially during patient interactions. This "pulling away" of attention (mindlessness) from the present moment creates an environment where decision making can take place in the absence of thoughtful, deliberate engagement in the task at hand. Mindfulness, can be cultivated through a variety of mindfulness practices. Few schools of nursing or hospitals offer mindfulness training, despite study findings supporting its effectiveness in improving levels of mindfulness, and perceived connections with patients and families. A mindfulness program developed for this study and tailored to nursing was used to provide the mindfulness training. Pre and post training assessments were completed and included administration of the Freiburg Mindfulness Inventory (FMI) and the Defining Issues Test (DIT) of moral judgment version 2. A statistically significant improvement in the FMI scores p=0.003 was found. The pre-licensure group did not show a statistically significant improvement in their FMI scores pre to post training (p=0.281), however the post graduate group did (p=0.004). Statistically significant pre - post scores were found in two schemas of the DIT-2 (P [Post conventional] score, p=0.039 and N2 [Maintaining norms] score, p=0.032). Mindfulness training improves mindfulness and some aspects of ethical decision making in the groups studied as part of this project. The findings of this study are promising and further demonstrate the merits of a mindfulness practice, however aspects of mindfulness training would need to be addressed prior to launching a full scale attempt to incorporate this into a work life or some other quality improvement program. Copyright © 2016 Elsevier Ltd. All rights reserved.

Three-Tesla MRI does not improve the diagnosis of multiple sclerosis: A multicenter study.

PubMed

Hagens, Marloes H J; Burggraaff, Jessica; Kilsdonk, Iris D; de Vos, Marlieke L; Cawley, Niamh; Sbardella, Emilia; Andelova, Michaela; Amann, Michael; Lieb, Johanna M; Pantano, Patrizia; Lissenberg-Witte, Birgit I; Killestein, Joep; Oreja-Guevara, Celia; Ciccarelli, Olga; Gasperini, Claudio; Lukas, Carsten; Wattjes, Mike P; Barkhof, Frederik

2018-06-20

In the work-up of patients presenting with a clinically isolated syndrome (CIS), 3T MRI might offer a higher lesion detection than 1.5T, but it remains unclear whether this affects the fulfilment of the diagnostic criteria for multiple sclerosis (MS). We recruited 66 patients with CIS within 6 months from symptom onset and 26 healthy controls in 6 MS centers. All participants underwent 1.5T and 3T brain and spinal cord MRI at baseline according to local optimized protocols and the MAGNIMS guidelines. Patients who had not converted to MS during follow-up received repeat brain MRI at 3-6 months and 12-15 months. The number of lesions per anatomical region was scored by 3 raters in consensus. Criteria for dissemination in space (DIS) and dissemination in time (DIT) were determined according to the 2017 revisions of the McDonald criteria. Three-Tesla MRI detected 15% more T2 brain lesions compared to 1.5T ( p < 0.001), which was driven by an increase in baseline detection of periventricular (12%, p = 0.015), (juxta)cortical (21%, p = 0.005), and deep white matter lesions (21%, p < 0.001). The detection rate of spinal cord lesions and gadolinium-enhancing lesions did not differ between field strengths. Three-Tesla MRI did not lead to a higher number of patients fulfilling the criteria for DIS or DIT, or subsequent diagnosis of MS, at any of the 3 time points. Scanning at 3T does not influence the diagnosis of MS according to McDonald diagnostic criteria. Copyright © 2018 The Author(s). Published by Wolters Kluwer Health, Inc. on behalf of the American Academy of Neurology.

Mixed copper-platinum complex formation could explain synergistic antiproliferative effect exhibited by binary mixtures of cisplatin and copper-1,10-phenanthroline compounds: An ESI-MS study.

PubMed

Pivetta, Tiziana; Lallai, Viola; Valletta, Elisa; Trudu, Federica; Isaia, Francesco; Perra, Daniela; Pinna, Elisabetta; Pani, Alessandra

2015-10-01

Cisplatin, cis-diammineplatinum(II) dichloride, is a metal complex used in clinical practice for the treatment of cancer. Despite its great efficacy, it causes adverse reactions and most patients develop a resistance to cisplatin. To overcome these issues, a multi-drug therapy was introduced as a modern approach to exploit the drug synergy. A synergistic effect had been previously found when testing binary combinations of cisplatin and three copper complexes in vitro, namely, Cu(phen)(OH2)2(OClO3)2, [Cu(phen)2(OH2)](ClO4)2 and [Cu(phen)2(H2dit)](ClO4)2,(phen=1,10-phenanthroline, H2dit=imidazolidine-2-thione), against the human acute T-lymphoblastic leukaemia cell line (CCRF-CEM). In this work [Cu(phen)2(OH2)](ClO4)2 was also tested in combination with cisplatin against cisplatin-resistant sublines of CCRF-CEM (CCRF-CEM-res) and ovarian (A2780-res) cancer cell lines. The tested combinations show a synergistic effect against both the types of resistant cells. The possibility that this effect was caused by the formation of new adducts was considered and mass spectra of solutions containing cisplatin and one of the three copper complexes at a time were measured using electrospray ionisation at atmospheric-pressure mass spectrometry (ESI-MS). A mixed complex was detected and its stoichiometry was assessed on the basis of the isotopic pattern and the results of tandem mass spectrometry experiments. The formed complex was found to be [Cu(phen)(OH)μ-(Cl)2Pt(NH3)(H2O)](+). Copyright © 2015 Elsevier Inc. All rights reserved.

Density-induced suppression of the {alpha}-particle condensate in nuclear matter and the structure of {alpha}-cluster states in nuclei

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

Funaki, Y.; Horiuchi, H.; International Institute for Advanced Studies, Kizugawa 619-0225

2008-06-15

At low densities, with decreasing temperatures, in symmetric nuclear matter {alpha} particles are formed, which eventually give raise to a quantum condensate with four-nucleon {alpha}-like correlations (quartetting). Starting with a model of {alpha} matter, where undistorted {alpha} particles interact via an effective interaction such as the Ali-Bodmer potential, the suppression of the condensate fraction at zero temperature with increasing density is considered. Using a Jastrow-Feenberg approach, it is found that the condensate fraction vanishes near saturation density. Additionally, the modification of the internal state of the {alpha} particle due to medium effects will further reduce the condensate. In finite systems,more » an enhancement of the S-state wave function of the center-of-mass orbital of {alpha}-particle motion is considered as the correspondence to the condensate. Wave functions have been constructed for self-conjugate 4n nuclei that describe the condensate state but are fully antisymmetrized on the nucleonic level. These condensate-like cluster wave functions have been successfully applied to describe properties of low-density states near the n{alpha} threshold. Comparison with orthogonality condition model calculations in {sup 12}C and {sup 16}O shows strong enhancement of the occupation of the S-state center-of-mass orbital of the {alpha} particles. This enhancement is decreasing if the baryon density increases, similar to the density-induced suppression of the condensate fraction in {alpha} matter. The ground states of {sup 12}C and {sup 16}O show no enhancement at all, thus a quartetting condensate cannot be formed at saturation densities.« less

The role of seniority-zero states in nuclear level densities

DOE PAGES

Åberg, S.; Carlsson, B. G.; Døssing, Th.; ...

2015-06-01

At low excitation energies seniority-zero states dominate the level density of K=0 bands in deformed even–even nuclei, while they play no role at higher excitation energies. We describe the level densities in a Fermi-gas model as well as in a combinatorial level-density model and compare to detailed experimental data for some rare-earth nuclei.

Measurements of copper ground-state and metastable level population densities in a copper-chloride laser

NASA Technical Reports Server (NTRS)

Nerheim, N. M.

1977-01-01

The population densities of both the ground and the 2D(5/2) metastable states of copper atoms in a double-pulsed copper-chloride laser are correlated with laser energy as a function of time after the dissociation current pulse. Time-resolved density variations of the ground and excited copper atoms were derived from measurements of optical absorption at 324.7 and 510.6 nm, respectively, over a wide range of operating conditions in laser tubes with diameters of 4 to 40 mm. The minimum delay between the two current pulses at which lasing was observed is shown to be a function of the initial density and subsequent decay of the metastable state. Similarly, the maximum delay is shown to be a function of the initial density and decay of the ground state.

Calculation of density of states of transition metals: From bulk sample to nanocluster

NASA Astrophysics Data System (ADS)

Krasavin, Andrey V.; Borisyuk, Petr V.; Vasiliev, Oleg S.; Zhumagulov, Yaroslav V.; Kashurnikov, Vladimir A.; Kurelchuk, Uliana N.; Lebedinskii, Yuriy Yu.

2018-03-01

A technique is presented of restoring the electronic density of states of the valence band from data of X-ray photoelectron spectroscopy (XPS). The originality of the technique consists in using a stochastic procedure to solve an integral equation relating the density of states and the experimental X-ray photoelectron spectra via the broadening function. To obtain the broadening function, only the XPS spectra of the core levels are needed. The results are presented for bulk sample of gold and tungsten and nanoclusters of tantalum; the possibility of using the results to determine the density of states of low-dimensional structures, including ensembles of metal nanoclusters, is demonstrated.

Thermodynamically constrained correction to ab initio equations of state

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

French, Martin; Mattsson, Thomas R.

2014-07-07

We show how equations of state generated by density functional theory methods can be augmented to match experimental data without distorting the correct behavior in the high- and low-density limits. The technique is thermodynamically consistent and relies on knowledge of the density and bulk modulus at a reference state and an estimation of the critical density of the liquid phase. We apply the method to four materials representing different classes of solids: carbon, molybdenum, lithium, and lithium fluoride. It is demonstrated that the corrected equations of state for both the liquid and solid phases show a significantly reduced dependence ofmore » the exchange-correlation functional used.« less

Density of states and magnetotransport in Weyl semimetals with long-range disorder

NASA Astrophysics Data System (ADS)

Pesin, D. A.; Mishchenko, E. G.; Levchenko, A.

2015-11-01

We study the density of states and magnetotransport properties of disordered Weyl semimetals, focusing on the case of a strong long-range disorder. To calculate the disorder-averaged density of states close to nodal points, we treat exactly the long-range random potential fluctuations produced by charged impurities, while the short-range component of disorder potential is included systematically and controllably with the help of a diagram technique. We find that, for energies close to the degeneracy point, long-range potential fluctuations lead to a finite density of states. In the context of transport, we discuss that a self-consistent theory of screening in magnetic field may conceivably lead to nonmonotonic low-field magnetoresistance.

VizieR Online Data Catalog: 89 Her interferometric study (Hillen+, 2013)

NASA Astrophysics Data System (ADS)

Hillen, M.; Verhoelst, T.; van Winckel, H.; Chesneau, O.; Hummel, C. A.; Monnier, J. D.; Farrington, C.; Tycner, C.; Mourard, D.; Ten Brummelaar, T.; Banerjee, D. P. K.; Zavala, R. T.

2013-08-01

89 Herculis was observed with the AMBER instrument on the VLTI using the Auxiliary Telescopes (ATs) in 2007, 2008, and 2012, all in the low-spectral-resolution (R=30) mode covering the H and K bands with detector integration times (DITs) of 25 and 50ms and without the use of the fringe tracker FINITO. Both the CLASSIC and CLIMB beam combiners on the Georgia State University CHARA Array interferometer were used to conduct observations in the H and K bands.In May 2012 observations were performed with the sensitive two-beam CLASSIC beam combiner in both H and K band. Three-beam CLIMB observations, in H and K band, were also obtained during three nights in July 2012. We retrieved and calibrated observations from the PTI archive. 89 Her was observed during 30 nights between 1999 and 2003, equally spread over the H and K bands. Eight and 15 observations of 89 Her were obtained at the IOTA interferometer on 2003 June 15 and 16, respectively. Observations of 89 Her were carried out in October 2011 with the NPOI. Two observations were performed in June and August 2011 with the Visible spEctroGraph And Polarimeter (VEGA instrument) integrated within the CHARA Array. (2 data files).

Controlling spontaneous emission with the local density of states of honeycomb photonic crystals

NASA Astrophysics Data System (ADS)

Tsai, Ya-Chih; Lin, Chien-Fan; Chang, Jui-Wen

2009-05-01

We calculated the local density of state for various positions in a photonic crystal of honeycomb lattice to study how the spontaneous emission rate of a radiating dipole is altered in the presence of the photonic crystal. The local density of states is found to be position-sensitive and its value can be enhanced or depressed relative to the density of states, depending on the location of the dipole. Our study shows that the density of states tends to underestimate the effect of a photonic crystal on the prohibition of light propagation, while on the contrary tends to overestimate the effect on the enhancement of light emission. The calculations also indicate that it is possible to tailor the spontaneous emission of an active medium by careful selecting its location in the photonic crystal. The results are helpful in determining the insertion location of the active medium and in evaluating the efficiency of active photonic crystal devices such as light-emitting diodes or lasers.

Reduction theorems for optimal unambiguous state discrimination of density matrices

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

Raynal, Philippe; Luetkenhaus, Norbert; Enk, Steven J. van

2003-08-01

We present reduction theorems for the problem of optimal unambiguous state discrimination of two general density matrices. We show that this problem can be reduced to that of two density matrices that have the same rank n and are described in a Hilbert space of dimensions 2n. We also show how to use the reduction theorems to discriminate unambiguously between N mixed states (N{>=}2)

Impact of Breast Density Legislation on Breast Cancer Risk Assessment and Supplemental Screening: A Survey of 110 Radiology Facilities.

PubMed

Nayak, Lina; Miyake, Kanae K; Leung, Jessica W T; Price, Elissa R; Liu, Yueyi I; Joe, Bonnie N; Sickles, Edward A; Thomas, William R; Lipson, Jafi A; Daniel, Bruce L; Hargreaves, Jonathan; Brenner, R James; Bassett, Lawrence W; Ojeda-Fournier, Haydee; Lindfors, Karen K; Feig, Stephen A; Ikeda, Debra M

2016-09-01

Breast density notification laws, passed in 19 states as of October 2014, mandate that patients be informed of their breast density. The purpose of this study is to assess the impact of this legislation on radiology practices, including performance of breast cancer risk assessment and supplemental screening studies. A 20-question anonymous web-based survey was emailed to radiologists in the Society of Breast Imaging between August 2013 and March 2014. Statistical analysis was performed using Fisher's exact test. Around 121 radiologists from 110 facilities in 34 USA states and 1 Canadian site responded. About 50% (55/110) of facilities had breast density legislation, 36% of facilities (39/109) performed breast cancer risk assessment (one facility did not respond). Risk assessment was performed as a new task in response to density legislation in 40% (6/15) of facilities in states with notification laws. However, there was no significant difference in performing risk assessment between facilities in states with a law and those without (p < 0.831). In anticipation of breast density legislation, 33% (16/48), 6% (3/48), and 6% (3/48) of facilities in states with laws implemented handheld whole breast ultrasound (WBUS), automated WBUS, and tomosynthesis, respectively. The ratio of facilities offering handheld WBUS was significantly higher in states with a law than in states without (p < 0.001). In response to breast density legislation, more than 33% of facilities are offering supplemental screening with WBUS and tomosynthesis, and many are performing formal risk assessment for determining patient management. © 2016 Wiley Periodicals, Inc.

The first principle study of Ni{sub 2}ScGa and Ni{sub 2}TiGa

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

Özduran, Mustafa; Turgut, Kemal; Arikan, Nihat

2014-10-06

We computed the electronic structure, elastic moduli, vibrational properties, and Ni{sub 2}TiGa and Ni{sub 2}ScGa alloys in the cubic L2{sub 1} structure. The obtained equilibrium lattice constants of these alloys are in good agreement with available data. In cubic systems, there are three independent elastic constants, namely C{sub 11}, C{sub 12} and C{sub 44}. We calculated elastic constants in L2{sub 1} structure for Ni{sub 2}TiGa and Ni{sub 2}ScGa using the energy-strain method. The electronic band structure, total and partial density of states for these alloys were investigated within density functional theory using the plane-wave pseudopotential method implemented in Quantum-Espresso programmore » package. From band structure, total and projected density of states, we observed metallic characters of these compounds. The electronic calculation indicate that the predominant contributions of the density of states at Fermi level come from the Ni 3d states and Sc 3d states for Ni{sub 2}TiGa, Ni 3d states and Sc 3d states for Ni{sub 2}ScGa. The computed density of states at Fermi energy are 2.22 states/eV Cell for Ni{sub 2}TiGa, 0.76 states/eV Cell for Ni{sub 2}ScGa. The vibrational properties were obtained using a linear response in the framework at the density functional perturbation theory. For the alloys, the results show that the L2{sub 1} phase is unstable since the phonon calculations have imagine modes.« less

Guideline on Scenario Development for (Distributed) Simulation Environments (Guide en vue du developpement de scenario dans le cadre de simulation distribuee)

DTIC Science & Technology

2015-01-01

des lacunes de M&S du MORS du NMSG a déterminé que le manque d’interopérabilité de la simulation constituait la lacune prioritaire à combler en...matière de capacité, une équipe exploratoire (ET-027) a été constituée au sein du NMSG pour étudier l’interopérabilité de la simulation. L’ET-027 a...élevés (autrement dit, aux niveaux pratique, dynamique et conceptuel) de même que l’automatisation relative du développement, de

Counterinsurgency: Strategy and the Phoenix of American Capability

DTIC Science & Technology

1995-02-28

NQ AD-A286 802 c NTER ’UK(---,E’N.CY.... S I rflk-’*ý y I’l-1d le I A Ale r i c a n Cki i I t y: S c vv I I Nk"I/ - MATEMMY Ir Appo" d im pubma raoý...Distribution I Availability Codes February 28, 1995 Dist Avail and /or Dit Special f-1 D UTION STATEN[FNT A ApFroved for publUc r olease; AIstribution...Small Wars Manual of 1940.10 During President Dwight D . Eisenhower’s tenure, American national secui’ity strategy had been based on "massive

Woody detritus density and density reduction factors for tree species in the United States: a synthesis

Treesearch

Mark E. Harmon; Christopher W. Woodall; Becky Fasth; Jay Sexton

2008-01-01

This report presents a synthesis of published and unpublished data on woody detritus density as a step toward improving estimates of coarse woody detritus (CWD) and fine woody detritus (FWD) biomass across the forests of the United States. In the case of CWD, 88 species were found to have data on densities for five decay classes that had been published and/or collected...

Density-Pressure Profiles of Fe-Bearing MgSiO3 Liquid: Effects of Valence and Spin States, and Implications for the Chemical Evolution of the Lower Mantle

NASA Astrophysics Data System (ADS)

Karki, Bijaya B.; Ghosh, Dipta B.; Maharjan, Charitra; Karato, Shun-ichiro; Park, Jeffrey

2018-05-01

Density is a key property controlling the chemical state of Earth's interior. Our knowledge about the density of relevant melt compositions is currently poor at deep-mantle conditions. Here we report results from first-principles molecular-dynamics simulations of Fe-bearing MgSiO3 liquids considering different valence and spin states of iron over the whole mantle pressure conditions. Our simulations predict the high-spin to low-spin transition in both ferrous and ferric iron in the silicate liquid to occur gradually at pressures around 100 GPa. The calculated iron-induced changes in the melt density (about 8% increase for 25% iron content) are primarily due to the difference in atomic mass between Mg and Fe, with smaller contributions (<2%) from the valence and spin states. A comparison of the predicted density of mixtures of (Mg,Fe)(Si,Fe)O3 and (Mg,Fe)O liquids with the mantle density indicates that the density contrast between the melt and residual-solid depends strongly on pressure (depth): in the shallow lower mantle (depths < 1,000 km), the melt is lighter than the solids, whereas in the deep lower mantle (e.g., the D″ layer), the melt density exceeds the mantle density when iron content is relatively high and/or melt is enriched with Fe-rich ferropericlase.

Effect of density feedback on the two-route traffic scenario with bottleneck

NASA Astrophysics Data System (ADS)

Sun, Xiao-Yan; Ding, Zhong-Jun; Huang, Guo-Hua

2016-12-01

In this paper, we investigate the effect of density feedback on the two-route scenario with a bottleneck. The simulation and theory analysis shows that there exist two critical vehicle entry probabilities αc1 and αc2. When vehicle entry probability α≤αc1, four different states, i.e. free flow state, transition state, maximum current state and congestion state are identified in the system, which correspond to three critical reference densities. However, in the interval αc1<α<αc2, the free flow and transition state disappear, and there is only congestion state when α≥αc2. According to the results, traffic control center can adjust the reference density so that the system is in maximum current state. In this case, the capacity of the traffic system reaches maximum so that drivers can make full use of the roads. We hope that the study results can provide good advice for alleviating traffic jam and be useful to traffic control center for designing advanced traveller information systems.

Measurements of population densities of metastable and resonant levels of argon using laser induced fluorescence

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

Nikolić, M.; Newton, J.; Sukenik, C. I.

2015-01-14

We present a new approach to measure population densities of Ar I metastable and resonant excited states in low temperature Ar plasmas at pressures higher than 1 Torr. This approach combines the time resolved laser induced fluorescence technique with the kinetic model of Ar. The kinetic model of Ar is based on calculating the population rates of metastable and resonant levels by including contributions from the processes that affect population densities of Ar I excited states. In particular, we included collisional quenching processes between atoms in the ground state and excited states, since we are investigating plasma at higher pressures. Wemore » also determined time resolved population densities of Ar I 2 p excited states by employing optical emission spectroscopy technique. Time resolved Ar I excited state populations are presented for the case of the post-discharge of the supersonic flowing microwave discharge at pressures of 1.7 and 2.3 Torr. The experimental set-up consists of a pulsed tunable dye laser operating in the near infrared region and a cylindrical resonance cavity operating in TE{sub 111} mode at 2.45 GHz. Results show that time resolved population densities of Ar I metastable and resonant states oscillate with twice the frequency of the discharge.« less

Measured density of copper atoms in the ground and metastable states in argon magnetron discharge correlated with the deposition rate

NASA Astrophysics Data System (ADS)

Naghshara, H.; Sobhanian, S.; Khorram, S.; Sadeghi, N.

2011-01-01

In a dc-magnetron discharge with argon feed gas, densities of copper atoms in the ground state Cu(2S1/2) and metastable state Cu*(2D5/2) were measured by the resonance absorption technique, using a commercial hollow cathode lamp as light source. The operating conditions were 0.3-14 µbar argon pressure and 10-200 W magnetron discharge power. The deposition rate of copper in a substrate positioned at 18 cm from the target was also measured with a quartz microbalance. The gas temperature, in the range 300-380 K, was deduced from the emission spectral profile of N2(C 3Πu - B 3Πg) 0-0 band at 337 nm when trace of nitrogen was added to the argon feed gas. The isotope-shifts and hyperfine structures of electronic states of Cu have been taken into account to deduce the emission and absorption line profiles, and hence for the determination of atoms' densities from the measured absorption rates. To prevent error in the evaluation of Cu density, attributed to the line profile distortion by auto-absorption inside the lamp, the lamp current was limited to 5 mA. Density of Cu(2S1/2) atoms and deposition rate both increased with the enhanced magnetron discharge power. But at fixed power, the copper density augmented with argon pressure whereas the deposition rate followed the opposite trend. Whatever the gas pressure, the density of Cu*(2D5/2) metastable atoms remained below the detection limit of 1 × 1010 cm-3 for magnetron discharge powers below 50 W and hence increased much more rapidly than the density of Cu(2S1/2) atoms, over passing this later at some discharge power, whose value decreases with increasing argon pressure. This behaviour is believed to result from the enhancement of plasma density with increasing discharge power and argon pressure, which would increase the excitation rate of copper into metastable states. At fixed pressure, the deposition rate followed the same trend as the total density of copper atoms in the ground and metastable states. Two important conclusions of this work are (i) copper atoms sputtered from the target under ion bombardment are almost all in the ground state Cu(2S1/2) and hence in the plasma volume they can be excited into the metastable states; (ii) all atoms in the long-lived ground and metastable states contribute to the deposition of copper layer on the substrate.

Total photoelectron yield spectroscopy of energy distribution of electronic states density at GaN surface and SiO2/GaN interface

NASA Astrophysics Data System (ADS)

Ohta, Akio; Truyen, Nguyen Xuan; Fujimura, Nobuyuki; Ikeda, Mitsuhisa; Makihara, Katsunori; Miyazaki, Seiichi

2018-06-01

The energy distribution of the electronic state density of wet-cleaned epitaxial GaN surfaces and SiO2/GaN structures has been studied by total photoelectron yield spectroscopy (PYS). By X-ray photoelectron spectroscopy (XPS) analysis, the energy band diagram for a wet-cleaned epitaxial GaN surface such as the energy level of the valence band top and electron affinity has been determined to obtain a better understanding of the measured PYS signals. The electronic state density of GaN surface with different carrier concentrations in the energy region corresponding to the GaN bandgap has been evaluated. Also, the interface defect state density of SiO2/GaN structures was also estimated by not only PYS analysis but also capacitance–voltage (C–V) characteristics. We have demonstrated that PYS analysis enables the evaluation of defect state density filled with electrons at the SiO2/GaN interface in the energy region corresponding to the GaN midgap, which is difficult to estimate by C–V measurement of MOS capacitors.

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

Hsieh, AG; Bhadra, S; Hertzberg, BJ

We demonstrate that a simple acoustic time-of-flight experiment can measure the state of charge and state of health of almost any closed battery. An acoustic conservation law model describing the state of charge of a standard battery is proposed, and experimental acoustic results verify the simulated trends; furthermore, a framework relating changes in sound speed, via density and modulus changes, to state of charge and state of health within a battery is discussed. Regardless of the chemistry, the distribution of density within a battery must change as a function of state of charge and, along with density, the bulk modulimore » of the anode and cathode changes as well. The shifts in density and modulus also change the acoustic attenuation in a battery. Experimental results indicating both state-of-charge determination and irreversible physical changes are presented for two of the most ubiquitous batteries in the world, the lithium-ion 18650 and the alkaline LR6 (AA). Overall, a one-or two-point acoustic measurement can be related to the interaction of a pressure wave at multiple discrete interfaces within a battery, which in turn provides insights into state of charge, state of health, and mechanical evolution/degradation.« less

Cryogenic terahertz spectrum of (+)-methamphetamine hydrochloride and assignment using solid-state density functional theory.

PubMed

Hakey, Patrick M; Allis, Damian G; Ouellette, Wayne; Korter, Timothy M

2009-04-30

The cryogenic terahertz spectrum of (+)-methamphetamine hydrochloride from 10.0 to 100.0 cm(-1) is presented, as is the complete structural analysis and vibrational assignment of the compound using solid-state density functional theory. This cryogenic investigation reveals multiple spectral features that were not previously reported in room-temperature terahertz studies of the title compound. Modeling of the compound employed eight density functionals utilizing both solid-state and isolated-molecule methods. The results clearly indicate the necessity of solid-state simulations for the accurate assignment of solid-state THz spectra. Assignment of the observed spectral features to specific atomic motions is based on the BP density functional, which provided the best-fit solid-state simulation of the experimental spectrum. The seven experimental spectral features are the result of thirteen infrared-active vibrational modes predicted at a BP/DNP level of theory with more than 90% of the total spectral intensity associated with external crystal vibrations.

Dependence of Mobility on Density of Gap States in Organics by GAMEaS - Gate Modulated Activation Energy Spectroscopy

NASA Astrophysics Data System (ADS)

So, Woo-Young; Lang, David; Ramirez, Arthur

2008-03-01

We develop a spectroscopic method for determining the density of states (DOS) in the energy gap - GAte Modulated activation Energy Spectroscopy (GAMEaS), We also report the relationship of these gap states to the mobility of organic field-effect-transistors (FETs). We find that the field-effect mobility is parameterized by two factors: (1) the free-carrier mobility and (2) the ratio of the free carrier density to the total carrier density induced by the gate bias. We show that the highest mobility FETs have shallow exponential band tails of localized states with characteristic slope of 1/kT at 300K. Most remarkably, state-of-the-art crystalline FETs fabricated from rubrene, pentacene, and tetracene all have a very high free-carrier mobility, up to 200cm2/Vsec at 300K, with the somewhat lower effective mobilities dominated by localized gap states. This strongly suggests that further improvements in device performance could be possible with enhanced material quality.

Electronic structure and electron momentum densities of Ag2CrO4

NASA Astrophysics Data System (ADS)

Meena, Seema Kumari; Ahuja, B. L.

2018-05-01

We present the first-ever experimental electron momentum density of Ag2CrO4 using 661.65 keV γ-rays from 20 Ci 137Cs source. To validate our experimental data, we have also deduced theoretical Compton profiles, energy bands and density of states using linear combination of atomic orbitals (LCAO) method in the framework of density functional theory. It is seen that the DFT-LDA gives a better agreement with experimental data than free atom model. The energy bands and density of states are also discussed.

Beyond electronegativity and local hardness: Higher-order equalization criteria for determination of a ground-state electron density.

PubMed

Ayers, Paul W; Parr, Robert G

2008-08-07

Higher-order global softnesses, local softnesses, and softness kernels are defined along with their hardness inverses. The local hardness equalization principle recently derived by the authors is extended to arbitrary order. The resulting hierarchy of equalization principles indicates that the electronegativity/chemical potential, local hardness, and local hyperhardnesses all are constant when evaluated for the ground-state electron density. The new equalization principles can be used to test whether a trial electron density is an accurate approximation to the true ground-state density and to discover molecules with desired reactive properties, as encapsulated by their chemical reactivity indicators.

Probability density of tunneled carrier states near heterojunctions calculated numerically by the scattering method.

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

Wampler, William R.; Myers, Samuel M.; Modine, Normand A.

2017-09-01

The energy-dependent probability density of tunneled carrier states for arbitrarily specified longitudinal potential-energy profiles in planar bipolar devices is numerically computed using the scattering method. Results agree accurately with a previous treatment based on solution of the localized eigenvalue problem, where computation times are much greater. These developments enable quantitative treatment of tunneling-assisted recombination in irradiated heterojunction bipolar transistors, where band offsets may enhance the tunneling effect by orders of magnitude. The calculations also reveal the density of non-tunneled carrier states in spatially varying potentials, and thereby test the common approximation of uniform- bulk values for such densities.

Interdimensional effects in systems with quasirelativistic fermions

NASA Astrophysics Data System (ADS)

Zulkoskey, A. C.; Dick, R.; Tanaka, K.

2017-07-01

We examine the Green function and the density of states for fermions moving in three-dimensional Dirac materials with interfaces which affect the propagation properties of particles. Motivation for our research comes from interest in materials that exhibit quasirelativistic dispersion relations. By modifying Dirac-type contributions to the Hamiltonian in an interface we are able to calculate the Green function and the density of states. The density of states inside the interface exhibits interpolating behavior between two and three dimensions, with two-dimensional behavior at high energies and three-dimensional behavior at low energies, provided that the shift in the mass parameter in the interface is small. We also discuss the impact of the interpolating density of states on optical absorption in Dirac materials with a two-dimensional substructure.

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

Steiner, Andrew W.; Lattimer, James M.; Brown, Edward F.

We investigate constraints on neutron star structure arising from the assumptions that neutron stars have crusts, that recent calculations of pure neutron matter limit the equation of state of neutron star matter near the nuclear saturation density, that the high-density equation of state is limited by causality and the largest high-accuracy neutron star mass measurement, and that general relativity is the correct theory of gravity. We explore the role of prior assumptions by considering two classes of equation of state models. In a first, the intermediate- and high-density behavior of the equation of state is parameterized by piecewise polytropes. Inmore » the second class, the high-density behavior of the equation of state is parameterized by piecewise continuous line segments. The smallest density at which high-density matter appears is varied in order to allow for strong phase transitions above the nuclear saturation density. We critically examine correlations among the pressure of matter, radii, maximum masses, the binding energy, the moment of inertia, and the tidal deformability, paying special attention to the sensitivity of these correlations to prior assumptions about the equation of state. It is possible to constrain the radii of 1.4 solar mass neutron stars to be larger than 10 km, even without consideration of additional astrophysical observations, for example, those from photospheric radius expansion bursts or quiescent low-mass X-ray binaries. We are able to improve the accuracy of known correlations between the moment of inertia and compactness as well as the binding energy and compactness. Furthermore, we also demonstrate the existence of a correlation between the neutron star binding energy and the moment of inertia.« less

Simultaneous Conduction and Valence Band Quantization in Ultrashallow High-Density Doping Profiles in Semiconductors

NASA Astrophysics Data System (ADS)

Mazzola, F.; Wells, J. W.; Pakpour-Tabrizi, A. C.; Jackman, R. B.; Thiagarajan, B.; Hofmann, Ph.; Miwa, J. A.

2018-01-01

We demonstrate simultaneous quantization of conduction band (CB) and valence band (VB) states in silicon using ultrashallow, high-density, phosphorus doping profiles (so-called Si:P δ layers). We show that, in addition to the well-known quantization of CB states within the dopant plane, the confinement of VB-derived states between the subsurface P dopant layer and the Si surface gives rise to a simultaneous quantization of VB states in this narrow region. We also show that the VB quantization can be explained using a simple particle-in-a-box model, and that the number and energy separation of the quantized VB states depend on the depth of the P dopant layer beneath the Si surface. Since the quantized CB states do not show a strong dependence on the dopant depth (but rather on the dopant density), it is straightforward to exhibit control over the properties of the quantized CB and VB states independently of each other by choosing the dopant density and depth accordingly, thus offering new possibilities for engineering quantum matter.

Thermodynamics of an Attractive 2D Fermi Gas

NASA Astrophysics Data System (ADS)

Fenech, K.; Dyke, P.; Peppler, T.; Lingham, M. G.; Hoinka, S.; Hu, H.; Vale, C. J.

2016-01-01

Thermodynamic properties of matter are conveniently expressed as functional relations between variables known as equations of state. Here we experimentally determine the compressibility, density, and pressure equations of state for an attractive 2D Fermi gas in the normal phase as a function of temperature and interaction strength. In 2D, interacting gases exhibit qualitatively different features to those found in 3D. This is evident in the normalized density equation of state, which peaks at intermediate densities corresponding to the crossover from classical to quantum behavior.

Spectra of random operators with absolutely continuous integrated density of states

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

Rio, Rafael del, E-mail: delrio@iimas.unam.mx, E-mail: delriomagia@gmail.com

2014-04-15

The structure of the spectrum of random operators is studied. It is shown that if the density of states measure of some subsets of the spectrum is zero, then these subsets are empty. In particular follows that absolute continuity of the integrated density of states implies singular spectra of ergodic operators is either empty or of positive measure. Our results apply to Anderson and alloy type models, perturbed Landau Hamiltonians, almost periodic potentials, and models which are not ergodic.

Equation of state and electron localisation in fcc lithium

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

Frost, Mungo; Levitan, Abraham L.; Sun, Peihao

We present an improved equation of state for the high-pressure fcc phase of lithium with ambient temperature experimental data, extending the pressure range of previous studies to 36 GPa. Accompanying density functional theory calculations, which reproduce the experimental equation of state, show that with increasing density the phase diverges from a nearly free electron metal. At the high pressure limit of its stability fcc lithium exhibits enhanced electron density on the octahedral interstices with a high degree of localisation.

Equation of state and electron localisation in fcc lithium

DOE PAGES

Frost, Mungo; Levitan, Abraham L.; Sun, Peihao; ...

2018-02-14

We present an improved equation of state for the high-pressure fcc phase of lithium with ambient temperature experimental data, extending the pressure range of previous studies to 36 GPa. Accompanying density functional theory calculations, which reproduce the experimental equation of state, show that with increasing density the phase diverges from a nearly free electron metal. At the high pressure limit of its stability fcc lithium exhibits enhanced electron density on the octahedral interstices with a high degree of localisation.

Gravity dual of spin and charge density waves

NASA Astrophysics Data System (ADS)

Jokela, Niko; Järvinen, Matti; Lippert, Matthew

2014-12-01

At high enough charge density, the homogeneous state of the D3-D7' model is unstable to fluctuations at nonzero momentum. We investigate the end point of this instability, finding a spatially modulated ground state, which is a charge and spin density wave. We analyze the phase structure of the model as a function of chemical potential and magnetic field and find the phase transition from the homogeneous state to be first order, with a second-order critical point at zero magnetic field.

A density-functional-theory study of biradicals from benzene to hexacene

NASA Astrophysics Data System (ADS)

Kim, Hyun-Jung; Wang, Xingyong; Ma, Jing; Cho, Jun-Hyung

2011-11-01

The singlet-triplet energy gap of biradicals created in benzene and polyacenes is investigated by density-functional-theory calculations. For the biradicals in benzene, naphthalene, anthracene, tetracene, pentacene, and hexacene, we find that the singlet state is energetically favored over the triplet state by 189, 191, 184, 199, 218, and 244 meV, respectively. The monotonous increase of the singlet-triplet energy gap from anthracene to hexacene is attributed to the enhanced stability of the singlet state for longer polyacenes. Our analysis shows that the spin density of the singlet state is delocalized over all benzene rings, but such a spin delocalization is not present for the triplet state.

Mapping the conduction band edge density of states of γ-In2Se3 by diffuse reflectance spectra

NASA Astrophysics Data System (ADS)

Kumar, Pradeep; Vedeshwar, Agnikumar G.

2018-03-01

It is demonstrated that the measured diffuse reflectance spectra of γ-In2Se3 can be used to map the conduction band edge density of states through Kubelka-Munk analysis. The Kubelka-Munk function derived from the measured spectra almost mimics the calculated density of states in the vicinity of conduction band edge. The calculation of density of states was carried out using first-principles approach yielding the structural, electronic, and optical properties. The calculations were carried out implementing various functionals and only modified Tran and Blaha (TB-MBJ) results tally closest with the experimental result of band gap. The electronic and optical properties were calculated using FP-LAPW + lo approach based on the Density Functional Theory formalism implementing only TB-mBJ functional. The electron and hole effective masses have been calculated as me * = 0.25 m 0 and mh * = 1.11 m 0 , respectively. The optical properties clearly indicate the anisotropic nature of γ-In2Se3.

Thermodynamic neutral density: A new physically-based, energy-constrained, materially conserved neutral density variable for quantifying mixing and tracking water masses in the ocean

NASA Astrophysics Data System (ADS)

Tailleux, R.

2016-02-01

A new materially-conserved quasi-neutral density variable has been constructed, called thermodynamic neutral density. It is composed of two parts. The first part is the Lorenz reference density entering Lorenz theory of available potential energy, which can be interpreted as the potential density of a fluid parcel referenced to the pressure it would have in Lorenz reference state of minimum potential energy. The second part is an empirical correction for pressure, which can be suitably chosen to make thermodynamic neutral density a very good approximation of Jackett and McDougall (1997) neutral density over most of the ocean water masses for which the latter is defined. Thermodynamic neutral density possesses many advantages over the empirically constructed Jackett and McDougall (1997) neutral density: 1) it is physically-based; 2) it is easily computed using fast and efficient methods for arbitrary states of the ocean, not just the present state, using the recently developed methodology by Saenz et al. (2015); 3) it is exactly neutral in a state of rest, and approximately neutral in the present ocean; 4) it is exactly materially conserved (it is a function of salinity and potential temperature only) and not plagued by unphysical nonmaterial effects, so can be used unambiguously to define and diagnose diapycnal and isopycnal mixing; 5) it is based on available potential energy, and therefore is the most suitable variable to discuss the energy cost of adiabatic stirring; 6) it is the variable that should be used to define the isopycnal and diapycnal directions in rotated diffusion tensor, as it can be shown that using the directions defined by the local neutral tangent plane as currently done causes spurious destruction of water masses. References: J. A. Saenz, R. Tailleux, E.D. Butler, G.O. Hughes, and K.I.C. Oliver, 2015: Estimating Lorenz's reference state in an ocean with a nonlinear equation of state for seawater. J. Phys. Oceanogr., 45, 1242—1257

A State-trait Analysis of Alpha Density and Personality Variables in a Normal Population

ERIC Educational Resources Information Center

Degood, Douglas E.; Valle, Ronald S.

1975-01-01

This paper examined the relationship of some selected trait measures of personality with resting samples of alpha density in a normal population and the implications of such data for a state-trait approach to alpha and the experiential states associated with alpha. (Author/RK)

Spin polarized and density modulated phases in symmetric electron-electron and electron-hole bilayers.

PubMed

Kumar, Krishan; Moudgil, R K

2012-10-17

We have studied symmetric electron-electron and electron-hole bilayers to explore the stable homogeneous spin phase and the feasibility of inhomogeneous charge-/spin-density ground states. The former is resolved by comparing the ground-state energies in states of different spin polarizations, while the latter is resolved by searching for a divergence in the wavevector-dependent static charge/spin susceptibility. For this endeavour, we have used the dielectric approach within the self-consistent mean-field theory of Singwi et al. We find that the inter-layer interactions tend to change an abrupt spin-polarization transition of an isolated layer into a nearly gradual one, even though the partially spin-polarized phases are not clearly stable within the accuracy of our calculation. The transition density is seen to decrease with a reduction in layer spacing, implying a suppression of spin polarization by inter-layer interactions. Indeed, the suppression shows up distinctly in the spin susceptibility computed from the spin-polarization dependence of the ground-state energy. However, below a critical layer spacing, the unpolarized liquid becomes unstable against a charge-density-wave (CDW) ground state at a density preceding full spin polarization, with the transition density for the CDW state increasing on further reduction in the layer spacing. Due to attractive e-h correlations, the CDW state is found to be more pronounced in the e-h bilayer. On the other hand, the static spin susceptibility diverges only in the long-wavelength limit, which simply represents a transition to the homogeneous spin-polarized phase.

Electronic and thermodynamic properties of layered Hf2Sfrom first-principles calculations

NASA Astrophysics Data System (ADS)

Nandadasa, Chandani; Yoon, Mina; Kim, Seong-Gon; Erwin, Steve; Kim, Sungho; Kim, Sung Wng; Lee, Kimoon

Theoretically we explored two stable phases of inorganic fullerene-like structure of the layered dihafnium sulfide (Hf2 S) . We investigated structural and electronic properties of the two phases of Hf2 S by using first-principles calculations. Our calculation identifies experimentally observed anti-NbS2 structure of Hf2 S . Our electronic calculation results indicate that the density of states of anti- NbS2 structure of Hf2 S at fermi level is less than that of the other phase of Hf2 S . To study the relative stability of different phases at finite temperature Helmholtz free energies of two phases are obtained using density functional theory and density functional perturbation theory. The free energy of the anti-NbS2 structure of Hf2 S always lies below the free energy of the other phase by confirming the most stable structure of Hf2 S . The phonon dispersion, phonon density of states including partial density of states and total density of states are obtained within density functional perturbation theory. Our calculated zero-pressure phonon dispersion curves confirm that the thermodynamic stability of Hf2 S structures. For further investigation of thermodynamic properties, the temperature dependency of thermal expansion, heat capacities at constant pressure and volume are evaluated within the quasiharmonic approximations (QHA).

Density functional theory and an experimentally-designed energy functional of electron density.

PubMed

Miranda, David A; Bueno, Paulo R

2016-09-21

We herein demonstrate that capacitance spectroscopy (CS) experimentally allows access to the energy associated with the quantum mechanical ground state of many-electron systems. Priorly, electrochemical capacitance, C [small mu, Greek, macron] [ρ], was previously understood from conceptual and computational density functional theory (DFT) calculations. Thus, we herein propose a quantum mechanical experiment-based variational method for electron charging processes based on an experimentally-designed functional of the ground state electron density. In this methodology, the electron state density, ρ, and an energy functional of the electron density, E [small mu, Greek, macron] [ρ], can be obtained from CS data. CS allows the derivative of the electrochemical potential with respect to the electron density, (δ[small mu, Greek, macron][ρ]/δρ), to be obtained as a unique functional of the energetically minimised system, i.e., β/C [small mu, Greek, macron] [ρ], where β is a constant (associated with the size of the system) and C [small mu, Greek, macron] [ρ] is an experimentally observable quantity. Thus the ground state energy (at a given fixed external potential) can be obtained simply as E [small mu, Greek, macron] [ρ], from the experimental measurement of C [small mu, Greek, macron] [ρ]. An experimental data-set was interpreted to demonstrate the potential of this quantum mechanical experiment-based variational principle.

Resistive switching near electrode interfaces: Estimations by a current model

NASA Astrophysics Data System (ADS)

Schroeder, Herbert; Zurhelle, Alexander; Stemmer, Stefanie; Marchewka, Astrid; Waser, Rainer

2013-02-01

The growing resistive switching database is accompanied by many detailed mechanisms which often are pure hypotheses. Some of these suggested models can be verified by checking their predictions with the benchmarks of future memory cells. The valence change memory model assumes that the different resistances in ON and OFF states are made by changing the defect density profiles in a sheet near one working electrode during switching. The resulting different READ current densities in ON and OFF states were calculated by using an appropriate simulation model with variation of several important defect and material parameters of the metal/insulator (oxide)/metal thin film stack such as defect density and its profile change in density and thickness, height of the interface barrier, dielectric permittivity, applied voltage. The results were compared to the benchmarks and some memory windows of the varied parameters can be defined: The required ON state READ current density of 105 A/cm2 can only be achieved for barriers smaller than 0.7 eV and defect densities larger than 3 × 1020 cm-3. The required current ratio between ON and OFF states of at least 10 requests defect density reduction of approximately an order of magnitude in a sheet of several nanometers near the working electrode.

Surface State Density Determines the Energy Level Alignment at Hybrid Perovskite/Electron Acceptors Interfaces.

PubMed

Zu, Fengshuo; Amsalem, Patrick; Ralaiarisoa, Maryline; Schultz, Thorsten; Schlesinger, Raphael; Koch, Norbert

2017-11-29

Substantial variations in the electronic structure and thus possibly conflicting energetics at interfaces between hybrid perovskites and charge transport layers in solar cells have been reported by the research community. In an attempt to unravel the origin of these variations and enable reliable device design, we demonstrate that donor-like surface states stemming from reduced lead (Pb 0 ) directly impact the energy level alignment at perovskite (CH 3 NH 3 PbI 3-x Cl x ) and molecular electron acceptor layer interfaces using photoelectron spectroscopy. When forming the interfaces, it is found that electron transfer from surface states to acceptor molecules occurs, leading to a strong decrease in the density of ionized surface states. As a consequence, for perovskite samples with low surface state density, the initial band bending at the pristine perovskite surface can be flattened upon interface formation. In contrast, for perovskites with a high surface state density, the Fermi level is strongly pinned at the conduction band edge, and only minor changes in surface band bending are observed upon acceptor deposition. Consequently, depending on the initial perovskite surface state density, very different interface energy level alignment situations (variations over 0.5 eV) are demonstrated and rationalized. Our findings help explain the rather dissimilar reported energy levels at interfaces with perovskites, refining our understanding of the operating principles in devices comprising this material.

An Equation of State for the Thermodynamic Properties of Cyclohexane

NASA Astrophysics Data System (ADS)

Zhou, Yong; Liu, Jun; Penoncello, Steven G.; Lemmon, Eric W.

2014-12-01

An equation of state for cyclohexane has been developed using the Helmholtz energy as the fundamental property with independent variables of density and temperature. Multi-property fitting technology was used to fit the equation of state to data for pρT, heat capacities, sound speeds, virial coefficients, vapor pressures, and saturated densities. The equation of state was developed to conform to the Maxwell criteria for two-phase vapor-liquid equilibrium states, and is valid from the triple-point temperature to 700 K, with pressures up to 250 MPa and densities up to 10.3 mol dm-3. In general, the uncertainties (k = 2, indicating a level of confidence of 95%) in density for the equation of state are 0.1% (liquid and vapor) up to 500 K, and 0.2% above 500 K, with higher uncertainties within the critical region. Between 283 and 473 K with pressures lower than 30 MPa, the uncertainty is as low as 0.03% in density in the liquid phase. The uncertainties in the speed of sound are 0.2% between 283 and 323 K in the liquid, and 1% elsewhere. Other uncertainties are 0.05% in vapor pressure and 2% in heat capacities. The behavior of the equation of state is reasonable within the region of validity and at higher and lower temperatures and pressures. A detailed analysis has been performed in this article.

The effect of processing conditions on the GaAs/plasma-grown insulator interface

NASA Technical Reports Server (NTRS)

Hshieh, F. I.; Borrego, J. M.; Ghandhi, S. K.

1986-01-01

The effect of processing conditions on the interface state density was evaluated from C-V measurements on metal-oxide-semiconductor capacitors. The optimum processing conditions for the minimum surface state density was found to be related to the postoxidation annealing temperature and time, and was independent of chemical treatments prior to oxidation. Annealing at the optimum condition (i.e., at 350 C for 1 h in either nitrogen or hydrogen gas, with or without an aluminum pattern on the oxide) reduces the fast surface state density by about one order of magnitude. By using a nitrogen/oxygen plasma, the static dielectric constant of the oxide decreased as the N/O ratio was increased, and nitrogen was incorporated into the oxide. In addition, the fast surface state density was reduced as a result of this nitridation process.

Quasiparticle trapping and the density of states in superconducting proximity structures

NASA Astrophysics Data System (ADS)

Warburton, P. A.; Blamire, M. G.

1994-08-01

An experimental study of quasiparticle trapping in epitaxial and polycrystalline Ta films on epitaxial Nb is presented using three-terminal double tunnel junction devices. It is shown that polycrystalline Ta is a more effective trap than epitaxial Ta. The experimentally measured tunneling density of states is used to calculate the inelastic quasiparticle scattering rates in the two types of Ta using the standard theory of Kaplan et a. (1976).The agreement of this calculation with the experimental results shows that the tunneling density of states may be used to determine scattering rates in proximitized superconducting films whose thickness is greater than the coherence length. This result is important since no existing theory satisfactorily describes the density of states in such proximity structures, which are currently being developed for use in high-resolution particle spectrometers.

I-Love-Q to the extreme

NASA Astrophysics Data System (ADS)

Silva, Hector O.; Yunes, Nicolás

2018-01-01

Certain bulk properties of neutron stars, in particular their moment of inertia, rotational quadrupole moment and tidal Love number, when properly normalized, are related to one another in a nearly equation of state independent way. The goal of this paper is to test these relations with extreme equations of state at supranuclear densities constrained to satisfy only a handful of generic, physically sensible conditions. By requiring that the equation of state be (i) barotropic and (ii) its associated speed of sound be real, we construct a piecewise function that matches a tabulated equation of state at low densities, while matching a stiff equation of state parametrized by its sound speed in the high-density region. We show that the I-Love-Q relations hold to 1 percent with this class of equations of state, even in the extreme case where the speed of sound becomes superluminal and independently of the transition density. We also find further support for the interpretation of the I-Love-Q relations as an emergent symmetry due to the nearly constant eccentricity of isodensity contours inside the star. These results reinforce the robustness of the I-Love-Q relations against our current incomplete picture of physics at supranuclear densities, while strengthening our confidence in the applicability of these relations in neutron star astrophysics.

First principle study of transport properties of a graphene nano structure

NASA Astrophysics Data System (ADS)

Kumar, Naveen; Sharma, Munish; Sharma, Jyoti Dhar; Ahluwalia, P. K.

2013-06-01

The first principle quantum transport calculations have been performed for graphene using Tran SIESTA which calculates transport properties using nonequilibrium Green's function method in conjunction with density-functional theory. Transmission functions, electron density of states and current-voltage characteristic have been calculated for a graphene nano structure using graphene electrodes. Transmission function, density of states and projected density of states show a discrete band structure which varies with applied voltage. The value of current is very low for applied voltage between 0.0 V to 5.0 V and lies in the range of pico ampere. In the V-I characteristic current shows non-linear fluctuating pattern with increase in voltage.

Multiple hydrogen bonding in excited states of aminopyrazine in methanol solution: time-dependent density functional theory study.

PubMed

Chai, Shuo; Yu, Jie; Han, Yong-Chang; Cong, Shu-Lin

2013-11-01

Aminopyrazine (AP) and AP-methanol complexes have been theoretically studied by using density functional theory (DFT) and time-dependent density functional theory (TDDFT). The excited-state hydrogen bonds are discussed in detail. In the ground state the intermolecular multiple hydrogen bonds can be formed between AP molecule and protic solvents. The AP monomer and hydrogen-bonded complex of AP with one methanol are photoexcited initially to the S2 state, and then transferred to the S1 state via internal conversion. However the complex of AP with two methanol molecules is directly excited to the S1 state. From the calculated electronic excited energies and simulated absorption spectra, we find that the intermolecular hydrogen bonds are strengthened in the electronic excited states. The strengthening is confirmed by the optimized excited-state geometries. The photochemical processes in the electronic excited states are significantly influenced by the excited-state hydrogen bond strengthening. Copyright © 2013 Elsevier B.V. All rights reserved.

Optoelectronically probing the density of nanowire surface trap states to the single state limit

NASA Astrophysics Data System (ADS)

Dan, Yaping

2015-02-01

Surface trap states play a dominant role in the optoelectronic properties of nanoscale devices. Understanding the surface trap states allows us to properly engineer the device surfaces for better performance. But characterization of surface trap states at nanoscale has been a formidable challenge using the traditional capacitive techniques. Here, we demonstrate a simple but powerful optoelectronic method to probe the density of nanowire surface trap states to the single state limit. In this method, we choose to tune the quasi-Fermi level across the bandgap of a silicon nanowire photoconductor, allowing for capture and emission of photogenerated charge carriers by surface trap states. The experimental data show that the energy density of nanowire surface trap states is in a range from 109 cm-2/eV at deep levels to 1012 cm-2/eV near the conduction band edge. This optoelectronic method allows us to conveniently probe trap states of ultra-scaled nano/quantum devices at extremely high precision.

Trial densities for the extended Thomas-Fermi model

NASA Astrophysics Data System (ADS)

Yu, An; Jimin, Hu

1996-02-01

A new and simplified form of nuclear densities is proposed for the extended Thomas-Fermi method (ETF) and applied to calculate the ground-state properties of several spherical nuclei, with results comparable or even better than other conventional density profiles. With the expectation value method (EVM) for microscopic corrections we checked our new densities for spherical nuclei. The binding energies of ground states almost reproduce the Hartree-Fock (HF) calculations exactly. Further applications to nuclei far away from the β-stability line are discussed.

Neutron star radii, universal relations, and the role of prior distributions

DOE PAGES

Steiner, Andrew W.; Lattimer, James M.; Brown, Edward F.

2016-02-02

We investigate constraints on neutron star structure arising from the assumptions that neutron stars have crusts, that recent calculations of pure neutron matter limit the equation of state of neutron star matter near the nuclear saturation density, that the high-density equation of state is limited by causality and the largest high-accuracy neutron star mass measurement, and that general relativity is the correct theory of gravity. We explore the role of prior assumptions by considering two classes of equation of state models. In a first, the intermediate- and high-density behavior of the equation of state is parameterized by piecewise polytropes. Inmore » the second class, the high-density behavior of the equation of state is parameterized by piecewise continuous line segments. The smallest density at which high-density matter appears is varied in order to allow for strong phase transitions above the nuclear saturation density. We critically examine correlations among the pressure of matter, radii, maximum masses, the binding energy, the moment of inertia, and the tidal deformability, paying special attention to the sensitivity of these correlations to prior assumptions about the equation of state. It is possible to constrain the radii of 1.4 solar mass neutron stars to be larger than 10 km, even without consideration of additional astrophysical observations, for example, those from photospheric radius expansion bursts or quiescent low-mass X-ray binaries. We are able to improve the accuracy of known correlations between the moment of inertia and compactness as well as the binding energy and compactness. Furthermore, we also demonstrate the existence of a correlation between the neutron star binding energy and the moment of inertia.« less

Metalloid Aluminum Clusters with Fluorine

DTIC Science & Technology

2016-12-01

molecular dynamics, binding energy , siesta code, density of states, projected density of states 15. NUMBER OF PAGES 69 16. PRICE CODE 17. SECURITY...high energy density compared to explosives, but typically release this energy slowly via diffusion-limited combustion. There is recent interest in using...examine the cluster binding energy and electronic structure. Partial fluorine substitution in a prototypical aluminum-cyclopentadienyl cluster results

Density of states, optical and thermoelectric properties of perovskite vanadium fluorides Na3VF6

NASA Astrophysics Data System (ADS)

Reshak, A. H.; Azam, Sikander

2014-05-01

The electronic structure, charge density and Fermi surface of Na3VF6 compound have been examined with the support of density functional theory (DFT). Using the full potential linear augmented plane wave method, we employed the local density approximation (LDA), generalized gradient approximation (GGA) and Engel-Vosko GGA (EVGGA) to treat the exchange correlation potential to solve Kohn-Sham equations. The calculation show that Na3VF6 compound has metallic nature and the Fermi energy (EF) is assessed by overlapping of V-d state. The calculated density of states at the EF are about 18.655, 51.932 and 13.235 states/eV, and the bare linear low-temperature electronic specific heat coefficient (γ) is found to be 3.236 mJ/mol-K2, 9.008 mJ/mol-K2 and 2.295 mJ/mol-K2 for LDA, GGA and EVGGA, respectively. The Fermi surface is composed of two sheets. The chemical bonding of Na3VF6 compound is analyzed through the electronic charge density in the (1 1 0) crystallographic plane. The optical constants and thermal properties were also calculated and discussed.

Exact differential equation for the density and ionization energy of a many-particle system

NASA Technical Reports Server (NTRS)

Levy, M.; Perdew, J. P.; Sahni, V.

1984-01-01

The present investigation is concerned with relations studied by Hohenberg and Kohn (1964) and Kohn and Sham (1965). The properties of a ground-state many-electron system are determined by the electron density. The correct differential equation for the density, as dictated by density-functional theory, is presented. It is found that the ground-state density n of a many-electron system obeys a Schroedinger-like differential equation which may be solved by standard Kohn-Sham programs. Results are connected to the traditional exact Kohn-Sham theory. It is pointed out that the results of the current investigations are readily extended to spin-density functional theory.

An investigation of Ar metastable state density in low pressure dual-frequency capacitively coupled argon and argon-diluted plasmas

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

Liu, Wen-Yao; Xu, Yong, E-mail: yongxu@dlut.edu.cn; Peng, Fei

2015-01-14

An tunable diode laser absorption spectroscopy has been used to determine the Ar*({sup 3}P{sub 2}) and Ar*({sup 3}P{sub 0}) metastable atoms densities in dual-frequency capacitively coupled plasmas. The effects of different control parameters, such as high-frequency power, gas pressure and content of Ar, on the densities of two metastable atoms and electron density were discussed in single-frequency and dual-frequency Ar discharges, respectively. Particularly, the effects of the pressure on the axial profile of the electron and Ar metastable state densities were also discussed. Furthermore, a simple rate model was employed and its results were compared with experiments to analyze themore » main production and loss processes of Ar metastable states. It is found that Ar metastable state is mainly produced by electron impact excitation from the ground state, and decayed by diffusion and collision quenching with electrons and neutral molecules. Besides, the addition of CF{sub 4} was found to significantly increase the metastable destruction rate by the CF{sub 4} quenching, especially for large CF{sub 4} content and high pressure, it becomes the dominant depopulation process.« less

Cosmological implications of the transition from the false vacuum to the true vacuum state

NASA Astrophysics Data System (ADS)

Stachowski, Aleksander; Szydłowski, Marek; Urbanowski, Krzysztof

2017-06-01

We study cosmology with running dark energy. The energy density of dark energy is obtained from the quantum process of transition from the false vacuum state to the true vacuum state. We use the Breit-Wigner energy distribution function to model the quantum unstable systems and obtain the energy density of the dark energy parametrization ρ _ {de}(t). We also use Krauss and Dent's idea linking properties of the quantum mechanical decay of unstable states with the properties of the observed Universe. In the cosmological model with this parametrization there is an energy transfer between dark matter and dark energy. The intensity of this process, measured by a parameter α , distinguishes two scenarios. As the Universe starts from the false vacuum state, for the small value of α (0<α <0.4) it goes through an intermediate oscillatory (quantum) regime of the density of dark energy, while for α > 0.4 the density of the dark energy jumps down. In both cases the present value of the density of dark energy is reached. From a statistical analysis we find this model to be in good agreement with the astronomical data and practically indistinguishable from the Λ CDM model.

The structural, electronic and dynamic properties of the L1{sub 2}- type Co{sub 3}Ti alloy

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

Arikan, Nihat; Özduran, Mustafa

2014-10-06

The structural, electronic and dynamic properties of the cubic Co{sub 3}Ti alloy in L1{sub 2} structure have been investigated using a pseudopotential plane wave (PP-PW) method within the generalized gradient approximation proposed by Perdew–Burke–Ernzerhof (GGA-PBE). The structural properties, including the lattice constant, the bulk modulus and its pressure derivative agree reasonably with the previous results. The density of state (DOS), projected density of state (PDOS) and electronic band structure are also reported. The DOS shows that Co{sub 3}Ti alloy has a metallic character since the energy bands cross the Fermi level. The density of states at Fermi level mainly comesmore » from the Co-3d states. Phonon dispersion curves and their corresponding total densities of states were obtained using a linear response in the framework of the density functional perturbation theory. All computed phonon frequencies are no imaginer and thus, Co{sub 3}Ti alloy is dynamically stable. The zone center phonon modes have been founded to be 9.307, 9.626 and 13.891 THz for Co{sub 3}Ti.« less

Gentlest ascent dynamics for calculating first excited state and exploring energy landscape of Kohn-Sham density functionals.

PubMed

Li, Chen; Lu, Jianfeng; Yang, Weitao

2015-12-14

We develop the gentlest ascent dynamics for Kohn-Sham density functional theory to search for the index-1 saddle points on the energy landscape of the Kohn-Sham density functionals. These stationary solutions correspond to excited states in the ground state functionals. As shown by various examples, the first excited states of many chemical systems are given by these index-1 saddle points. Our novel approach provides an alternative, more robust way to obtain these excited states, compared with the widely used ΔSCF approach. The method can be easily generalized to target higher index saddle points. Our results also reveal the physical interest and relevance of studying the Kohn-Sham energy landscape.

Symmetry lowering of pentacene molecular states interacting with a Cu surface

NASA Astrophysics Data System (ADS)

Baldacchini, Chiara; Mariani, Carlo; Betti, Maria Grazia; Vobornik, Ivana; Fujii, Jun; Annese, Emilia; Rossi, Giorgio; Ferretti, Andrea; Calzolari, Arrigo; di Felice, Rosa; Ruini, Alice; Molinari, Elisa

2007-12-01

Pentacene adsorbed on the Cu(119) vicinal surface forms long-range ordered chain structures. Photoemission spectroscopy measurements and ab initio density functional theory simulations provide consistent evidences that pentacene molecular orbitals mix with the copper bands, giving rise to interaction states localized at the interface. Angular-resolved and polarization dependent photoemission spectroscopy shows that most of the pentacene derived intensity is strongly dichroic. The symmetry of the molecular states of the free pentacene molecules is reduced upon adsorption on Cu(119), as a consequence of the molecule-metal interaction. Theoretical results show a redistribution of the charge density in π molecular states close to the Fermi level, consistent with the photoemission intensities (density of states) and polarization dependence (orbital symmetry).

Probing the 5 f electrons in Am-I by hybrid density functional theory

NASA Astrophysics Data System (ADS)

Atta-Fynn, Raymond; Ray, Asok K.

2009-11-01

The ground states of the actinides and their compounds continue to be matters of considerable controversies. Experimentally, Americium-I (Am-I) is a non-magnetic dhcp metal whereas theoretically an anti-ferromagnetic ground state is predicted. We show that hybrid density functional theory, which admixes a fraction, λ, of exact Hartree-Fock (HF) exchange with approximate DFT exchange, can correctly reproduce the ground state properties of Am. In particular, for λ=0.40, we obtain a non-magnetic ground state with equilibrium atomic volume, bulk modulus, 5 f electron population, and the density of electronic states all in good agreement with experimental data. We argue that the exact HF exchange corrects the overestimation of the approximate DFT exchange interaction.

Cooling of Compact Stars with Nucleon Superfluidity and Quark Superconductivity

NASA Astrophysics Data System (ADS)

Noda, Tsuneo; Hashimoto, Masa-aki; Yasutake, Nobutoshi; Maruyama, Toshiki; Tatsumi, Toshitaka

We show a cooling scenario of compact stars to satisfy recent observations of compact stars. The central density of compact stars can exceed the nuclear density, and it is considered that many hadronic phases appear at such a density. It is discussed that neutron superfluidity (1S0 for lower density, and 3P2 for higher density) and proton superfluidity/superconductivity (1S0) appears in all compact stars. And some "Exotic" states are considered to appear in compact stars, such as meson condensation, hyperon mixing, deconfinement of quarks and quark colour superconductivity. These exotic states appear at the density region above the threshold densities of each state. We demonstrate the thermal evolution of isolated compact stars, adopting the effects of nucleon superfluidity and quark colour superconductivity. We assume large gap energy (Δ > 10 MeV) for colour superconducting quark phase, and include the effects of nucleon superfluidity with parametrised models. We simulate the cooling history of compact stars, and shows that the heavier star does not always cool faster than lighter one, which is determined by the parameters of neutron 3P2 superfluidity.

Data Encoding using Periodic Nano-Optical Features

NASA Astrophysics Data System (ADS)

Vosoogh-Grayli, Siamack

Successful trials have been made through a designed algorithm to quantize, compress and optically encode unsigned 8 bit integer values in the form of images using Nano optical features. The periodicity of the Nano-scale features (Nano-gratings) have been designed and investigated both theoretically and experimentally to create distinct states of variation (three on states and one off state). The use of easy to manufacture and machine readable encoded data in secured authentication media has been employed previously in bar-codes for bi-state (binary) models and in color barcodes for multiple state models. This work has focused on implementing 4 states of variation for unit information through periodic Nano-optical structures that separate an incident wavelength into distinct colors (variation states) in order to create an encoding system. Compared to barcodes and magnetic stripes in secured finite length storage media the proposed system encodes and stores more data. The benefits of multiple states of variation in an encoding unit are 1) increased numerically representable range 2) increased storage density and 3) decreased number of typical set elements for any ergodic or semi-ergodic source that emits these encoding units. A thorough investigation has targeted the effects of the use of multi-varied state Nano-optical features on data storage density and consequent data transmission rates. The results show that use of Nano-optical features for encoding data yields a data storage density of circa 800 Kbits/in2 via the implementation of commercially available high resolution flatbed scanner systems for readout. Such storage density is far greater than commercial finite length secured storage media such as Barcode family with maximum practical density of 1kbits/in2 and highest density magnetic stripe cards with maximum density circa 3 Kbits/in2. The numerically representable range of the proposed encoding unit for 4 states of variation is [0 255]. The number of typical set elements for an ergodic source emitting the optical encoding units compared to a bi-state encoding unit (bit) shows a 36 orders of magnitude decrease for the error probability interval of [0 0.01]. The algorithms for the proposed encoding system have been implemented in MATLAB and the Nano-optical structures have been fabricated using Electron Beam Lithography on optical medium.

Characterization of edge turbulence in different states of divertor detachment using reflectometry in the ASDEX Upgrade tokamak

NASA Astrophysics Data System (ADS)

Nikolaeva, V.; Guimarais, L.; Manz, P.; Carralero, D.; Manso, M. E.; Stroth, U.; Silva, C.; Conway, G. D.; Seliunin, E.; Vicente, J.; Brida, D.; Aguiam, D.; Santos, J.; Silva, A.; ASDEX Upgrade team; MST1 team

2018-05-01

Transport in the scrape-off layer (SOL) depends on the state of divertor detachment. L-mode discharges were analyzed where the state of divertor detachment is varied through a density ramp-up. By means of reflectometry measurements at the low (LFS) and the high field side (HFS), midplane density fluctuations are studied for the first time in ASDEX Upgrade simultaneously at both sides of the tokamak. Radial density fluctuation profiles (δ {n}e/{n}e) increase with radius in both the HFS and the LFS. It is found that in the SOL density fluctuations at the LFS have about a factor of two larger amplitude than at the HFS in agreement with ballooned transport. Density fluctuations at the LFS show a modest variation with increasing background density resulting mainly from a rise of low frequency components. Experimental results are in good agreement with an enhanced convection of filaments at the LFS at the beginning of outer divertor detachment leading to a flatter SOL density profile. In this phase of the discharge, density fluctuations measured at the HFS far-SOL display a strong increase, which may be associated with the presence of faster filaments originated at the LFS.

Ground-state properties of light kaonic nuclei signaling symmetry energy at high densities

NASA Astrophysics Data System (ADS)

Yang, Rongyao; Wei, Sina; Jiang, Weizhou

2018-01-01

A sensitive correlation between the ground-state properties of light kaonic nuclei and the symmetry energy at high densities is constructed under the framework of relativistic mean-field theory. Taking oxygen isotopes as an example, we see that a high-density core is produced in kaonic oxygen nuclei, due to the strongly attractive antikaon-nucleon interaction. It is found that the 1{S}1/2 state energy in the high-density core of kaonic nuclei can directly probe the variation of the symmetry energy at supranormal nuclear density, and a sensitive correlation between the neutron skin thickness and the symmetry energy at supranormal density is established directly. Meanwhile, the sensitivity of the neutron skin thickness to the low-density slope of the symmetry energy is greatly increased in the corresponding kaonic nuclei. These sensitive relationships are established upon the fact that the isovector potential in the central region of kaonic nuclei becomes very sensitive to the variation of the symmetry energy. These findings might provide another perspective to constrain high-density symmetry energy, and await experimental verification in the future. Supported by National Natural Science Foundation of China (11775049, 11275048) and the China Jiangsu Provincial Natural Science Foundation (BK20131286)

Symmetry properties of the electron density and following from it limits on the KS-DFT applications

NASA Astrophysics Data System (ADS)

Kaplan, Ilya G.

2018-03-01

At present, the Density Functional Theory (DFT) approach elaborated by Kohn with co-authors more than 50 years ago became the most widely used method for study molecules and solids. Using modern computation facilities, it can be applied to systems with million atoms. In the atmosphere of such great popularity, it is particularly important to know the limits of the applicability of DFT methods. In this report, I will discuss two cases when the conventional DFT approaches, using only electron density ρ and its gradients, cannot be applied (I will not consider the Ψ-versions of DFT). The first case is quite evident. In the degenerated states, the electron density may not be defined, since electronic and nuclear motions cannot be separated, the vibronic interaction mixed them. The second case is related to the spin of the state. As it was rigorously proved by group theoretical methods at the theorem level, the electron density does not depend on the total spin S of the arbitrary N-electron state. It means that the Kohn-Sham equations have the same form for states with different S. The critical survey of elaborated DFT procedures, taking into account spin, shows that they modified only exchange functionals, the correlation functionals do not correspond to the spin of the state. The point is that the conception of spin cannot be defined in the framework of the electron density formalism, which corresponds to the one-particle reduced density matrix. This is the main reason of the problems arising in the study by DFT of magnetic properties of the transition metals. The possible way of resolving these problems can be found in the two-particle reduced density matrix formulation of DFT.

Excited State Charge Transfer reaction with dual emission from 5-(4-dimethylamino-phenyl)-penta-2,4-dienenitrile: Spectral measurement and theoretical density functional theory calculation

NASA Astrophysics Data System (ADS)

Jana, Sankar; Dalapati, Sasanka; Ghosh, Shalini; Kar, Samiran; Guchhait, Nikhil

2011-07-01

The excited state intramolecular charge transfer process in donor-chromophore-acceptor system 5-(4-dimethylamino-phenyl)-penta-2,4-dienenitrile (DMAPPDN) has been investigated by steady state absorption and emission spectroscopy in combination with Density Functional Theory (DFT) calculations. This flexible donor acceptor molecule DMAPPDN shows dual fluorescence corresponding to emission from locally excited and charge transfer state in polar solvent. Large solvatochromic emission shift, effect of variation of pH and HOMO-LUMO molecular orbital pictures support excited state intramolecular charge transfer process. The experimental findings have been correlated with the calculated structure and potential energy surfaces based on the Twisted Intramolecular Charge Transfer (TICT) model obtained at DFT level using B3LYP functional and 6-31+G( d, p) basis set. The theoretical potential energy surfaces for the excited states have been generated in vacuo and acetonitrile solvent using Time Dependent Density Functional Theory (TDDFT) and Time Dependent Density Functional Theory Polarized Continuum Model (TDDFT-PCM) method, respectively. All the theoretical results show well agreement with the experimental observations.

Achieving High-Energy-High-Power Density in a Flexible Quasi-Solid-State Sodium Ion Capacitor.

PubMed

Li, Hongsen; Peng, Lele; Zhu, Yue; Zhang, Xiaogang; Yu, Guihua

2016-09-14

Simultaneous integration of high-energy output with high-power delivery is a major challenge for electrochemical energy storage systems, limiting dual fine attributes on a device. We introduce a quasi-solid-state sodium ion capacitor (NIC) based on a battery type urchin-like Na2Ti3O7 anode and a capacitor type peanut shell derived carbon cathode, using a sodium ion conducting gel polymer as electrolyte, achieving high-energy-high-power characteristics in solid state. Energy densities can reach 111.2 Wh kg(-1) at power density of 800 W kg(-1), and 33.2 Wh kg(-1) at power density of 11200 W kg(-1), which are among the best reported state-of-the-art NICs. The designed device also exhibits long-term cycling stability over 3000 cycles with capacity retention ∼86%. Furthermore, we demonstrate the assembly of a highly flexible quasi-solid-state NIC and it shows no obvious capacity loss under different bending conditions.

Electron Scattering from MERCURY-198 and Mercury -204.

NASA Astrophysics Data System (ADS)

Laksanaboonsong, Jarungsaeng

This experiment is the first electron scattering study on mercury isotopes. Electron scattering from ^{198}Hg and ^{204 }Hg has been performed at the NIKHEF-K Medium Energy Accelerator. Measured cross sections cover an effective momentum transfer range from 0.4 to 2.9 fm^ {-1}. Elastic cross sections were determined for scattering from both isotopes. Cross section for inelastic excitations in ^{198}Hg below 3 MeV were also determined. Measured cross sections were fit using DWBA phase shift codes to determine coefficients for Fourier-Bessel expansions of ground state and transition charge densities. Differences between the ground state charge densities of the two isotopes reveal the effect of the polarization of the proton core in response to the addition of neutrons. Spin and parity of several excited states of ^{198}Hg were determined. Extracted transition densities of these states show their predominantly collective nature. Charge densities for members of the ground state rotational band were compared with axially symmetric Hartree-Fock and geometrical model predictions.

The Wang Landau parallel algorithm for the simple grids. Optimizing OpenMPI parallel implementation

NASA Astrophysics Data System (ADS)

Kussainov, A. S.

2017-12-01

The Wang Landau Monte Carlo algorithm to calculate density of states for the different simple spin lattices was implemented. The energy space was split between the individual threads and balanced according to the expected runtime for the individual processes. Custom spin clustering mechanism, necessary for overcoming of the critical slowdown in the certain energy subspaces, was devised. Stable reconstruction of the density of states was of primary importance. Some data post-processing techniques were involved to produce the expected smooth density of states.

Comprendre. La diffusion Raman exaltée de surface

NASA Astrophysics Data System (ADS)

Boubekeur-Lecaque, Leïla; Felidj, Nordin; Lamy de la Chapelle, Marc

2018-02-01

La spectroscopie Raman est une spectroscopie vibrationnelle très peu sensible qui limite l'analyse d'espèces chimiques aux fortes concentrations. Néanmoins, lorsque des molécules sont placées au voisinage d'une surface métallique nanostructurée, il est possible d'exalter considérablement leur signature Raman. On parle alors de diffusion Raman exaltée de surface. Les remarquables potentialités de cette technique ont nourri de nombreux champs d'étude tant pour le design de substrats dits SERS-actifs, que pour l'exploration d'applications en médecine, pharmacologie, défense ou le monde de l'art.

Chemoselective Amination of Propargylic C(sp3)–H Bonds via Co(II)-Based Metalloradical Catalysis**

PubMed Central

Li, Chaoqun; Jiang, Huiling; Lizardi, Christopher L.

2014-01-01

Highly chemoselective intramolecular amination of propargylic C(sp3)–H bonds has been demonstrated for N-bishomopropargylic sulfamoyl azides via Co(II)-based metalloradical catalysis. Supported by D2h-symmetric amidoporphyrin ligand 3,5-DitBu-IbuPhyrin, the Co(II)-catalyzed C–H amination process can proceed effectively under neutral and nonoxidative conditions without the need of any additives, generating N2 as the only byproduct. The metalloradical amination is suitable to both secondary and tertiary propargylic C–H substrates with an unusually high degree of functional group tolerance, providing a direct method for high-yielding synthesis of functionalized propargylamine derivatives. PMID:24840605

Theoretical study of the density of states and magnetic properties of LaCoO3

NASA Astrophysics Data System (ADS)

Zhuang, Min; Zhang, Weiyi; Hu, Cheng; Ming, Naiben

1998-05-01

The density of states and magnetic properties of low-spin, high-spin, and mixing states of LaCoO3 have been studied within the unrestricted Hartree-Fock approximation. The real-space recursion method is adopted for computing the electronic structure of the disordered system. The paramagnetic high-spin state is dealt with using the usual binary alloy coherent potential approximation (CPA); an extended trinary alloy CPA approximation is developed to describe the mixing state. In agreement with experiments, our results show that the main features of the quasiparticle spectra in the mixing state are not a sensitive function of the high-spin component, but the spectrum does get broadened due to spin scattering. The increasing of the high-spin component also results in a pileup of the density of states at the Fermi energy which indicates an insulator to metal phase transition. Some limitations of the present approach are also discussed.

Searching for a 4 α linear-chain structure in excited states of 16O with covariant density functional theory

NASA Astrophysics Data System (ADS)

Yao, J. M.; Itagaki, N.; Meng, J.

2014-11-01

A study of the 4 α linear-chain structure in high-lying collective excitation states of 16O with covariant density functional theory is presented. The low-spin states are obtained by configuration mixing of particle-number and angular-momentum projected quadrupole deformed mean-field states with the generator coordinate method. The high-spin states are determined by cranking calculations. These two calculations are based on the same energy density functional PC-PK1. We have found a rotational band at low spin with the dominant intrinsic configuration considered to be the one whereby 4 α clusters stay along a common axis. The strongly deformed rod shape also appears in the high-spin region with the angular momentum 13 ℏ to18 ℏ ; however, whether the state is a pure 4 α linear chain is less obvious than for the low-spin states.

Self-Consistent Optimization of Excited States within Density-Functional Tight-Binding.

PubMed

Kowalczyk, Tim; Le, Khoa; Irle, Stephan

2016-01-12

We present an implementation of energies and gradients for the ΔDFTB method, an analogue of Δ-self-consistent-field density functional theory (ΔSCF) within density-functional tight-binding, for the lowest singlet excited state of closed-shell molecules. Benchmarks of ΔDFTB excitation energies, optimized geometries, Stokes shifts, and vibrational frequencies reveal that ΔDFTB provides a qualitatively correct description of changes in molecular geometries and vibrational frequencies due to excited-state relaxation. The accuracy of ΔDFTB Stokes shifts is comparable to that of ΔSCF-DFT, and ΔDFTB performs similarly to ΔSCF with the PBE functional for vertical excitation energies of larger chromophores where the need for efficient excited-state methods is most urgent. We provide some justification for the use of an excited-state reference density in the DFTB expansion of the electronic energy and demonstrate that ΔDFTB preserves many of the properties of its parent ΔSCF approach. This implementation fills an important gap in the extended framework of DFTB, where access to excited states has been limited to the time-dependent linear-response approach, and affords access to rapid exploration of a valuable class of excited-state potential energy surfaces.

Properties of the electrostatically driven helical plasma state

NASA Astrophysics Data System (ADS)

Akçay, Cihan; Finn, John M.; Nebel, Richard A.; Barnes, Daniel C.; Martin, Neal

2018-02-01

A novel plasma state has been found [Akçay et al., Phys. Plasmas 24, 052503 (2017)] in the presence of a uniform applied axial magnetic field in periodic cylindrical geometry. This state is driven by external electrostatic fields provided by helical electrodes with a (m =1 ,n =1 ) (helical) symmetry where m and n represent the poloidal and axial harmonics. The resulting plasma is a function of the cylinder radius r

Extreme plasma states in laser-governed vacuum breakdown.

PubMed

Efimenko, Evgeny S; Bashinov, Aleksei V; Bastrakov, Sergei I; Gonoskov, Arkady A; Muraviev, Alexander A; Meyerov, Iosif B; Kim, Arkady V; Sergeev, Alexander M

2018-02-05

Triggering vacuum breakdown at laser facility is expected to provide rapid electron-positron pair production for studies in laboratory astrophysics and fundamental physics. However, the density of the produced plasma may cease to increase at a relativistic critical density, when the plasma becomes opaque. Here, we identify the opportunity of breaking this limit using optimal beam configuration of petawatt-class lasers. Tightly focused laser fields allow generating plasma in a small focal volume much less than λ 3 and creating extreme plasma states in terms of density and produced currents. These states can be regarded to be a new object of nonlinear plasma physics. Using 3D QED-PIC simulations we demonstrate a possibility of reaching densities over 10 25  cm -3 , which is an order of magnitude higher than expected earlier. Controlling the process via initial target parameters provides an opportunity to reach the discovered plasma states at the upcoming laser facilities.

The impact of hot charge carrier mobility on photocurrent losses in polymer-based solar cells

PubMed Central

Philippa, Bronson; Stolterfoht, Martin; Burn, Paul L.; Juška, Gytis; Meredith, Paul; White, Ronald D.; Pivrikas, Almantas

2014-01-01

A typical signature of charge extraction in disordered organic systems is dispersive transport, which implies a distribution of charge carrier mobilities that negatively impact on device performance. Dispersive transport has been commonly understood to originate from a time-dependent mobility of hot charge carriers that reduces as excess energy is lost during relaxation in the density of states. In contrast, we show via photon energy, electric field and film thickness independence of carrier mobilities that the dispersive photocurrent in organic solar cells originates not from the loss of excess energy during hot carrier thermalization, but rather from the loss of carrier density to trap states during transport. Our results emphasize that further efforts should be directed to minimizing the density of trap states, rather than controlling energetic relaxation of hot carriers within the density of states. PMID:25047086

Effect of electron-phonon coupling on energy and density of states renormalizations of dynamically screened graphene

NASA Astrophysics Data System (ADS)

Leblanc, J. P. F.; Carbotte, J. P.; Nicol, E. J.

2012-02-01

Motivated by recent tunneling and angle-resolved photoemission (ARPES) work [1,2], we explore the combined effect of electron-electron and electron-phonon couplings on the renormalized energy dispersion, the spectral function, and the density of states of doped graphene. We find that the plasmarons seen in ARPES are also observable in the density of states and appear as structures with quadratic dependence on energy about the minima. Further, we illustrate how knowledge of the slopes of both the density of states and the renormalized dispersion near the Fermi level can allow for the separation of momentum and frequency dependent renormalizations to the Fermi velocity. This analysis should allow for the isolation of the renormalization due to the electron-phonon interaction from that of the electron-electron interaction. [4pt] [1] Brar et al. Phys. Rev. Lett. 104, 036805 (2010) [2] Bostwick et al. Science 328, p.999 (2010)

Magnetic behavior study of samarium nitride using density functional theory

NASA Astrophysics Data System (ADS)

Som, Narayan N.; Mankad, Venu H.; Dabhi, Shweta D.; Patel, Anjali; Jha, Prafulla K.

2018-02-01

In this work, the state-of-art density functional theory is employed to study the structural, electronic and magnetic properties of samarium nitride (SmN). We have performed calculation for both ferromagnetic and antiferromagnetic states in rock-salt phase. The calculated results of optimized lattice parameter and magnetic moment agree well with the available experimental and theoretical values. From energy band diagram and electronic density of states, we observe a half-metallic behaviour in FM phase of rock salt SmN in while metallicity in AFM I and AFM III phases. We present and discuss our current understanding of the possible half-metallicity together with the magnetic ordering in SmN. The calculated phonon dispersion curves shows dynamical stability of the considered structures. The phonon density of states and Eliashberg functional have also been analysed to understand the superconductivity in SmN.

Simultaneous estimation of plasma parameters from spectroscopic data of neutral helium using least square fitting of CR-model

NASA Astrophysics Data System (ADS)

Jain, Jalaj; Prakash, Ram; Vyas, Gheesa Lal; Pal, Udit Narayan; Chowdhuri, Malay Bikas; Manchanda, Ranjana; Halder, Nilanjan; Choyal, Yaduvendra

2015-12-01

In the present work an effort has been made to estimate the plasma parameters simultaneously like—electron density, electron temperature, ground state atom density, ground state ion density and metastable state density from the observed visible spectra of penning plasma discharge (PPD) source using least square fitting. The analysis is performed for the prominently observed neutral helium lines. The atomic data and analysis structure (ADAS) database is used to provide the required collisional-radiative (CR) photon emissivity coefficients (PECs) values under the optical thin plasma condition in the analysis. With this condition the estimated plasma temperature from the PPD is found rather high. It is seen that the inclusion of opacity in the observed spectral lines through PECs and addition of diffusion of neutrals and metastable state species in the CR-model code analysis improves the electron temperature estimation in the simultaneous measurement.

Variable-density thinning for parks and reserves: An experimental case study at Humboldt Redwoods State Park, California

Treesearch

Christopher R. Keyes; Thomas E. Perry; Jesse F. Plummer

2010-01-01

Variable-density thinning is emerging as a valuable tool for the silvicultural promotion of old-growth conditions in second-growth forests of the Pacific Coast. This paper reports on an experimental variable-density thinning prescription applied between 2006 and 2007 at north coastal California’s Humboldt Redwoods State Park. The prescription strategy relied on known...

Compressed Liquid Densities and Helmholtz Energy Equation of State for Fluoroethane (R161)

NASA Astrophysics Data System (ADS)

Qi, Haiyan; Fang, Dan; Gao, Kehui; Meng, Xianyang; Wu, Jiangtao

2016-06-01

In this study, compressed liquid densities of Fluoroethane (R161, CAS No. 353-36-6) were measured using a high-pressure vibrating-tube densimeter over the temperature range from (283 to 363) K with pressures up to 100 MPa. A Helmholtz energy equation of state for R161 was developed from these density measurements and other experimental thermodynamic property data from the literature. The formulation is valid for temperatures from the triple point temperature of 130 K to 420 K with pressures up to 100 MPa. The approximate uncertainties of properties calculated with the new equation of state are estimated to be 0.25 % in density, 0.2 % in saturated liquid density between 230 K and 320 K, and 0.2 % in vapor pressure below 350 K. Deviations in the critical region are higher for all properties. The extrapolation behavior of the new formulation at high temperatures and high pressures is reasonable.

Head-on collision of multistate ultralight BEC dark matter configurations

NASA Astrophysics Data System (ADS)

Guzmán, F. S.; Avilez, Ana A.

2018-06-01

Density profiles of ultralight Bose-condensate dark matter inferred from numerical simulations of structure formation, ruled by the Gross-Pitaevskii-Poisson (GPP) system of equations, have a core-tail structure. Multistate equilibrium configurations of the GPP system, on the other hand, have a similar core-tail density profile. We now submit these multistate configurations to highly dynamical scenarios and show their potential as providers of appropriate density profiles of structures. We present the simulation of head-on collisions between two equilibrium configurations of the GPP system of equations, including the collision of ground state with multistate configurations. We study the regimes of solitonic and merger behavior and show generic properties of the dynamics of the system, including the relaxation process and attractor density profiles. We show that the merger of multistate configurations has the potential to produce core-tail density profiles, with the core dominated by the ground state and the halo dominated by an additional state.

Electronic structure calculations of PbS quantum rods and tubes

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

Pimachev, Artem; Dahnovsky, Yuri, E-mail: yurid@uwyo.edu

2014-01-28

We study absorption spectra, optical and HOMO-LUMO gaps, and the density of states for PbS quantum rods (QRs) and tubes (QTs). We find some similarities and also differences in QR and QT properties. For both QRs and QTs, the optical and HOMO-LUMO gaps reach the plateaus for small lengths. We find that tubes are as stable as rods. The optical spectra exhibit a peak that can be due to the electron-hole interaction or be a prototype of an S{sub e}–S{sub h} transition in the effective mass approximation. We also calculate the density of states by the density functional theory (DFT)more » and time-dependent density functional theory (TDDFT) methods. The TDDFT density of states function is shifted towards the red side by 0.5 eV indicating the strong e-h interaction.« less

Isochoric Heating of Solid-Density Matter with an Ultrafast Proton Beam

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

Key, M H; Mackinnon, A J; Patel, P K

A new technique is described for the isochoric heating (i.e., heating at constant volume) of matter to high energy-density plasma states (>10{sup 5} J/g) on a picosecond timescale (10{sup -12} sec). An intense, collimated, ultrashort-pulse beam of protons--generated by a high-intensity laser pulse--is used to isochorically heat a solid density material to a temperature of several eV. The duration of heating is shorter than the timescale for significant hydrodynamic expansion to occur, hence the material is heated to a solid density warm dense plasma state. Using spherically-shaped laser targets a focused proton beam is produced and used to heat amore » smaller volume to over 20 eV. The technique described of ultrafast proton heating provides a unique method for creating isochorically heated high-energy density plasma states.« less

Electronic and thermal properties of germanene and stanene by first-principles calculations

NASA Astrophysics Data System (ADS)

Jomehpour Zaveh, S.; Roknabadi, M. R.; Morshedloo, T.; Modarresi, M.

2016-03-01

The electronic, vibrational and thermal properties of germanene and stanene have been investigated based on density functional theory (DFT) and density functional perturbation theory (DFPT). The electronic band structure, total and partial density of states and phonon dispersion spectrum and states are analyzed. The phonon spectrum is positive for all modes in the first Brillouin zone and there is a phonon energy band gap between acoustic and optical modes which is around 50 cm-1 for both structure. The constant-volume specific heats of two structures are calculated by using phonon spectrum and density of states. The spin-orbit coupling (SOC) opens a direct energy band gap at the Dirac point, softens phonon spectrum and decreases phonon group velocity of ZA mode.

Multiconfiguration Pair-Density Functional Theory Is as Accurate as CASPT2 for Electronic Excitation.

PubMed

Hoyer, Chad E; Ghosh, Soumen; Truhlar, Donald G; Gagliardi, Laura

2016-02-04

A correct description of electronically excited states is critical to the interpretation of visible-ultraviolet spectra, photochemical reactions, and excited-state charge-transfer processes in chemical systems. We have recently proposed a theory called multiconfiguration pair-density functional theory (MC-PDFT), which is based on a combination of multiconfiguration wave function theory and a new kind of density functional called an on-top density functional. Here, we show that MC-PDFT with a first-generation on-top density functional performs as well as CASPT2 for an organic chemistry database including valence, Rydberg, and charge-transfer excitations. The results are very encouraging for practical applications.

An evaluation of random analysis methods for the determination of panel damping

NASA Technical Reports Server (NTRS)

Bhat, W. V.; Wilby, J. F.

1972-01-01

An analysis is made of steady-state and non-steady-state methods for the measurement of panel damping. Particular emphasis is placed on the use of random process techniques in conjunction with digital data reduction methods. The steady-state methods considered use the response power spectral density, response autocorrelation, excitation-response crosspower spectral density, or single-sided Fourier transform (SSFT) of the response autocorrelation function. Non-steady-state methods are associated mainly with the use of rapid frequency sweep excitation. Problems associated with the practical application of each method are evaluated with specific reference to the case of a panel exposed to a turbulent airflow, and two methods, the power spectral density and the single-sided Fourier transform methods, are selected as being the most suitable. These two methods are demonstrated experimentally, and it is shown that the power spectral density method is satisfactory under most conditions, provided that appropriate corrections are applied to account for filter bandwidth and background noise errors. Thus, the response power spectral density method is recommended for the measurement of the damping of panels exposed to a moving airflow.

Children's Access to Dental Care Affected by Reimbursement Rates, Dentist Density, and Dentist Participation in Medicaid.

PubMed

Chalmers, Natalia I; Compton, Robert D

2017-10-01

To assess the relation between Medicaid reimbursement rates and access to dental care services in the context of dentist density and dentist participation in Medicaid in each state. Data were from Early and Periodic Screening, Diagnostic, and Treatment reports for 2014, Medicaid reimbursement rate in 2013, dentist density in 2014, and dentist participation in Medicaid in 2014. We assessed patterns of mediation or moderation. Reimbursement rates and access to dental care were directly related at the state level, but no evidence indicated that higher reimbursement rates resulted in overuse of dental services for those who had access. The relation between reimbursement rates and access to care was moderated by dentist density and dentist participation in Medicaid. We estimate that more than 1.8 million additional children would have had access to dental care if reimbursement rates were higher in states with low rates. Children who access the dental care system receive care, but reimbursement may significantly affect access. States with low dentist density and low dentist participation in Medicaid may be able to improve access to dental services significantly by increasing reimbursement rates.

Spin dynamics of possible density wave states in the pseudogap phase of high-temperature superconductors

NASA Astrophysics Data System (ADS)

Hsu, Chen-Hsuan; Wang, Zhiqiang; Chakravarty, Sudip

2012-12-01

In a recent inelastic neutron scattering experiment in the pseudogap state of the high-temperature superconductor YBa2Cu3O6.6, an unusual “vertical” dispersion of the spin excitations with a large in-plane anisotropy was observed. In this paper, we discuss in detail the spin susceptibility of the singlet d-density wave, the triplet d-density wave as well as the more common spin density wave orders with hopping anisotropies. From numerical calculations within the framework of random phase approximation, we find nearly vertical dispersion relations for spin excitations with anisotropic incommensurability at low energy ω≤90meV, which are reminiscent of the experiments. At very high energy ω≥165meV, we also find energy-dependent incommensurability. Although there are some important differences between the three cases, unpolarized neutron measurements cannot discriminate between these alternate possibilities; the vertical dispersion, however, is a distinct feature of all three density wave states in contrast to the superconducting state, which shows an hour-glass shape dispersion.

Entanglement classification in the noninteracting Fermi gas

NASA Astrophysics Data System (ADS)

Jafarizadeh, M. A.; Eghbalifam, F.; Nami, S.; Yahyavi, M.

In this paper, entanglement classification shared among the spins of localized fermions in the noninteracting Fermi gas is studied. It is proven that the Fermi gas density matrix is block diagonal on the basis of the projection operators to the irreducible representations of symmetric group Sn. Every block of density matrix is in the form of the direct product of a matrix and identity matrix. Then it is useful to study entanglement in every block of density matrix separately. The basis of corresponding Hilbert space are identified from the Schur-Weyl duality theorem. Also, it can be shown that the symmetric part of the density matrix is fully separable. Then it has been shown that the entanglement measure which is introduced in Eltschka et al. [New J. Phys. 10, 043104 (2008)] and Guhne et al. [New J. Phys. 7, 229 (2005)], is zero for the even n qubit Fermi gas density matrix. Then by focusing on three spin reduced density matrix, the entanglement classes have been investigated. In three qubit states there is an entanglement measure which is called 3-tangle. It can be shown that 3-tangle is zero for three qubit density matrix, but the density matrix is not biseparable for all possible values of its parameters and its eigenvectors are in the form of W-states. Then an entanglement witness for detecting non-separable state and an entanglement witness for detecting nonbiseparable states, have been introduced for three qubit density matrix by using convex optimization problem. Finally, the four spin reduced density matrix has been investigated by restricting the density matrix to the irreducible representations of Sn. The restricted density matrix to the subspaces of the irreducible representations: Ssym, S3,1 and S2,2 are denoted by ρsym, ρ3,1 and ρ2,2, respectively. It has been shown that some highly entangled classes (by using the results of Miyake [Phys. Rev. A 67, 012108 (2003)] for entanglement classification) do not exist in the blocks of density matrix ρ3,1 and ρ2,2, so these classes do not exist in the total Fermi gas density matrix.

Excited level populations and excitation kinetics of nonequilibrium ionizing argon discharge plasma of atmospheric pressure

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

Akatsuka, Hiroshi

2009-04-15

Population densities of excited states of argon atoms are theoretically examined for ionizing argon plasma in a state of nonequilibrium under atmospheric pressure from the viewpoint of elementary processes with collisional radiative model. The dependence of excited state populations on the electron and gas temperatures is discussed. Two electron density regimes are found, which are distinguished by the population and depopulation mechanisms for the excited states in problem. When the electron impact excitation frequency for the population or depopulation is lower than the atomic impact one, the electron density of the plasma is considered as low to estimate the populationmore » and depopulation processes. Some remarkable characteristics of population and depopulation mechanisms are found for the low electron density atmospheric plasma, where thermal relaxation by atomic collisions becomes the predominant process within the group of close-energy states in the ionizing plasma of atmospheric pressure, and the excitation temperature is almost the same as the gas temperature. In addition to the collisional relaxation by argon atoms, electron impact excitation from the ground state is also an essential population mechanism. The ratios of population density of the levels pairs, between which exists a large energy gap, include information on the electron collisional kinetics. For high electron density, the effect of atomic collisional relaxation becomes weak. For this case, the excitation mechanism is explained as electron impact ladderlike excitation similar to low-pressure ionizing plasma, since the electron collision becomes the dominant process for the population and depopulation kinetics.« less

Wood-based panel plant locations and timber availability in selected U.S. states

Treesearch

T. McKeever; H. N. Spelter

1998-01-01

This report lists wood-based panel industry plant locations, production capacities, timber inventories, and wood costs for 24 U.S. states. Industry sectors covered include medium-density fiberboard, particleboard, softwood plywood, and oriented strandboard. Maps of major forest producing states show plant locations and the underlying density of timber stocking by...

Electronic structure of LiCoO2 thin films: A combined photoemission spectroscopy and density functional theory study

NASA Astrophysics Data System (ADS)

Ensling, David; Thissen, Andreas; Laubach, Stefan; Schmidt, Peter C.; Jaegermann, Wolfram

2010-11-01

The electronic properties of LiCoO2 have been studied by theoretical band-structure calculations (using density functional theory) and experimental methods (photoemission). Synchrotron-induced photoelectron spectroscopy, resonant photoemission spectroscopy (ResPES), and soft x-ray absorption (XAS) have been applied to investigate the electronic structure of both occupied and unoccupied states. High-quality PES spectra were obtained from stoichiometric and highly crystalline LiCoO2 thin films deposited “in situ” by rf magnetron sputtering. An experimental approach of separating oxygen- and cobalt-derived (final) states by ResPES in the valence-band region is presented. The procedure takes advantage of an antiresonant behavior of cobalt-derived states at the 3p-3d excitation threshold. Information about the unoccupied density of states has been obtained by OK XAS. The structure of the CoL absorption edge is compared to semiempirical charge-transfer multiplet calculations. The experimental results are furthermore compared with band-structure calculations considering three different exchange potentials [generalized gradient approximation (GGA), using a nonlocal Hubbard U (GGA+U) and using a hybrid functional (Becke, three-parameter, Lee-Yang-Parr [B3LYP])]. For these different approaches total density of states and partial valence-band density of states have been investigated. The best qualitative agreement with experimental results has been obtained by using a GGA+U functional with U=2.9eV .

One-dimensional continuum electronic structure with the density-matrix renormalization group and its implications for density-functional theory.

PubMed

Stoudenmire, E M; Wagner, Lucas O; White, Steven R; Burke, Kieron

2012-08-03

We extend the density matrix renormalization group to compute exact ground states of continuum many-electron systems in one dimension with long-range interactions. We find the exact ground state of a chain of 100 strongly correlated artificial hydrogen atoms. The method can be used to simulate 1D cold atom systems and to study density-functional theory in an exact setting. To illustrate, we find an interacting, extended system which is an insulator but whose Kohn-Sham system is metallic.

Electronic structure of silver doped As2S3

NASA Astrophysics Data System (ADS)

Kaur, Veerpal; Khatta, Swati; Tripathi, S. K.; Prakash, S.

2018-04-01

We have studied the band structure, density of states and partial density of states for pure arsenic trisulfide (As2S3) and silver (Ag) doped arsenic trisulfide (As2S3) using DFT based GGA approach. It is observed that with the introduction of silver in As2S3, some extra states are observed in the gap region hence modifying the semiconducting gap in As2S3. These extra states in the gap region are due to 4d-states of silver.

Measuring qutrit-qutrit entanglement of orbital angular momentum states of an atomic ensemble and a photon.

PubMed

Inoue, R; Yonehara, T; Miyamoto, Y; Koashi, M; Kozuma, M

2009-09-11

Three-dimensional entanglement of orbital angular momentum states of an atomic qutrit and a single photon qutrit has been observed. Their full state was reconstructed using quantum state tomography. The fidelity to the maximally entangled state of Schmidt rank 3 exceeds the threshold 2/3. This result confirms that the density matrix cannot be decomposed into an ensemble of pure states of Schmidt rank 1 or 2. That is, the Schmidt number of the density matrix must be equal to or greater than 3.

Density of the concentrates of peach and pome granate juices at elevated state parameters

NASA Astrophysics Data System (ADS)

Magerramov, M. A.

2006-07-01

Investigation of the density of pomegranate and peach juices in the temperature range from 278.15 to 403.15 K at pressures of 0.1 and 5 MPa is carried out. The dependence of the density of the juices on the content of dry substances in them has been studied. The equations of state are written down and the coefficients of thermal expansion are calculated.

Determination of the density of surface states at the semiconductor-insulator interface in a metal-insulator-semiconductor structure

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

Gulyamov, G., E-mail: Gulyamov1949@rambler.ru; Sharibaev, N. U.

2011-02-15

The temporal dependence of thermal generation of electrons from occupied surface states at the semiconductor-insulator interface in a metal-insulator-semiconductor structure is studied. It is established that, at low temperatures, the derivative of the probability of depopulation of occupied surface states with respect to energy is represented by the Dirac {delta} function. It is shown that the density of states of a finite number of discrete energy levels under high-temperature measurements manifests itself as a continuous spectrum, whereas this spectrum appears discrete at low temperatures. A method for processing the continuous spectrum of the density of surface states is suggested thatmore » method makes it possible to determine the discrete energy spectrum. The obtained results may be conducive to an increase in resolution of the method of non-stationary spectroscopy of surface states.« less

Hadronic density of states from string theory.

PubMed

Pando Zayas, Leopoldo A; Vaman, Diana

2003-09-12

We present an exact calculation of the finite temperature partition function for the hadronic states corresponding to a Penrose-Güven limit of the Maldacena-Nùñez embedding of the N=1 super Yang-Mills (SYM) into string theory. It is established that the theory exhibits a Hagedorn density of states. We propose a semiclassical string approximation to the finite temperature partition function for confining gauge theories admitting a supergravity dual, by performing an expansion around classical solutions characterized by temporal windings. This semiclassical approximation reveals a hadronic energy density of states of a Hagedorn type, with the coefficient determined by the gauge theory string tension as expected for confining theories. We argue that our proposal captures primarily information about states of pure N=1 SYM theory, given that this semiclassical approximation does not entail a projection onto states of large U(1) charge.

Solid-state modeling of the terahertz spectrum of the high explosive HMX.

PubMed

Allis, Damian G; Prokhorova, Darya A; Korter, Timothy M

2006-02-09

The experimental solid-state terahertz (THz) spectrum (3-120 cm(-1)) of the beta-crystal form of the high explosive octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) has been analyzed using solid-state density functional theory calculations. Various density functionals (both generalized gradient approximation and local density approximation) are compared in terms of their abilities to reproduce the experimentally observed solid-state structure and low-frequency vibrational motions. Good-to-excellent agreement between solid-state theory and experiment can be achieved in the THz region where isolated-molecule calculations fail to reproduce the observed spectral features, demonstrating a clear limitation of using isolated-molecule calculations for the assignment of THz frequency motions in molecular solids. The deficiency of isolated-molecule calculations is traced to modification of the molecular structure in the solid state through crystal packing effects and the formation of weak C-H...O hydrogen bonds.

v-representability and density functional theory. [for nonrelativistic electrons in nondegenerate ground state

NASA Technical Reports Server (NTRS)

Kohn, W.

1983-01-01

It is shown that if n(r) is the discrete density on a lattice (enclosed in a finite box) associated with a nondegenerate ground state in an external potential v(r) (i.e., is 'v-representable'), then the density n(r) + mu(r), with m(r) arbitrary (apart from trivial constraints) and mu small enough, is also associated with a nondegenerate ground state in an external potential v'(r) near v(r); i.e., n(r) + m(r) is also v-representable. Implications for the Hohenberg-Kohn variational principle and the Kohn-Sham equations are discussed.

Spatially resolved density and ionization measurements of shocked foams using x-ray fluorescence

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

MacDonald, M. J.; Keiter, P. A.; Montgomery, D. S.

2016-09-28

We present experiments at the Trident laser facility demonstrating the use of x-ray fluorescence (XRF) to simultaneously measure density, ionization state populations, and electron temperature in shocked foams. An imaging x-ray spectrometer obtained spatially resolved measurements of Ti K-α emission. Density profiles were measured from K-α intensity. Ti ionization state distributions and electron temperatures were inferred by fitting K-α spectra to spectra from CRETIN simulations. This work shows that XRF provides a powerful tool to complement other diagnostics to make equation of state measurements of shocked materials containing a suitable tracer element.

Effects of Road Density and Road-Salt Application Practices on Sodium and Chloride Loads to the Scituate Reservoir, Rhode Island

NASA Astrophysics Data System (ADS)

Waldron, M. C.; Nimiroski, M.

2001-05-01

The Scituate Reservoir drainage basin is the drinking-water source area for two thirds of the population of Rhode Island. The effects of road density and road-salt-application practices on sodium and chloride concentrations in streams in the drainage basin were examined using concentration data collected at intervals of one to six months from January 1982 through June 2000 at 32 stream sites distributed throughout the basin. Median concentrations of sodium and chloride for individual streams during the period of data collection were related to 1995 road densities (road miles per square mile of subbasin) for roads maintained by the Rhode Island Department of Transportation (State-maintained roads) and for roads maintained by the four municipalities in the drainage basin (locally maintained roads). Nearly 60 percent of the variation in median stream sodium and chloride concentrations was accounted for by the variation in density of State-maintained roads (R2= 0.595, p < 0.0001). In contrast, no correlations could be identified between median concentrations of sodium and chloride in streams and the densities of locally maintained roads in the subbasins (R2 = 0.001, p = 0.8771). Also, there was no difference in the relations between median stream sodium concentrations and subbasin road densities for data collected before and after a 1990 State-mandated reduction in the rate of application of sodium during winter deicing of State-maintained roads. Analysis of data on sources of sodium and chloride in the Scituate Reservoir drainage basin during water year 2000 (October 1999 through September 2000) indicates that, while the lengths and densities of locally maintained roads were greater than those of State-maintained roads in most subbasins, the total amount of sodium applied during water year 2000 was nearly three times greater for State-maintained roads than for locally maintained roads. This would be expected, given that State-maintained roads carry more traffic at higher speeds than do locally maintained roads. In addition, the State-maintained roads tend to have more efficient drainage systems that quickly transport runoff directly to the streams. The lack of effect of the reduced sodium application rate on the relation between median stream sodium concentration and density of State-maintained roads may be due to inaccurate monitoring of application rates or to mobilization of sodium previously applied and stored in drainage basin soils. Thus, the amounts of sodium and chloride transported by tributary streams to the Scituate Reservoir depend more on the type of roads and other conditions in the tributary subbasins than on the actual length or density of the roads.

Origins and early development of the concept that brown adipose tissue thermogenesis is linked to energy balance and obesity.

PubMed

Trayhurn, Paul

2017-03-01

Brown adipose tissue (BAT) was identified as a thermogenic organ in 1961, and in 1978 shown to be the major site of thermoregulatory non-shivering thermogenesis in rats acclimated to the cold. Investigations in the mid-late 1970s established the uncoupling of oxidative phosphorylation through a proton conductance pathway across the mitochondrial inner membrane as the mechanism for heat production in BAT, this being regulated by UCP1 which was first discovered as a 32,000 M r cold-inducible protein. These developments came when those concerned with nutritional energetics were proposing that thermogenesis is a significant factor in energy balance and the aetiology of obesity. A link with BAT was first demonstrated in obese ob/ob mice, which were shown to have decreased thermogenic activity in the tissue, and in rats exhibiting diet-induced thermogenesis (DIT) during overfeeding on a cafeteria diet where an activation of brown fat was evident. These pioneering observations led to extensive studies on BAT in different animal models of obesity, both genetic (particularly ob/ob and db/db mice, fa/fa rats) and experimentally-induced. In each case, indices of BAT activity and capacity (mitochondrial content, GDP binding, amount of UCP1) indicated that the tissue plays a role in DIT and that obesity is characterised by reduced thermogenesis. Links between BAT and whole-body energetics were also made in physiological situations such as lactation and fasting. Studies in the 1980s also provided clear evidence for the presence of BAT in adult humans, particularly through the detection of UCP1, and its activation in patients with phaeochromocytoma. Interest in BAT in energetics and obesity waned by the 1990s; the current major renewal of interest has undoubtedly been contingent on the pioneering developments that emerged some 40 years ago. Copyright © 2016 Elsevier B.V. and Société Française de Biochimie et Biologie Moléculaire (SFBBM). All rights reserved.

Use of ion-pairing reagent for improving iodine speciation analysis in seaweed by pressure-driven capillary electrophoresis and ultraviolet detection.

PubMed

Sun, Jiannan; Wang, Dan; Cheng, Heyong; Liu, Jinhua; Wang, Yuanchao; Xu, Zigang

2015-01-30

This study achieved resolution improvement for iodine speciation in the presence of an ion-pairing reagent by a pressure-driven capillary electrophoresis (CE) system. Addition of 0.01mM tetrabutyl ammonium hydroxide (TBAH) as the ion-pairing reagent into the electrophoretic buffer resulted in the complete separation of four iodine species (I(-), IO3(-), mono-iodothyrosine-MIT and di-iodothyrosine-DIT), because of the electrostatic interaction between TBAH and the negatively charged analytes. A +16kV separation voltage was applied along the separation capillary (50μm i.d., 80cm total and 60cm effective) with the inlet grounded. The detection wavelength was fixed at 210nm, and the pressure-driven flow rate was set at 0.12mLmin(-1) with an injected volume of 2μL. The optimal electrolyte consisted of 2mM borate, 2mM TBAH and 80% methanol with pH adjusted to 8.5. Baseline separation of iodine species was achieved within 7min. The detection limits for I(-), IO3(-), MIT and DIT were 0.052, 0.040, 0.032 and 0.025mgL(-1), respectively. The relative standard deviations of peak heights and areas were all below 3% for 5mgL(-1) and 5% for 1mgL(-1). Application of the proposed method was demonstrated by speciation analysis of iodine in two seaweed samples. The developed method offered satisfactory recoveries in the 91-99% range and good precisions (<5%). Good agreement between the determined values by the proposed CE method and the HPLC-ICP-MS method was also obtained. All results proved its great potential in routine analysis of iodine speciation in environmental, food and biological samples. Copyright © 2014 Elsevier B.V. All rights reserved.

Some Fundamental Issues in Ground-State Density Functional Theory: A Guide for the Perplexed.

PubMed

Perdew, John P; Ruzsinszky, Adrienn; Constantin, Lucian A; Sun, Jianwei; Csonka, Gábor I

2009-04-14

Some fundamental issues in ground-state density functional theory are discussed without equations: (1) The standard Hohenberg-Kohn and Kohn-Sham theorems were proven for a Hamiltonian that is not quite exact for real atoms, molecules, and solids. (2) The density functional for the exchange-correlation energy, which must be approximated, arises from the tendency of electrons to avoid one another as they move through the electron density. (3) In the absence of a magnetic field, either spin densities or total electron density can be used, although the former choice is better for approximations. (4) "Spin contamination" of the determinant of Kohn-Sham orbitals for an open-shell system is not wrong but right. (5) Only to the extent that symmetries of the interacting wave function are reflected in the spin densities should those symmetries be respected by the Kohn-Sham noninteracting or determinantal wave function. Functionals below the highest level of approximations should however sometimes break even those symmetries, for good physical reasons. (6) Simple and commonly used semilocal (lower-level) approximations for the exchange-correlation energy as a functional of the density can be accurate for closed systems near equilibrium and yet fail for open systems of fluctuating electron number. (7) The exact Kohn-Sham noninteracting state need not be a single determinant, but common approximations can fail when it is not. (8) Over an open system of fluctuating electron number, connected to another such system by stretched bonds, semilocal approximations make the exchange-correlation energy and hole-density sum rule too negative. (9) The gap in the exact Kohn-Sham band structure of a crystal underestimates the real fundamental gap but may approximate the first exciton energy in the large-gap limit. (10) Density functional theory is not really a mean-field theory, although it looks like one. The exact functional includes strong correlation, and semilocal approximations often overestimate the strength of static correlation through their semilocal exchange contributions. (11) Only under rare conditions can excited states arise directly from a ground-state theory.

On the v-representability of ensemble densities of electron systems

NASA Astrophysics Data System (ADS)

Gonis, A.; Däne, M.

2018-05-01

Analogously to the case at zero temperature, where the density of the ground state of an interacting many-particle system determines uniquely (within an arbitrary additive constant) the external potential acting on the system, the thermal average of the density over an ensemble defined by the Boltzmann distribution at the minimum of the thermodynamic potential, or the free energy, determines the external potential uniquely (and not just modulo a constant) acting on a system described by this thermodynamic potential or free energy. The paper describes a formal procedure that generates the domain of a constrained search over general ensembles (at zero or elevated temperatures) that lead to a given density, including as a special case a density thermally averaged at a given temperature, and in the case of a v-representable density determines the external potential leading to the ensemble density. As an immediate consequence of the general formalism, the concept of v-representability is extended beyond the hitherto discussed case of ground state densities to encompass excited states as well. Specific application to thermally averaged densities solves the v-representability problem in connection with the Mermin functional in a manner analogous to that in which this problem was recently settled with respect to the Hohenberg and Kohn functional. The main formalism is illustrated with numerical results for ensembles of one-dimensional, non-interacting systems of particles under a harmonic potential.

On the v-representability of ensemble densities of electron systems

DOE PAGES

Gonis, A.; Dane, M.

2017-12-30

Analogously to the case at zero temperature, where the density of the ground state of an interacting many-particle system determines uniquely (within an arbitrary additive constant) the external potential acting on the system, the thermal average of the density over an ensemble defined by the Boltzmann distribution at the minimum of the thermodynamic potential, or the free energy, determines the external potential uniquely (and not just modulo a constant) acting on a system described by this thermodynamic potential or free energy. The study describes a formal procedure that generates the domain of a constrained search over general ensembles (at zeromore » or elevated temperatures) that lead to a given density, including as a special case a density thermally averaged at a given temperature, and in the case of a v-representable density determines the external potential leading to the ensemble density. As an immediate consequence of the general formalism, the concept of v-representability is extended beyond the hitherto discussed case of ground state densities to encompass excited states as well. Specific application to thermally averaged densities solves the v-representability problem in connection with the Mermin functional in a manner analogous to that in which this problem was recently settled with respect to the Hohenberg and Kohn functional. Finally, the main formalism is illustrated with numerical results for ensembles of one-dimensional, non-interacting systems of particles under a harmonic potential.« less

Characterization of local thermodynamic equilibrium in a laser-induced aluminum alloy plasma.

PubMed

Zhang, Yong; Zhao, Zhenyang; Xu, Tao; Niu, GuangHui; Liu, Ying; Duan, Yixiang

2016-04-01

The electron temperature was evaluated using the line-to-continuum ratio method, and whether the plasma was close to the local thermodynamic equilibrium (LTE) state was investigated in detail. The results showed that approximately 5 μs after the plasma formed, the changes in the electron and excitation temperatures, which were determined using a Boltzmann plot, overlapped in the 15% error range, which indicated that the LTE state was reached. The recombination of electrons and ions and the free electron expansion process led to the deviation from the LTE state. The plasma's expansion rate slowed over time, and when the expansion time was close to the ionization equilibrium time, the LTE state was almost reached. The McWhirter criterion was adopted to calculate the threshold electron density for different species, and the results showed that experimental electron density was greater than the threshold electron density, which meant that the LTE state may have existed. However, for the nonmetal element N, the threshold electron density was greater than the value experimental value approximately 0.8 μs after the plasma formed, which meant that LTE state did not exist for N.

Tight-binding approximations to time-dependent density functional theory — A fast approach for the calculation of electronically excited states

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

Rüger, Robert, E-mail: rueger@scm.com; Department of Theoretical Chemistry, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam; Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Linnéstr. 2, 04103 Leipzig

2016-05-14

We propose a new method of calculating electronically excited states that combines a density functional theory based ground state calculation with a linear response treatment that employs approximations used in the time-dependent density functional based tight binding (TD-DFTB) approach. The new method termed time-dependent density functional theory TD-DFT+TB does not rely on the DFTB parametrization and is therefore applicable to systems involving all combinations of elements. We show that the new method yields UV/Vis absorption spectra that are in excellent agreement with computationally much more expensive TD-DFT calculations. Errors in vertical excitation energies are reduced by a factor of twomore » compared to TD-DFTB.« less

Hall effect within the colossal magnetoresistive semimetallic state of MoTe2

NASA Astrophysics Data System (ADS)

Zhou, Qiong; Rhodes, D.; Zhang, Q. R.; Tang, S.; Schönemann, R.; Balicas, L.

2016-09-01

Here, we report a systematic study on the Hall effect of the semimetallic state of bulk MoTe2, which was recently claimed to be a candidate for a novel type of Weyl semimetallic state. The temperature (T ) dependence of the carrier densities and of their mobilities, as estimated from a numerical analysis based on the isotropic two-carrier model, indicates that its exceedingly large and nonsaturating magnetoresistance may be attributed to a near perfect compensation between the densities of electrons and holes at low temperatures. A sudden increase in hole density, with a concomitant rapid increase in the electron mobility below T ˜40 K, leads to comparable densities of electrons and holes at low temperatures suggesting a possible electronic phase transition around this temperature.

Calculations with off-shell matrix elements, TMD parton densities and TMD parton showers

NASA Astrophysics Data System (ADS)

Bury, Marcin; van Hameren, Andreas; Jung, Hannes; Kutak, Krzysztof; Sapeta, Sebastian; Serino, Mirko

2018-02-01

A new calculation using off-shell matrix elements with TMD parton densities supplemented with a newly developed initial state TMD parton shower is described. The calculation is based on the KaTie package for an automated calculation of the partonic process in high-energy factorization, making use of TMD parton densities implemented in TMDlib. The partonic events are stored in an LHE file, similar to the conventional LHE files, but now containing the transverse momenta of the initial partons. The LHE files are read in by the Cascade package for the full TMD parton shower, final state shower and hadronization from Pythia where events in HEPMC format are produced. We have determined a full set of TMD parton densities and developed an initial state TMD parton shower, including all flavors following the TMD distribution. As an example of application we have calculated the azimuthal de-correlation of high p_t dijets as measured at the LHC and found very good agreement with the measurement when including initial state TMD parton showers together with conventional final state parton showers and hadronization.

Calculations with off-shell matrix elements, TMD parton densities and TMD parton showers.

PubMed

Bury, Marcin; van Hameren, Andreas; Jung, Hannes; Kutak, Krzysztof; Sapeta, Sebastian; Serino, Mirko

2018-01-01

A new calculation using off-shell matrix elements with TMD parton densities supplemented with a newly developed initial state TMD parton shower is described. The calculation is based on the KaTie package for an automated calculation of the partonic process in high-energy factorization, making use of TMD parton densities implemented in TMDlib. The partonic events are stored in an LHE file, similar to the conventional LHE files, but now containing the transverse momenta of the initial partons. The LHE files are read in by the Cascade package for the full TMD parton shower, final state shower and hadronization from Pythia where events in HEPMC format are produced. We have determined a full set of TMD parton densities and developed an initial state TMD parton shower, including all flavors following the TMD distribution. As an example of application we have calculated the azimuthal de-correlation of high [Formula: see text] dijets as measured at the LHC and found very good agreement with the measurement when including initial state TMD parton showers together with conventional final state parton showers and hadronization.

Evolution of metastable state molecules N2(A3 Σu+) in a nanosecond pulsed discharge: A particle-in-cell/Monte Carlo collisions simulation

NASA Astrophysics Data System (ADS)

Gao, Liang; Sun, Jizhong; Feng, Chunlei; Bai, Jing; Ding, Hongbin

2012-01-01

A particle-in-cell plus Monte Carlo collisions method has been employed to investigate the nitrogen discharge driven by a nanosecond pulse power source. To assess whether the production of the metastable state N2(A3 Σu+) can be efficiently enhanced in a nanosecond pulsed discharge, the evolutions of metastable state N2(A3 Σu+) density and electron energy distribution function have been examined in detail. The simulation results indicate that the ultra short pulse can modulate the electron energy effectively: during the early pulse-on time, high energy electrons give rise to quick electron avalanche and rapid growth of the metastable state N2(A3 Σu+) density. It is estimated that for a single pulse with amplitude of -9 kV and pulse width 30 ns, the metastable state N2(A3 Σu+) density can achieve a value in the order of 109 cm-3. The N2(A3 Σu+) density at such a value could be easily detected by laser-based experimental methods.

All-solid-state asymmetric supercapacitors based on Fe-doped mesoporous Co3O4 and three-dimensional reduced graphene oxide electrodes with high energy and power densities.

PubMed

Zhang, Cheng; Wei, Jun; Chen, Leiyi; Tang, Shaolong; Deng, Mingsen; Du, Youwei

2017-10-19

An asymmetric supercapacitor offers opportunities to effectively utilize the full potential of the different potential windows of the two electrodes for a higher operating voltage, resulting in an enhanced specific capacitance and significantly improved energy without sacrificing the power delivery and cycle life. To achieve high energy and power densities, we have synthesized an all-solid-state asymmetric supercapacitor with a wider voltage range using Fe-doped Co 3 O 4 and three-dimensional reduced graphene oxide (3DrGO) as the positive and negative electrodes, respectively. In contrast to undoped Co 3 O 4 , the increased density of states and modified charge spatial separation endow the Fe-doped Co 3 O 4 electrode with greatly improved electrochemical capacitive performance, including high specific capacitance (1997 F g -1 and 1757 F g -1 at current densities of 1 and 20 A g -1 , respectively), excellent rate capability, and superior cycling stability. Remarkably, the optimized all-solid-state asymmetric supercapacitor can be cycled reversibly in a wide range of 0-1.8 V, thus delivering a high energy density (270.3 W h kg -1 ), high power density (9.0 kW kg -1 at 224.2 W h kg -1 ), and excellent cycling stability (91.8% capacitance retention after 10 000 charge-discharge cycles at a constant current density of 10 A g -1 ). The superior capacitive performance suggests that such an all-solid-state asymmetric supercapacitor shows great potential for developing energy storage systems with high levels of energy and power delivery.

Density Functional Calculations for the Neutron Star Matter at Subnormal Density

NASA Astrophysics Data System (ADS)

Kashiwaba, Yu; Nakatsukasa, Takashi

The pasta phases of nuclear matter, whose existence is suggested at low density, may influence observable properties of neutron stars. In order to investigate properties of the neutron star matter, we calculate self-consistent solutions for the ground states of slab-like phase using the microscopic density functional theory with Bloch wave functions. The calculations are performed at each point of fixed average density and proton fraction (\\bar{ρ },Yp), varying the lattice constant of the unit cell. For small Yp values, the dripped neutrons emerge in the ground state, while the protons constitute the slab (crystallized) structure. The shell effect of protons affects the thickness of the slab nuclei.

OPTOELECTRONIC PROPERTIES AND THE GAP STATE DISTRIBUTION IN a-Si, Ge ALLOYS

NASA Astrophysics Data System (ADS)

Aljishi, S.; Smith, Z. E.; Wagner, S.

In this article we review optical and electronic transport data measured in amorphous silicon-germanium alloys with the goal of identifying the density of states as a function of alloy composition. The results show that while alloying a-Si:H with germanium has little effect on the valence band tail, the conduction band tail density of states is increased dramatically. Defect distributions both above and below midgap are detected and identified with the dangling bond D+/° and D°/- states. The density of deep defects below midgap increases exponentially with germanium content. Above midgap, a large concentration of defects lying between 0.3 and 0.5 eV below the conduction band edge has a strong effect on transient electron transport.

Generalized Reduction Formula for Discrete Wigner Functions of Multiqubit Systems

NASA Astrophysics Data System (ADS)

Srinivasan, K.; Raghavan, G.

2018-03-01

Density matrices and Discrete Wigner Functions are equally valid representations of multiqubit quantum states. For density matrices, the partial trace operation is used to obtain the quantum state of subsystems, but an analogous prescription is not available for discrete Wigner Functions. Further, the discrete Wigner function corresponding to a density matrix is not unique but depends on the choice of the quantum net used for its reconstruction. In the present work, we derive a reduction formula for discrete Wigner functions of a general multiqubit state which works for arbitrary quantum nets. These results would be useful for the analysis and classification of entangled states and the study of decoherence purely in a discrete phase space setting and also in applications to quantum computing.

Metabolic syndrome and mammographic density in Mexican women

PubMed Central

Rice, Megan; Biessy, Carine; Lajous, Martin; Bertrand, Kimberly A.; Tamimi, Rulla M.; Torres-Mejía, Gabriela; López-Ridaura, Ruy; Romieu, Isabelle

2014-01-01

Background Metabolic syndrome has been associated with an increased risk of breast cancer; however little is known about the association between metabolic syndrome and percent mammographic density, a strong predictor of breast cancer. Methods We analyzed cross-sectional data from 789 premenopausal and 322 postmenopausal women in the Mexican Teacher's Cohort (ESMaestras). Metabolic syndrome was defined according to the harmonized definition. We measured percent density on mammograms using a computer-assisted thresholding method. Multivariable linear regression was used to estimate the association between density and metabolic syndrome, as well as its components by state (Jalisco, Veracruz) and menopausal status (premenopausal, postmenopausal). Results Among premenopausal women in Jalisco, women with metabolic syndrome had higher percent density compared to those without after adjusting for potential confounders including BMI (difference = 4.76, 95%CI: 1.72, 7.81). Among the metabolic syndrome components, only low high-density lipoprotein levels (<50mg/dl) were associated with significantly higher percent density among premenopausal women in Jalisco (difference=4.62, 95%CI: 1.73, 7.52). Metabolic syndrome was not associated with percent density among premenopausal women in Veracruz (difference=-2.91, 95% CI: -7.19, 1.38), nor among postmenopausal women in either state. Conclusion Metabolic syndrome was associated with higher percent density among premenopausal women in Jalisco, Mexico, but was not associated with percent density among premenopausal women in Veracruz, Mexico or among postmenopausal women in either Jalisco or Veracruz. These findings provide some support for a possible role of metabolic syndrome in mammographic density among premenopausal women; however results were inconsistent across states and require further confirmation in larger studies. PMID:23682074

Weibull crack density coefficient for polydimensional stress states

NASA Technical Reports Server (NTRS)

Gross, Bernard; Gyekenyesi, John P.

1989-01-01

A structural ceramic analysis and reliability evaluation code has recently been developed encompassing volume and surface flaw induced fracture, modeled by the two-parameter Weibull probability density function. A segment of the software involves computing the Weibull polydimensional stress state crack density coefficient from uniaxial stress experimental fracture data. The relationship of the polydimensional stress coefficient to the uniaxial stress coefficient is derived for a shear-insensitive material with a random surface flaw population.

A Multireference Density Functional Approach to the Calculation of the Excited States of Uranium Ions

DTIC Science & Technology

2007-03-01

approach. xiv A MULTIREFERENCE DENSITY FUNCTIONAL APPROACH TO THE CALCULATION OF THE EXCITED STATES OF URANIUM IONS I. Introduction Actinide chemistry, in...oxidation state of the uranium atom. Uranium, like most early actinides , can possess a wide range of oxidation states, ranging from +3 to +6, due in part...in predicting the electronic spectra for heavy element compounds. The first difficulty is that relativistic effects for actinides are significant

Universality of quantum information in chaotic CFTs

NASA Astrophysics Data System (ADS)

Lashkari, Nima; Dymarsky, Anatoly; Liu, Hong

2018-03-01

We study the Eigenstate Thermalization Hypothesis (ETH) in chaotic conformal field theories (CFTs) of arbitrary dimensions. Assuming local ETH, we compute the reduced density matrix of a ball-shaped subsystem of finite size in the infinite volume limit when the full system is an energy eigenstate. This reduced density matrix is close in trace distance to a density matrix, to which we refer as the ETH density matrix, that is independent of all the details of an eigenstate except its energy and charges under global symmetries. In two dimensions, the ETH density matrix is universal for all theories with the same value of central charge. We argue that the ETH density matrix is close in trace distance to the reduced density matrix of the (micro)canonical ensemble. We support the argument in higher dimensions by comparing the Von Neumann entropy of the ETH density matrix with the entropy of a black hole in holographic systems in the low temperature limit. Finally, we generalize our analysis to the coherent states with energy density that varies slowly in space, and show that locally such states are well described by the ETH density matrix.

UV spectral shift of benzene in sub- and supercritical water

NASA Astrophysics Data System (ADS)

Kometani, Noritsugu; Takemiya, Koji; Yonezawa, Yoshiro; Amita, Fujitsugu; Kajimoto, Okitsugu

2004-08-01

UV absorption spectra of benzene have been measured over the wide range of temperature and pressure from the ambient state to the supercritical state ( T = 400 °C and P = 40 MPa). The analysis of the spectral shift of benzene in water relative to that in the gas indicates that at T = 380 and 390 °C the local solvent density around benzene is likely to be depressed below the bulk density for densities near the critical density. It is found that π-hydrogen bond between benzene and water becomes evident with lowering temperature below T = 340 °C.

Z-Scan Analysis: a New Method to Determine the Oxidative State of Low-Density Lipoprotein and Its Association with Multiple Cardiometabolic Biomarkers

NASA Astrophysics Data System (ADS)

de Freitas, Maria Camila Pruper; Figueiredo Neto, Antonio Martins; Giampaoli, Viviane; da Conceição Quintaneiro Aubin, Elisete; de Araújo Lima Barbosa, Milena Maria; Damasceno, Nágila Raquel Teixeira

2016-04-01

The great atherogenic potential of oxidized low-density lipoprotein has been widely described in the literature. The objective of this study was to investigate whether the state of oxidized low-density lipoprotein in human plasma measured by the Z-scan technique has an association with different cardiometabolic biomarkers. Total cholesterol, high-density lipoprotein cholesterol, triacylglycerols, apolipoprotein A-I and apolipoprotein B, paraoxonase-1, and glucose were analyzed using standard commercial kits, and low-density lipoprotein cholesterol was estimated using the Friedewald equation. A sandwich enzyme-linked immunosorbent assay was used to detect electronegative low-density lipoprotein. Low-density lipoprotein and high-density lipoprotein sizes were determined by Lipoprint® system. The Z-scan technique was used to measure the non-linear optical response of low-density lipoprotein solution. Principal component analysis and correlations were used respectively to resize the data from the sample and test association between the θ parameter, measured with the Z-scan technique, and the principal component. A total of 63 individuals, from both sexes, with mean age 52 years (±11), being overweight and having high levels of total cholesterol and low levels of high-density lipoprotein cholesterol, were enrolled in this study. A positive correlation between the θ parameter and more anti-atherogenic pattern for cardiometabolic biomarkers together with a negative correlation for an atherogenic pattern was found. Regarding the parameters related with an atherogenic low-density lipoprotein profile, the θ parameter was negatively correlated with a more atherogenic pattern. By using Z-scan measurements, we were able to find an association between oxidized low-density lipoprotein state and multiple cardiometabolic biomarkers in samples from individuals with different cardiovascular risk factors.

Nonharmonicity in vibrated granular solids

NASA Astrophysics Data System (ADS)

Schreck, Carl

2012-02-01

We have shown that granular packings composed of frictionless particles with repulsive contact interactions are strongly nonharmonic. When infinitesimally perturbed along linear response eigenmodes of the static packing, energy leaks from the original mode of vibration to a continuum of frequencies due solely to contact breaking even when the system is under significant compression. Further, vibrated packings possess well-defined equilibrium positions that are different than those of the unperturbed packing. The vibrational density of states obtained using the displacement matrix and velocity autocorrelation function methods exhibit an increase in the number of low-frequency modes over that obtained from linear response of the static packing. The form of the density of states in vibrated granular packings is reminiscent of the low-frequency behavior of the vibrational density of states in fluid systems. We also investigate the effects of inter-particle friction, dissipation, particle shape, and degree of positional order on the density of states and thermal transport properties in driven granular packings.

Direct measurement of density of states in pentacene thin film transistors

NASA Astrophysics Data System (ADS)

Yogev, S.; Halpern, E.; Matsubara, R.; Nakamura, M.; Rosenwaks, Y.

2011-10-01

We report on direct high lateral resolution measurements of density of states in pentacene thin film transistors using Kelvin probe force microscopy. The measurements were conducted on passivated (hexamethyldisilazane) and unpassivated field effect transistors with 10- and 30-nm-thick pentacene polycrystalline layers. The analysis takes into account both the band bending in the organic film and the trapped charge at the SiO2-pentacene interface. We found that the density of states for the highest occupied molecular orbital band of pentacene film on the treated substrate is Gaussian with a width (variance) of σ=0.07±0.01eV and an exponential tail. The concentration of the density of states in the gap for pentacene on bare SiO2 substrate was larger by one order of magnitude, had a different energy distribution, and induced Fermi level pinning. The results are discussed in view of their effect on pentacene thin film transistors’ performance.

A long-range-corrected density functional that performs well for both ground-state properties and time-dependent density functional theory excitation energies, including charge-transfer excited states.

PubMed

Rohrdanz, Mary A; Martins, Katie M; Herbert, John M

2009-02-07

We introduce a hybrid density functional that asymptotically incorporates full Hartree-Fock exchange, based on the long-range-corrected exchange-hole model of Henderson et al. [J. Chem. Phys. 128, 194105 (2008)]. The performance of this functional, for ground-state properties and for vertical excitation energies within time-dependent density functional theory, is systematically evaluated, and optimal values are determined for the range-separation parameter, omega, and for the fraction of short-range Hartree-Fock exchange. We denote the new functional as LRC-omegaPBEh, since it reduces to the standard PBEh hybrid functional (also known as PBE0 or PBE1PBE) for a certain choice of its two parameters. Upon optimization of these parameters against a set of ground- and excited-state benchmarks, the LRC-omegaPBEh functional fulfills three important requirements: (i) It outperforms the PBEh hybrid functional for ground-state atomization energies and reaction barrier heights; (ii) it yields statistical errors comparable to PBEh for valence excitation energies in both small and medium-sized molecules; and (iii) its performance for charge-transfer excitations is comparable to its performance for valence excitations. LRC-omegaPBEh, with the parameters determined herein, is the first density functional that satisfies all three criteria. Notably, short-range Hartree-Fock exchange appears to be necessary in order to obtain accurate ground-state properties and vertical excitation energies using the same value of omega.

Dependence of mobility on shallow localized gap states in single-crystal organic field-effect-transistors

NASA Astrophysics Data System (ADS)

Butko, V. Y.; So, W.; Lang, D. V.; Chi, X.; Lashley, J. C.; Ramirez, A. P.

2009-12-01

In order to optimize the performance of molecular organic electronic devices it is important to study the intermolecular density of states and charge transport mechanisms in the environment of crystalline organic material. Using this approach in Field Effect Transistors (FETs) we show that material purification improves carrier mobility and decreases density of the deep localized electronic state. We also report a general exponential energy dependence of the density of localized states in a vicinity of the mobility edge (Fermi energies up to ∼7 times higher than the thermal energy (kT)) in a variety of the extensively purified molecular organic crystal FETs. This observation and the low activation energy of the order of ∼kT suggest that molecular structural misplacements of the sizes that are comparable with thermal molecular modes rather than impurity deep traps play a role in formation of these shallow states. We find that the charge carrier mobility in the FET nanochannels, μeff, is parameterized by two factors, the free-carrier mobility, μ0, and the ratio of the free carrier density to the total carrier density induced by gate bias. Crystalline FETs fabricated from rubrene, pentacene, and tetracene have a high free-carrier mobility, μ0∼50 cm2/Vs, at 300 K with lower device μeff dominated by localized shallow gap states. This relationship suggests that further improvements in electronic performance could be possible with enhanced device quality.

Theoretical studies of electronically excited states

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

Besley, Nicholas A.

2014-10-06

Time-dependent density functional theory is the most widely used quantum chemical method for studying molecules in electronically excited states. However, excited states can also be computed within Kohn-Sham density functional theory by exploiting methods that converge the self-consistent field equations to give excited state solutions. The usefulness of single reference self-consistent field based approaches for studying excited states is demonstrated by considering the calculation of several types of spectroscopy including the infrared spectroscopy of molecules in an electronically excited state, the rovibrational spectrum of the NO-Ar complex, core electron binding energies and the emission spectroscopy of BODIPY in water.

Effect of impurity doping on tunneling conductance in AB-stacked bi-layer graphene: A tight-binding study

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

Rout, G. C., E-mail: siva1987@iopb.res.in, E-mail: skp@iopb.res.in, E-mail: gcr@iopb.res.in; Sahu, Sivabrata; Panda, S. K.

2016-04-13

We report here a microscopic tight-binding model calculation for AB-stacked bilayer graphene in presence of biasing potential between the two layers and the impurity effects to study the evolution of the total density of states with special emphasis on opening of band gap near Dirac point. We have calculated the electron Green’s functions for both the A and B sub-lattices by Zubarev technique. The imaginary part of the Green’s function gives the partial and total density of states of electrons. The density of states are computed numerically for 1000 × 1000 grid points of the electron momentum. The evolution ofmore » the opening of band gap near van-Hove singularities as well as near Dirac point is investigated by varying the different interlayer hoppings and the biasing potentials. The inter layer hopping splits the density of states at van-Hove singularities and produces a V-shaped gap near Dirac point. Further the biasing potential introduces a U shaped gap near Dirac point with a density minimum at the applied potential(i.e. at V/2).« less

Electronic structure of Ag7GeS5I superionic compound

NASA Astrophysics Data System (ADS)

Bletskan, Dmytro; Studenyak, Ihor; Bletskan, Mykhailo; Vakulchak, Vasyl

2018-05-01

This paper presents the originally results of ab initio calculations of electronic structure, total and partial densities of electronic states as well as electronic charge density distribution of Ag7GeS5I crystal performed within the density functional theory (DFT) in the local density approximation (LDA) for exchange-correlation potential. According to performed calculations, Ag7GeS5I is the direct-gap semiconductor with the valence band top and the conductivity band bottom in the Γ point of Brillouin zone. The band gap width calculated in the LDA-approximation is Egd = 0.73 eV. The analysis of total and partial densities of electronic states allow us to identify the atomic orbital contributions into the crystal orbitals as well as the formation data of chemical bond in the studied crystal. In the top part of Ag7GeS5I valence band it was revealed the considerable mixing (hybridization) of the occupied d-states of Ag noble metal and the delocalized p-states of sulfur and iodine, which is undoubtedly associated with the covalent character of chemical bond between S, I atoms and noble metal atom.

Charge density wave order in 1D mirror twin boundaries of single-layer MoSe 2

DOE PAGES

Barja, Sara; Wickenburg, Sebastian; Liu, Zhen-Fei; ...

2016-04-18

Here, We provide direct evidence for the existence of isolated, one-dimensional charge density waves at mirror twin boundaries (MTBs) of single-layer semiconducting MoSe 2. Such MTBs have been previously observed by transmission electron microscopy and have been predicted to be metallic in MoSe 2 and MoS 2. Our low-temperature scanning tunnelling microscopy/spectroscopy measurements revealed a substantial bandgap of 100 meV opening at the Fermi energy in the otherwise metallic one-dimensional structures. We found a periodic modulation in the density of states along the MTB, with a wavelength of approximately three lattice constants. In addition to mapping the energy-dependent densitymore » of states, we determined the atomic structure and bonding of the MTB through simultaneous high-resolution non-contact atomic force microscopy. Density functional theory calculations based on the observed structure reproduced both the gap opening and the spatially resolved density of states.« less

Neutron diffraction measurement of residual stresses, dislocation density and texture in Zr-bonded U-10Mo “mini” fuel foils and plates

DOE PAGES

Brown, Donald William; Okuniewski, Maria A.; Sisneros, Thomas A.; ...

2016-12-01

Here, Al clad U-10Mo fuel plates are being considered for conversion of several research reactors from high-enriched to low-enriched U fuel. Neutron diffraction measurements of the textures, residual phase stresses, and dislocation densities in the individual phases of the mini-foils throughout several processing steps and following hot-isostatic pressing to the Al cladding, have been completed. Recovery and recrystallization of the bare U-10Mo fuel foil, as indicated by the dislocation density and texture, are observed depending on the state of the material prior to annealing and the duration and temperature of the annealing process. In general, the cladding procedure significantly reducesmore » the dislocation density, but the final state of the clad plate, both texture and dislocation density, depends strongly on the final processing step of the fuel foil. In contrast, the residual stress state of the final plate is dominated by the thermal expansion mismatch of the constituent materials.« less

Neutron diffraction measurement of residual stresses, dislocation density and texture in Zr-bonded U-10Mo “mini” fuel foils and plates

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

Brown, Donald William; Okuniewski, Maria A.; Sisneros, Thomas A.

Here, Al clad U-10Mo fuel plates are being considered for conversion of several research reactors from high-enriched to low-enriched U fuel. Neutron diffraction measurements of the textures, residual phase stresses, and dislocation densities in the individual phases of the mini-foils throughout several processing steps and following hot-isostatic pressing to the Al cladding, have been completed. Recovery and recrystallization of the bare U-10Mo fuel foil, as indicated by the dislocation density and texture, are observed depending on the state of the material prior to annealing and the duration and temperature of the annealing process. In general, the cladding procedure significantly reducesmore » the dislocation density, but the final state of the clad plate, both texture and dislocation density, depends strongly on the final processing step of the fuel foil. In contrast, the residual stress state of the final plate is dominated by the thermal expansion mismatch of the constituent materials.« less

Nonuniversality of density and disorder in jammed sphere packings

NASA Astrophysics Data System (ADS)

Jiao, Yang; Stillinger, Frank H.; Torquato, Salvatore

2011-01-01

We show for the first time that collectively jammed disordered packings of three-dimensional monodisperse frictionless hard spheres can be produced and tuned using a novel numerical protocol with packing density ϕ as low as 0.6. This is well below the value of 0.64 associated with the maximally random jammed state and entirely unrelated to the ill-defined "random loose packing" state density. Specifically, collectively jammed packings are generated with a very narrow distribution centered at any density ϕ over a wide density range ϕ ɛ(0.6,0.740 48…) with variable disorder. Our results support the view that there is no universal jamming point that is distinguishable based on the packing density and frequency of occurrence. Our jammed packings are mapped onto a density-order-metric plane, which provides a broader characterization of packings than density alone. Other packing characteristics, such as the pair correlation function, average contact number, and fraction of rattlers are quantified and discussed.

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

Sahu, Sivabrata, E-mail: siva1987@iopb.res.in; Parashar, S. K. S., E-mail: sksparashar@yahoo.com; Rout, G. C., E-mail: gcr@iopb.res.in

We address here a tight-binding theoretical model calculation for AA-stacked bi-layer graphene taking into account of a biased potential between two layers to study the density of states and the band dispersion within the total Brillouin zone. We have calculated the electronic Green’s function for electron operator corresponding to A and B sub lattices by Zubarev’s Green’s function technique from which the electronic density of states and the electron band energy dispersion are calculated. The numerically computed density of states and band energy dispersions are investigated by tuning the biased potential to exhibit the band gap by varying the differentmore » physical parameters.« less

Open circuit voltage-decay behavior in amorphous p-i-n solar due to injection

NASA Astrophysics Data System (ADS)

Smrity, Manu; Dhariwal, S. R.

2018-05-01

The paper deals with the basic recombination processes at the dangling bond and the band tail states at various levels of injection, expressed in terms of short-circuit current density and their role in the behavior of amorphous solar cells. As the level of injection increases the fill factor decreases whereas the open circuit voltage increases very slowly, showing a saturation tendency. Calculations have been done for two values of tail state densities and shows that with an increase in tail state densities both, the fill factor and open circuit voltage decreases, results an overall degradation of the solar cell.

Spatially resolved density and ionization measurements of shocked foams using x-ray fluorescence

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

MacDonald, M. J.; Keiter, P. A.; Montgomery, D. S.

2016-09-22

We present experiments at the Trident laser facility demonstrating the use of x-ray fluorescence (XRF) to simultaneously measure density, ionization state populations, and electron temperature in shocked foams. An imaging x-ray spectrometer was used to obtain spatially-resolved measurements of Ti K-more » $$\\alpha$$ emission. Density profiles were measured from K-$$\\alpha$$ intensity. Ti ionization state distributions and electron temperatures were inferred by fitting K-$$\\alpha$$ spectra to spectra from CRETIN simulations. This study shows that XRF provides a powerful tool to complement other diagnostics to make equation of state measurements of shocked materials containing a suitable tracer element.« less

Vacancies in epitaxial graphene

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

Davydov, S. Yu., E-mail: Sergei-Davydov@mail.ru

The coherent-potential method is used to consider the problem of the influence of a finite concentration of randomly arranged vacancies on the density of states of epitaxial graphene. To describe the density of states of the substrate, simple models (the Anderson model, Haldane-Anderson model, and parabolic model) are used. The electronic spectrum of free single-sheet graphene is considered in the low-energy approximation. Charge transfer in the graphene-substrate system is discussed. It is shown that, in all cases, the density of states of epitaxial graphene decreases proportionally to the vacancy concentration. At the same time, the average charge transferred from graphenemore » to the substrate increases.« less

Fabrication of Solid-State Multilayer Glass Capacitors

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

Wilke, Rudeger H. T.; Brown-Shaklee, Harlan James; Casias, Adrian L.

Alkali-free glasses show immense promise for the development of high-energy density capacitors. The high breakdown strengths on single-layer sheets of glass suggest the potential for improved energy densities over existing state-of-the art polymer capacitors. In this paper, we demonstrate the ability to package thin glass to make solid-state capacitors. Individual layers are bonded using epoxy, leading to capacitors that exhibit stable operation over the temperature range -55 °C to +65 °C. Here, this fabrication approach is scalable and allows for proof testing individual layers prior to incorporation of the stack, providing a blueprint for the fabrication of high-energy density capacitors.

Fabrication of Solid-State Multilayer Glass Capacitors

DOE PAGES

Wilke, Rudeger H. T.; Brown-Shaklee, Harlan James; Casias, Adrian L.; ...

2017-07-31

Alkali-free glasses show immense promise for the development of high-energy density capacitors. The high breakdown strengths on single-layer sheets of glass suggest the potential for improved energy densities over existing state-of-the art polymer capacitors. In this paper, we demonstrate the ability to package thin glass to make solid-state capacitors. Individual layers are bonded using epoxy, leading to capacitors that exhibit stable operation over the temperature range -55 °C to +65 °C. Here, this fabrication approach is scalable and allows for proof testing individual layers prior to incorporation of the stack, providing a blueprint for the fabrication of high-energy density capacitors.

Electrostatic Discharge (ESD) Simulator Experiment (Testing of Some Switches/Relays for Application to an ESD Simulation Circuit)

DTIC Science & Technology

1983-10-01

will be: V(t) = 4,100 et/RC = 4,100 e 5/100 3,900 Volts Note that failure of a device during such test will classify the device as being Class 3 of DOD...Volts) 50 mV/small div., 50 nsec 0.1 mV/small div., 50 nsec (Inverted) NU-N E U Figure 12: (Charging Voltage: +1000 Volts) Figure 13: (Charging Voltage...Ij stchari I-,, i-1)401)0 1 It (uIrllis wi th vovy rt’~dIt- e l b (’i a, Ch .11it(! 11 1~ lit u t’ ~ 0 KV vult*.ge, I’Zinge anld at hw nFgrs 3~s. it

Enhancing multi-step quantum state tomography by PhaseLift

NASA Astrophysics Data System (ADS)

Lu, Yiping; Zhao, Qing

2017-09-01

Multi-photon system has been studied by many groups, however the biggest challenge faced is the number of copies of an unknown state are limited and far from detecting quantum entanglement. The difficulty to prepare copies of the state is even more serious for the quantum state tomography. One possible way to solve this problem is to use adaptive quantum state tomography, which means to get a preliminary density matrix in the first step and revise it in the second step. In order to improve the performance of adaptive quantum state tomography, we develop a new distribution scheme of samples and extend it to three steps, that is to correct it once again based on the density matrix obtained in the traditional adaptive quantum state tomography. Our numerical results show that the mean square error of the reconstructed density matrix by our new method is improved to the level from 10-4 to 10-9 for several tested states. In addition, PhaseLift is also applied to reduce the required storage space of measurement operator.

Using color as a proxy for symbiont density to assess health in the facultatively symbiotic northern coral, Astrangia poculata

NASA Astrophysics Data System (ADS)

Seballos, R.; Burmester, E. M.; Rotjan, R. D.

2016-02-01

Unlike most tropical corals, the northern star coral, Astrangia poculata, can survive and thrive with and without its photosynthetic endosymbionts, Symbiodinium psygmophilum. The degree of symbiosis is dependent on symbiont cell density, but the measurement of cell density is de facto destructive. We therefore explored the use of color (RGB) as a non-destructive proxy for symbiont state, building on the methods of Dimond and Carrington (2008). RGB color values, derived from a custom image analysis tool built in Matlab, were used to determine the inferred chlorophyll density of corals throughout an 8 week period. We found that non-destructive color analysis was a good metric to describe symbiotic state. To explore this method in an experimental context, we manipulated the impact of host condition (fed vs. starved) on the likelihood of wound healing in both symbiotic and aposymbiotic states. No difference was observed between either wounding or nutrition treatments, indicating that symbiotic state is likely controlled by other factors. In tropical corals, assessing the breakdown of symbiosis is an important predictor of holobiont stress, and colorimetric methods have been used to assess the extent of bleaching. Our method instead explores the spectral quality and extent of pigmentation to infer chlorophyll densities and symbiont cell densities, thereby extending the use of nondestructive methods to explore the strength of symbiosis.

Endothelial cell density after photorefractive keratectomy for moderate myopia using a 213 nm solid-state laser system.

PubMed

Tsiklis, Nikolaos S; Kymionis, George D; Pallikaris, Aristofanis I; Diakonis, Vasilios F; Ginis, Harilaos S; Kounis, George A; Panagopoulou, Sophia I; Pallikaris, Ioannis G

2007-11-01

To evaluate whether photorefractive keratectomy (PRK) for moderate myopia using a solid-state laser with a wavelength of 213 nm alters the corneal endothelial cell density. University refractive surgery center. The corneal endothelium was analyzed preoperatively and 1, 6, and 12 months postoperatively using corneal confocal microscopy (modified HRT II with a Rostock Cornea Module, Heidelberg Engineering) in 60 eyes (30 patients). Patients were randomized to have myopic PRK using a 213 nm wavelength solid-state laser (study group) or a conventional 193 nm wavelength excimer laser (control group). Three endothelial images were acquired in each of 30 preoperative normal eyes to evaluate the repeatability of endothelial cell density measurements. Repeated-measures analysis of variance was used to compare the variations in endothelial cell density between the 2 lasers and the changes in endothelial cell density over time. There were no statistically significant differences in sex, age, corneal pachymetry, attempted correction, preoperative endothelial cell density, or postoperative refractive outcomes (uncorrected visual acuity, best spectacle-corrected visual acuity, and spherical equivalent refraction) between the 2 groups (P>.05). The coefficient of repeatability of endothelial cell density was 131 cells/mm(2). The measured endothelial cell count per 1.0 mm(2) did not significantly change up to 1 year postoperatively in either group (both P>.05). No statistically significant difference was found between the 2 groups in any postoperative interval (P>.05). Photorefractive keratectomy for moderate myopia using a 213 nm wavelength solid-state laser or a conventional 193 nm wavelength excimer laser did not significantly affect corneal endothelial density during the 1-year postoperative period.

A density functional theory for colloids with two multiple bonding associating sites.

PubMed

Haghmoradi, Amin; Wang, Le; Chapman, Walter G

2016-06-22

Wertheim's multi-density formalism is extended for patchy colloidal fluids with two multiple bonding patches. The theory is developed as a density functional theory to predict the properties of an associating inhomogeneous fluid. The equation of state developed for this fluid depends on the size of the patch, and includes formation of cyclic, branched and linear clusters of associated species. The theory predicts the density profile and the fractions of colloids in different bonding states versus the distance from one wall as a function of bulk density and temperature. The predictions from our theory are compared with previous results for a confined fluid with four single bonding association sites. Also, comparison between the present theory and Monte Carlo simulation indicates a good agreement.

A state interaction spin-orbit coupling density matrix renormalization group method

NASA Astrophysics Data System (ADS)

Sayfutyarova, Elvira R.; Chan, Garnet Kin-Lic

2016-06-01

We describe a state interaction spin-orbit (SISO) coupling method using density matrix renormalization group (DMRG) wavefunctions and the spin-orbit mean-field (SOMF) operator. We implement our DMRG-SISO scheme using a spin-adapted algorithm that computes transition density matrices between arbitrary matrix product states. To demonstrate the potential of the DMRG-SISO scheme we present accurate benchmark calculations for the zero-field splitting of the copper and gold atoms, comparing to earlier complete active space self-consistent-field and second-order complete active space perturbation theory results in the same basis. We also compute the effects of spin-orbit coupling on the spin-ladder of the iron-sulfur dimer complex [Fe2S2(SCH3)4]3-, determining the splitting of the lowest quartet and sextet states. We find that the magnitude of the zero-field splitting for the higher quartet and sextet states approaches a significant fraction of the Heisenberg exchange parameter.

Thickness-dependent phase transition in graphite under high magnetic field

NASA Astrophysics Data System (ADS)

Taen, Toshihiro; Uchida, Kazuhito; Osada, Toshihito

2018-03-01

Various electronic phases emerge when applying high magnetic fields in graphite. However, the origin of a semimetal-insulator transition at B ≃30 T is still not clear, while an exotic density-wave state is theoretically proposed. In order to identify the electronic state of the insulator phase, we investigate the phase transition in thin-film graphite samples that were fabricated on silicon substrate by a mechanical exfoliation method. The critical magnetic fields of the semimetal-insulator transition in thin-film graphite shift to higher magnetic fields, accompanied by a reduction in temperature dependence. These results can be qualitatively reproduced by a density-wave model by introducing a quantum size effect. Our findings establish the electronic state of the insulator phase as a density-wave state standing along the out-of-plane direction, and help determine the electronic states in other high-magnetic-field phases.

Effects of geometrical frustration on ferromagnetism in the Hubbard model on the generalised Shastry-Sutherland lattice

NASA Astrophysics Data System (ADS)

Farkašovský, Pavol

2018-05-01

The small-cluster exact-diagonalization calculations and the projector quantum Monte Carlo method are used to examine the competing effects of geometrical frustration and interaction on ferromagnetism in the Hubbard model on the generalised Shastry-Sutherland lattice. It is shown that the geometrical frustration stabilizes the ferromagnetic state at high electron concentrations ( n ≳ 7/4), where strong correlations between ferromagnetism and the shape of the noninteracting density of states are observed. In particular, it is found that ferromagnetism is stabilized for these values of frustration parameters, which lead to the single-peaked noninterating density of states at the band edge. Once, two or more peaks appear in the noninteracting density of states at the band edge the ferromagnetic state is suppressed. This opens a new route towards the understanding of ferromagnetism in strongly correlated systems.

Equations of state and stability of MgSiO 3 perovskite and post-perovskite phases from quantum Monte Carlo simulations

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

Lin, Yangzheng; Cohen, Ronald E.; Stackhouse, Stephen

2014-11-10

In this study, we have performed quantum Monte Carlo (QMC) simulations and density functional theory calculations to study the equations of state of MgSiO 3 perovskite (Pv, bridgmanite) and post-perovskite (PPv) up to the pressure and temperature conditions of the base of Earth's lower mantle. The ground-state energies were derived using QMC simulations and the temperature-dependent Helmholtz free energies were calculated within the quasiharmonic approximation and density functional perturbation theory. The equations of state for both phases of MgSiO 3 agree well with experiments, and better than those from generalized gradient approximation calculations. The Pv-PPv phase boundary calculated from ourmore » QMC equations of state is also consistent with experiments, and better than previous local density approximation calculations. Lastly, we discuss the implications for double crossing of the Pv-PPv boundary in the Earth.« less

Accurate description of charge transport in organic field effect transistors using an experimentally extracted density of states

NASA Astrophysics Data System (ADS)

Roelofs, W. S. C.; Mathijssen, S. G. J.; Janssen, R. A. J.; de Leeuw, D. M.; Kemerink, M.

2012-02-01

The width and shape of the density of states (DOS) are key parameters to describe the charge transport of organic semiconductors. Here we extract the DOS using scanning Kelvin probe microscopy on a self-assembled monolayer field effect transistor (SAMFET). The semiconductor is only a single monolayer which has allowed extraction of the DOS over a wide energy range, pushing the methodology to its fundamental limit. The measured DOS consists of an exponential distribution of deep states with additional localized states on top. The charge transport has been calculated in a generic variable range-hopping model that allows any DOS as input. We show that with the experimentally extracted DOS an excellent agreement between measured and calculated transfer curves is obtained. This shows that detailed knowledge of the density of states is a prerequisite to consistently describe the transfer characteristics of organic field effect transistors.

Absolute Steady-State Thermal Conductivity Measurements by Use of a Transient Hot-Wire System.

PubMed

Roder, H M; Perkins, R A; Laesecke, A; Nieto de Castro, C A

2000-01-01

A transient hot-wire apparatus was used to measure the thermal conductivity of argon with both steady-state and transient methods. The effects of wire diameter, eccentricity of the wire in the cavity, axial conduction, and natural convection were accounted for in the analysis of the steady-state measurements. Based on measurements on argon, the relative uncertainty at the 95 % level of confidence of the new steady-state measurements is 2 % at low densities. Using the same hot wires, the relative uncertainty of the transient measurements is 1 % at the 95 % level of confidence. This is the first report of thermal conductivity measurements made by two different methods in the same apparatus. The steady-state method is shown to complement normal transient measurements at low densities, particularly for fluids where the thermophysical properties at low densities are not known with high accuracy.

Electronic Rearrangement in Molecular Plasmons: An Electron Density and Electrostatic Potential-Based Study.

PubMed

Paul, Mishu; Balanarayan, P

2018-06-05

Plasmonic modes in single-molecule systems have been previously identified by scaling two-electron interactions in calculating excitation energies. Analysis of transition dipole moments for states of polyacenes based on configuration interaction is another method for characterising molecular plasmons. The principal features in the electronic absorption spectra of polyacenes are a low-intensity, lower-in-energy peak and a high-intensity, higher-in-energy peak. From calculations using time-dependent density functional theory with the B3LYP/cc-pVTZ basis set, both these peaks are found to result from the same set of electronic transitions, that is, HOMO-n to LUMO and HOMO to LUMO+n, where n varies as the number of fused rings increases. In this work, the excited states of polyacenes, naphthalene through pentacene, are analysed using electron densities and molecular electrostatic potential (MESP) topography. Compared to other excited states the bright and dark plasmonic states involve the least electron rearrangement. Quantitatively, the MESP topography indicates that the variance in MESP values and the displacement in MESP minima positions, calculated with respect to the ground state, are lowest for plasmonic states. The excited-state electronic density profiles and electrostatic potential topographies suggest the least electron rearrangement for the plasmonic states. Conversely, high electron rearrangement characterises a single-particle excitation. The molecular plasmon can be called an excited state most similar to the ground state in terms of one-electron properties. This is found to be true for silver (Ag 6 ) and sodium (Na 8 ) linear chains as well. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Behavior of Excited Argon Atoms in Inductively Driven Plasmas

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

HEBNER,GREGORY A.; MILLER,PAUL A.

1999-12-07

Laser induced fluorescence has been used to measure the spatial distribution of the two lowest energy argon excited states, 1s{sub 5} and 1s{sub 4}, in inductively driven plasmas containing argon, chlorine and boron trichloride. The behavior of the two energy levels with plasma conditions was significantly different, probably because the 1s{sub 5} level is metastable and the 1s{sub 4} level is radiatively coupled to the ground state but is radiation trapped. The argon data is compared with a global model to identify the relative importance of processes such as electron collisional mixing and radiation trapping. The trends in the datamore » suggest that both processes play a major role in determining the excited state density. At lower rfpower and pressure, excited state spatial distributions in pure argon were peaked in the center of the discharge, with an approximately Gaussian profile. However, for the highest rfpowers and pressures investigated, the spatial distributions tended to flatten in the center of the discharge while the density at the edge of the discharge was unaffected. The spatially resolved excited state density measurements were combined with previous line integrated measurements in the same discharge geometry to derive spatially resolved, absolute densities of the 1s{sub 5} and 1s{sub 4} argon excited states and gas temperature spatial distributions. Fluorescence lifetime was a strong fi.mction of the rf power, pressure, argon fraction and spatial location. Increasing the power or pressure resulted in a factor of two decrease in the fluorescence lifetime while adding Cl{sub 2} or BCl{sub 3} increased the fluorescence lifetime. Excited state quenching rates are derived from the data. When Cl{sub 2} or BCl{sub 3} was added to the plasma, the maximum argon metastable density depended on the gas and ratio. When chlorine was added to the argon plasma, the spatial density profiles were independent of chlorine fraction. While it is energetically possible for argon excited states to dissociate some of the molecular species present in this discharge, it does not appear to be a significant source of dissociation. The major source of interaction between the argon and the molecular species BCl{sub 3} and Cl{sub 2} appears to be through modification of the electron density.« less

Precision Electron Density Measurements in the SSX MHD Wind Tunnel

NASA Astrophysics Data System (ADS)

Suen-Lewis, Emma M.; Barbano, Luke J.; Shrock, Jaron E.; Kaur, Manjit; Schaffner, David A.; Brown, Michael R.

2017-10-01

We characterize fluctuations of the line averaged electron density of Taylor states produced by the magnetized coaxial plasma gun of the SSX device using a 632.8 nm HeNe laser interferometer. The analysis method uses the electron density dependence of the refractive index of the plasma to determine the electron density of the Taylor states. Typical magnetic field and density values in the SSX device approach about B ≅ 0.3 T and n = 0 . 4 ×1016 cm-3 . Analysis is improved from previous density measurement methods by developing a post-processing method to remove relative phase error between interferometer outputs and to account for approximately linear phase drift due to low-frequency mechanical vibrations of the interferometer. Precision density measurements coupled with local measurements of the magnetic field will allow us to characterize the wave composition of SSX plasma via density vs. magnetic field correlation analysis, and compare the wave composition of SSX plasma with that of the solar wind. Preliminary results indicate that density and magnetic field appear negatively correlated. Work supported by DOE ARPA-E ALPHA program.

Density-functional theory for internal magnetic fields

NASA Astrophysics Data System (ADS)

Tellgren, Erik I.

2018-01-01

A density-functional theory is developed based on the Maxwell-Schrödinger equation with an internal magnetic field in addition to the external electromagnetic potentials. The basic variables of this theory are the electron density and the total magnetic field, which can equivalently be represented as a physical current density. Hence, the theory can be regarded as a physical current density-functional theory and an alternative to the paramagnetic current density-functional theory due to Vignale and Rasolt. The energy functional has strong enough convexity properties to allow a formulation that generalizes Lieb's convex analysis formulation of standard density-functional theory. Several variational principles as well as a Hohenberg-Kohn-like mapping between potentials and ground-state densities follow from the underlying convex structure. Moreover, the energy functional can be regarded as the result of a standard approximation technique (Moreau-Yosida regularization) applied to the conventional Schrödinger ground-state energy, which imposes limits on the maximum curvature of the energy (with respect to the magnetic field) and enables construction of a (Fréchet) differentiable universal density functional.

Husimi coordinates of multipartite separable states

NASA Astrophysics Data System (ADS)

Parfionov, Georges; Zapatrin, Romàn R.

2010-12-01

A parametrization of multipartite separable states in a finite-dimensional Hilbert space is suggested. It is proved to be a diffeomorphism between the set of zero-trace operators and the interior of the set of separable density operators. The result is applicable to any tensor product decomposition of the state space. An analytical criterion for separability of density operators is established in terms of the boundedness of a sequence of operators.

Nematic order-disorder state transition in a liquid crystal analogue formed by oriented and migrating amoeboid cells

NASA Astrophysics Data System (ADS)

Kemkemer, R.; Teichgräber, V.; Schrank-Kaufmann, S.; Kaufmann, D.; Gruler, H.

2000-10-01

In cell culture, liquid crystal analogues are formed by elongated, migrating, and interacting amoeboid cells. An apolar nematic liquid crystal analogue is formed by different cell types like human melanocytes (=pigment cells of the skin), human fibroblasts (=connective tissue cells), human osteoblasts (=bone cells), human adipocytes (=fat cells), etc. The nematic analogue is quite well described by i) a stochastic machine equation responsible for cell orientation and ii) a self-organized extracellular guiding signal, E_2, which is proportional to the orientational order parameter as well as to the cell density. The investigations were mainly made with melanocytes. The transition to an isotropic state analogue can be accomplished either by changing the strength of interaction (e.g. variation of the cell density) or by influencing the cellular machinery by an externally applied signal: i) An isotropic gaseous state analogue is observed at low cell density (ρ < 110melanocytes/mm^2) and a nematic liquid crystal state analogue at higher cell density. ii) The nematic state analogue disappears if the bipolar shaped melanocytes are forced to become a star-like shape (induced by colchicine or staurosporine). The analogy between nematic liquid crystal state analogue formed by elongated, migrating and interacting cells and the nematic liquid crystal phase formed by interacting elongated molecules is discussed.

Spectroscopic and time-dependent density functional theory investigation of the photophysical properties of zearalenone and its analogs

USDA-ARS?s Scientific Manuscript database

Structures of the mycotoxin zearalenone and its analogs were investigated using density functional theory methods to gain insight into the ground state and excited state properties related to detection. Zearalenone is an estrogenic mycotoxin that can occur in agricultural commodities, and ultraviole...

Increasing plant density in eastern United States broccoli production systems to maximize marketable head yields

USDA-ARS?s Scientific Manuscript database

Increased demand for fresh market broccoli (Brassica oleracea L. var. italica) has led to increased production along the eastern seaboard of the United States. Maximizing broccoli yields is a primary concern for quickly expanding eastern commercial markets. Thus, a plant density study was carried ...

Spin polarization of two-dimensional electron system in parabolic potential

NASA Astrophysics Data System (ADS)

Miyake, Takashi; Totsuji, Chieko; Nakanishi, Kenta; Tsuruta, Kenji; Totsuji, Hiroo

2008-09-01

We analyze the ground state of the two-dimensional quantum system of electrons confined in a parabolic potential with the system size around 100 at 0 K. We map the system onto a classical system on the basis of the classical-map hypernetted-chain (CHNC) method which has been proven to work in the integral-equation-based analyses of uniform systems and apply classical Monte Carlo and molecular dynamics simulations. We find that, when we decrease the strength of confinement keeping the number of confined electrons fixed, the energy of the spin-polarized state with somewhat lower average density becomes smaller than that of the spin-unpolarized state with somewhat higher average density. This system thus undergoes the transition from the spin-unpolarized state to the spin polarized state and the corresponding critical value of r estimated from the average density is as low as r∼0.4 which is much smaller than the r value for the Wigner lattice formation. When we compare the energies of spin-unpolarized and spin-polarized states for given average density, our data give the critical r value for the transition between unpolarized and polarized states around 10 which is close to but still smaller than the known possibility of polarization at r∼27. The advantage of our method is a direct applicability to geometrically complex systems which are difficult to analyze by integral equations and this is an example.

Ising antiferromagnet on a finite triangular lattice with free boundary conditions

NASA Astrophysics Data System (ADS)

Kim, Seung-Yeon

2015-11-01

The exact integer values for the density of states of the Ising model on an equilateral triangular lattice with free boundary conditions are evaluated up to L = 24 spins on a side for the first time by using the microcanonical transfer matrix. The total number of states is 2 N s = 2300 ≈ 2.037 × 1090 for L = 24, where N s = L( L+1)/2 is the number of spins. Classifying all 2300 spin states according to their energy values is an enormous work. From the density of states, the exact partition function zeros in the complex temperature plane of the triangular-lattice Ising model are evaluated. Using the density of states and the partition function zeros, we investigate the properties of the triangularlattice Ising antiferromagnet. The scaling behavior of the ground-state entropy and the form of the correlation length at T = 0 are studied for the triangular-lattice Ising antiferromagnet with free boundary conditions. Also, the scaling behavior of the Fisher edge singularity is investigated.

Normal and abnormal evolution of argon metastable density in high-density plasmas

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

Seo, B. H.; Kim, J. H., E-mail: jhkim86@kriss.re.kr; You, S. J., E-mail: sjyou@cnu.ac.kr

2015-05-15

A controversial problem on the evolution of Ar metastable density as a function of electron density (increasing trend versus decreasing trend) was resolved by discovering the anomalous evolution of the argon metastable density with increasing electron density (discharge power), including both trends of the metastable density [Daltrini et al., Appl. Phys. Lett. 92, 061504 (2008)]. Later, by virtue of an adequate physical explanation based on a simple global model, both evolutions of the metastable density were comprehensively understood as part of the abnormal evolution occurring at low- and high-density regimes, respectively, and thus the physics behind the metastable evolution hasmore » seemed to be clearly disclosed. In this study, however, a remarkable result for the metastable density behavior with increasing electron density was observed: even in the same electron density regime, there are both normal and abnormal evolutions of metastable-state density with electron density depending on the measurement position: The metastable density increases with increasing electron density at a position far from the inductively coupled plasma antenna but decreases at a position close to the antenna. The effect of electron temperature, which is spatially nonuniform in the plasma, on the electron population and depopulation processes of Argon metastable atoms with increasing electron density is a clue to understanding the results. The calculated results of the global model, including multistep ionization for the argon metastable state and measured electron temperature, are in a good agreement with the experimental results.« less

Thermal equation of state of hcp-iron: Constraint on the density deficit of Earth's solid inner core: THERMAL EQUATION OF STATE OF HCP-IRON

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

Fei, Yingwei; Murphy, Caitlin; Shibazaki, Yuki

We conducted high-pressure experiments on hexagonal close packed iron (hcp-Fe) in MgO, NaCl, and Ne pressure-transmitting media and found general agreement among the experimental data at 300 K that yield the best fitted values of the bulk modulus K 0 = 172.7(±1.4) GPa and its pressure derivative K 0'= 4.79(±0.05) for hcp-Fe, using the third-order Birch-Murnaghan equation of state. Using the derived thermal pressures for hcp-Fe up to 100 GPa and 1800 K and previous shockwave Hugoniot data, we developed a thermal equation of state of hcp-Fe. The thermal equation of state of hcp-Fe is further used to calculate themore » densities of iron along adiabatic geotherms to define the density deficit of the inner core, which serves as the basis for developing quantitative composition models of the Earth's inner core. We determine the density deficit at the inner core boundary to be 3.6%, assuming an inner core boundary temperature of 6000 K.« less

Solvation and Spectral Line Shifts of Chromium Atoms in Helium Droplets Based on a Density Functional Theory Approach

PubMed Central

2014-01-01

The interaction of an electronically excited, single chromium (Cr) atom with superfluid helium nanodroplets of various size (10 to 2000 helium (He) atoms) is studied with helium density functional theory. Solvation energies and pseudo-diatomic potential energy surfaces are determined for Cr in its ground state as well as in the y7P, a5S, and y5P excited states. The necessary Cr–He pair potentials are calculated by standard methods of molecular orbital-based electronic structure theory. In its electronic ground state the Cr atom is found to be fully submerged in the droplet. A solvation shell structure is derived from fluctuations in the radial helium density. Electronic excitations of an embedded Cr atom are simulated by confronting the relaxed helium density (ρHe), obtained for Cr in the ground state, with interaction pair potentials of excited states. The resulting energy shifts for the transitions z7P ← a7S, y7P ← a7S, z5P ← a5S, and y5P ← a5S are compared to recent fluorescence and photoionization experiments. PMID:24906160

Solvation and spectral line shifts of chromium atoms in helium droplets based on a density functional theory approach.

PubMed

Ratschek, Martin; Pototschnig, Johann V; Hauser, Andreas W; Ernst, Wolfgang E

2014-08-21

The interaction of an electronically excited, single chromium (Cr) atom with superfluid helium nanodroplets of various size (10 to 2000 helium (He) atoms) is studied with helium density functional theory. Solvation energies and pseudo-diatomic potential energy surfaces are determined for Cr in its ground state as well as in the y(7)P, a(5)S, and y(5)P excited states. The necessary Cr-He pair potentials are calculated by standard methods of molecular orbital-based electronic structure theory. In its electronic ground state the Cr atom is found to be fully submerged in the droplet. A solvation shell structure is derived from fluctuations in the radial helium density. Electronic excitations of an embedded Cr atom are simulated by confronting the relaxed helium density (ρHe), obtained for Cr in the ground state, with interaction pair potentials of excited states. The resulting energy shifts for the transitions z(7)P ← a(7)S, y(7)P ← a(7)S, z(5)P ← a(5)S, and y(5)P ← a(5)S are compared to recent fluorescence and photoionization experiments.

Quantum mechanical/molecular mechanical/continuum style solvation model: time-dependent density functional theory.

PubMed

Thellamurege, Nandun M; Cui, Fengchao; Li, Hui

2013-08-28

A combined quantum mechanical/molecular mechanical/continuum (QM/MMpol/C) style method is developed for time-dependent density functional theory (TDDFT, including long-range corrected TDDFT) method, induced dipole polarizable force field, and induced surface charge continuum model. Induced dipoles and induced charges are included in the TDDFT equations to solve for the transition energies, relaxed density, and transition density. Analytic gradient is derived and implemented for geometry optimization and molecular dynamics simulation. QM/MMpol/C style DFT and TDDFT methods are used to study the hydrogen bonding of the photoactive yellow protein chromopore in ground state and excited state.

Spatio-Temporal Patterns in Colonies of Rod-Shaped Bacteria

NASA Astrophysics Data System (ADS)

Kitsunezaki, S.

In incubation experiments of bacterial colonies of Proteus Mirabilis, macroscopic spatio-temporal patterns, such as turbulent and unidirectional spiral patterns, appear in colonies. Considering only kinetic propeties of rod-shaped bacteria, we propose a phenomenological model for the directional and positional distributions. As the average density increases, homogeneous states bifurcate sub-critically into nonuniform states exhibiting localized collective motion, and spiral patterns appear for sufficiently large density. These patterns result from interactions between the local bacteria densities and the order parameter representing collective motion. Our model can be described by reduced equations using a perturbative method for large density. The unidirectionality of sprial rotation is also discussed.

Ground state of a confined Yukawa plasma including correlation effects

NASA Astrophysics Data System (ADS)

Henning, C.; Ludwig, P.; Filinov, A.; Piel, A.; Bonitz, M.

2007-09-01

The ground state of an externally confined one-component Yukawa plasma is derived analytically using the local density approximation (LDA). In particular, the radial density profile is computed. The results are compared with the recently obtained mean-field (MF) density profile [Henning , Phys. Rev. E 74, 056403 (2006)]. While the MF results are more accurate for weak screening, the LDA with correlations included yields the proper description for large screening. By comparison with first-principles simulations for three-dimensional spherical Yukawa crystals, we demonstrate that the two approximations complement each other. Together they accurately describe the density profile in the full range of screening parameters.

Hybrid reconstruction of quantum density matrix: when low-rank meets sparsity

NASA Astrophysics Data System (ADS)

Li, Kezhi; Zheng, Kai; Yang, Jingbei; Cong, Shuang; Liu, Xiaomei; Li, Zhaokai

2017-12-01

Both the mathematical theory and experiments have verified that the quantum state tomography based on compressive sensing is an efficient framework for the reconstruction of quantum density states. In recent physical experiments, we found that many unknown density matrices in which people are interested in are low-rank as well as sparse. Bearing this information in mind, in this paper we propose a reconstruction algorithm that combines the low-rank and the sparsity property of density matrices and further theoretically prove that the solution of the optimization function can be, and only be, the true density matrix satisfying the model with overwhelming probability, as long as a necessary number of measurements are allowed. The solver leverages the fixed-point equation technique in which a step-by-step strategy is developed by utilizing an extended soft threshold operator that copes with complex values. Numerical experiments of the density matrix estimation for real nuclear magnetic resonance devices reveal that the proposed method achieves a better accuracy compared to some existing methods. We believe that the proposed method could be leveraged as a generalized approach and widely implemented in the quantum state estimation.

Controlled functionalization of carbonaceous fibers for asymmetric solid-state micro-supercapacitors with high volumetric energy density.

PubMed

Yu, Dingshan; Goh, Kunli; Zhang, Qiang; Wei, Li; Wang, Hong; Jiang, Wenchao; Chen, Yuan

2014-10-22

A 1.8 V asymmetric solid-state flexible micro-supercapacitor is designed with one MnO2 -coated reduced graphene oxide/single-walled carbon nanotube (rGO/SWCNT) composite fiber as positive electrode and one nitrogen-doped rGO/SWCNT fiber as negative electrode, which demonstrates ultrahigh volumetric energy density, comparable to some thin-film lithium batteries, along with high power density, long cycle life, and good flexibility. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Semiclassical neutral atom as a reference system in density functional theory.

PubMed

Constantin, Lucian A; Fabiano, E; Laricchia, S; Della Sala, F

2011-05-06

We use the asymptotic expansions of the semiclassical neutral atom as a reference system in density functional theory to construct accurate generalized gradient approximations (GGAs) for the exchange-correlation and kinetic energies without any empiricism. These asymptotic functionals are among the most accurate GGAs for molecular systems, perform well for solid state, and overcome current GGA state of the art in frozen density embedding calculations. Our results also provide evidence for the conjointness conjecture between exchange and kinetic energies of atomic systems.

Derivation of the density functional theory from the cluster expansion.

PubMed

Hsu, J Y

2003-09-26

The density functional theory is derived from a cluster expansion by truncating the higher-order correlations in one and only one term in the kinetic energy. The formulation allows self-consistent calculation of the exchange correlation effect without imposing additional assumptions to generalize the local density approximation. The pair correlation is described as a two-body collision of bound-state electrons, and modifies the electron- electron interaction energy as well as the kinetic energy. The theory admits excited states, and has no self-interaction energy.

The Hpp Rule with Memory and the Density Classification Task

NASA Astrophysics Data System (ADS)

Alonso-Sanz, Ramón

This article considers an extension to the standard framework of cellular automata by implementing memory capability in cells. It is shown that the important block HPP rule behaves as an excellent classifier of the density in the initial configuration when applied to cells endowed with pondered memory of their previous states. If the weighing is made so that the most recent state values are assigning the highest weights, the HPP rule surpasses the performance of the best two-dimensional density classifiers reported in the literature.

Estimating canopy bulk density and canopy base height for conifer stands in the interior Western United States using the Forest Vegetation Simulator Fire and Fuels Extension.

Treesearch

Seth Ex; Frederick Smith; Tara Keyser; Stephanie Rebain

2017-01-01

The Forest Vegetation Simulator Fire and Fuels Extension (FFE-FVS) is often used to estimate canopy bulk density (CBD) and canopy base height (CBH), which are key indicators of crown fire hazard for conifer stands in the Western United States. Estimated CBD from FFE-FVS is calculated as the maximum 4 m running mean bulk density of predefined 0.3 m thick canopy layers (...

Chemical bonding analysis on amphoteric hydrogen - alkaline earth ammine borohydrides

NASA Astrophysics Data System (ADS)

Kiruthika, S.; Ravindran, P.

2018-04-01

Usually the ions in solid are in the positive oxidation states or in the negative oxidation state depending upon the chemical environment. It is highly unusual for an ion having both positive as well as negative oxidation state in a particular compound. Structural analysis suggest that the alkaline earth ammine borohydrides (AABH) with the chemical formula M (BH4)2(NH3)2 (M = Mg, Ca, or Sr) where hydrogen is present in +1 and -1 oxidation states. In order to understand the oxidation states of hydrogen and also the character of chemical bond present in AABH we have made charge density, electron localization function, Born effective charge, Bader effective charge, and density of states analyses using result from the density functional calculations. Our detailed analyses show that hydrogen is in amphoteric behavior with hydrogen closer to boron is in negative oxidation state and that closer to nitrogen is in the positive oxidation state. Due to the presence of finite covalent bonding between the consitutents in AABH the oxidation state of hydrogen is non-interger value. The confirmation of the presence of amphtoric behavior of hydrogen in AABH has implication in hydrogen storage applications.

Support for the existence of invertible maps between electronic densities and non-analytic 1-body external potentials in non-relativistic time-dependent quantum mechanics

NASA Astrophysics Data System (ADS)

Mosquera, Martín A.

2017-10-01

Provided the initial state, the Runge-Gross theorem establishes that the time-dependent (TD) external potential of a system of non-relativistic electrons determines uniquely their TD electronic density, and vice versa (up to a constant in the potential). This theorem requires the TD external potential and density to be Taylor-expandable around the initial time of the propagation. This paper presents an extension without this restriction. Given the initial state of the system and evolution of the density due to some TD scalar potential, we show that a perturbative (not necessarily weak) TD potential that induces a non-zero divergence of the external force-density, inside a small spatial subset and immediately after the initial propagation time, will cause a change in the density within that subset, implying that the TD potential uniquely determines the TD density. In this proof, we assume unitary evolution of wavefunctions and first-order differentiability (which does not imply analyticity) in time of the internal and external force-densities, electronic density, current density, and their spatial derivatives over the small spatial subset and short time interval.

CUGatesDensity—Quantum circuit analyser extended to density matrices

NASA Astrophysics Data System (ADS)

Loke, T.; Wang, J. B.

2013-12-01

CUGatesDensity is an extension of the original quantum circuit analyser CUGates (Loke and Wang, 2011) [7] to provide explicit support for the use of density matrices. The new package enables simulation of quantum circuits involving statistical ensemble of mixed quantum states. Such analysis is of vital importance in dealing with quantum decoherence, measurements, noise and error correction, and fault tolerant computation. Several examples involving mixed state quantum computation are presented to illustrate the use of this package. Catalogue identifier: AEPY_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEPY_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 5368 No. of bytes in distributed program, including test data, etc.: 143994 Distribution format: tar.gz Programming language: Mathematica. Computer: Any computer installed with a copy of Mathematica 6.0 or higher. Operating system: Any system with a copy of Mathematica 6.0 or higher installed. Classification: 4.15. Nature of problem: To simulate arbitrarily complex quantum circuits comprised of single/multiple qubit and qudit quantum gates with mixed state registers. Solution method: A density matrix representation for mixed states and a state vector representation for pure states are used. The construct is based on an irreducible form of matrix decomposition, which allows a highly efficient implementation of general controlled gates with multiple conditionals. Running time: The examples provided in the notebook CUGatesDensity.nb take approximately 30 s to run on a laptop PC.

Effect of argon implantation on solid-state dewetting: control of size and surface density of silicon nanocrystals.

PubMed

Almadori, Y; Borowik, Ł; Chevalier, N; Barbé, J-C

2017-01-27

Thermally induced solid-state dewetting of ultra-thin films on insulators is a process of prime interest, since it is capable of easily forming nanocrystals. If no particular treatment is performed to the film prior to the solid-state dewetting, it is already known that the size, the shape and the density of nanocrystals is governed by the initial film thickness. In this paper, we report a novel approach to control the size and the surface density of silicon nanocrystals based on an argon-implantation preliminary surface treatment. Using 7.5 nm thin layers of silicon, we show that increasing the implantation dose tends to form smaller silicon nanocrystals with diameter and height lower than 50 nm and 30 nm, respectively. Concomitantly, the surface density is increased by a factor greater than 20, going from 5 μm -2 to values over 100 μm -2 .

The difference between two random mixed quantum states: exact and asymptotic spectral analysis

NASA Astrophysics Data System (ADS)

Mejía, José; Zapata, Camilo; Botero, Alonso

2017-01-01

We investigate the spectral statistics of the difference of two density matrices, each of which is independently obtained by partially tracing a random bipartite pure quantum state. We first show how a closed-form expression for the exact joint eigenvalue probability density function for arbitrary dimensions can be obtained from the joint probability density function of the diagonal elements of the difference matrix, which is straightforward to compute. Subsequently, we use standard results from free probability theory to derive a relatively simple analytic expression for the asymptotic eigenvalue density (AED) of the difference matrix ensemble, and using Carlson’s theorem, we obtain an expression for its absolute moments. These results allow us to quantify the typical asymptotic distance between the two random mixed states using various distance measures; in particular, we obtain the almost sure asymptotic behavior of the operator norm distance and the trace distance.

Exotic topological density waves in cold atomic Rydberg-dressed fermions

PubMed Central

Li, Xiaopeng; Sarma, S Das

2015-01-01

Versatile controllability of interactions in ultracold atomic and molecular gases has now reached an era where quantum correlations and unconventional many-body phases can be studied with no corresponding analogues in solid-state systems. Recent experiments in Rydberg atomic gases have achieved exquisite control over non-local interactions, allowing novel quantum phases unreachable with the usual local interactions in atomic systems. Here we study Rydberg-dressed atomic fermions in a three-dimensional optical lattice predicting the existence of hitherto unheard-of exotic mixed topological density wave phases. By varying the spatial range of the non-local interaction, we find various chiral density waves with spontaneous time-reversal symmetry breaking, whose quasiparticles form three-dimensional quantum Hall and Weyl semimetal states. Remarkably, certain density waves even exhibit mixed topologies beyond the existing topological classification. Our results suggest gapless fermionic states could exhibit far richer topology than previously expected. PMID:25972134

An Updated Nuclear Equation of State for Neutron Stars and Supernova Simulations

NASA Astrophysics Data System (ADS)

Meixner, M. A.; Mathews, G. J.; Dalhed, H. E.; Lan, N. Q.

2011-10-01

We present an updated and improved Equation of State based upon the framework originally developed by Bowers & Wilson. The details of the EoS and improvements are described along with a description of how to access this EOS for numerical simulations. Among the improvements are an updated compressibility based upon recent measurements, the possibility of the formation of proton excess (Ye> 0.5) material and an improved treatment of the nuclear statistical equilibrium and the transition to pasta nuclei as the density approaches nuclear matter density. The possibility of a QCD chiral phase transition is also included at densities above nuclear matter density. We show comparisons of this EOS with the other two publicly available equations of state used in supernova collapse simulations. The advantages of the present EoS is that it is easily amenable to phenomenological parameterization to fit observed explosion properties and to accommodate new physical parameters.

Use of uninformative priors to initialize state estimation for dynamical systems

NASA Astrophysics Data System (ADS)

Worthy, Johnny L.; Holzinger, Marcus J.

2017-10-01

The admissible region must be expressed probabilistically in order to be used in Bayesian estimation schemes. When treated as a probability density function (PDF), a uniform admissible region can be shown to have non-uniform probability density after a transformation. An alternative approach can be used to express the admissible region probabilistically according to the Principle of Transformation Groups. This paper uses a fundamental multivariate probability transformation theorem to show that regardless of which state space an admissible region is expressed in, the probability density must remain the same under the Principle of Transformation Groups. The admissible region can be shown to be analogous to an uninformative prior with a probability density that remains constant under reparameterization. This paper introduces requirements on how these uninformative priors may be transformed and used for state estimation and the difference in results when initializing an estimation scheme via a traditional transformation versus the alternative approach.

Inelastic neutron scattering study of phonon density of states in nanostructured Si1 xGex thermoelectrics

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

Dhital, Chetan; Abernathy, Douglas L; Zhu, Gaohua

2012-01-01

Inelastic neutron scattering measurements are utilized to explore relative changes in the generalized phonon density of states of nanocrystalline Si1 xGex thermoelectric materials prepared via ball-milling and hot-pressing techniques. Dynamic signatures of Ge clustering can be inferred from the data by referencing the resulting spectra to a density functional theoretical model assuming homogeneous alloying via the virtual-crystal approximation. Comparisons are also presented between as-milled Si nanopowder and bulk, polycrystalline Si where a preferential low-energy enhancement and lifetime broadening of the phonon density of states appear in the nanopowder. Negligible differences are however observed between the phonon spectra of bulk Simore » andhot-pressed, nanostructured Si samples suggesting that changes to the single-phonon dynamics above 4 meV play only a secondary role in the modified heat conduction of this compound.« less

A Semi-Analytical Extraction Method for Interface and Bulk Density of States in Metal Oxide Thin-Film Transistors

PubMed Central

Chen, Weifeng; Wu, Weijing; Zhou, Lei; Xu, Miao; Wang, Lei; Peng, Junbiao

2018-01-01

A semi-analytical extraction method of interface and bulk density of states (DOS) is proposed by using the low-frequency capacitance–voltage characteristics and current–voltage characteristics of indium zinc oxide thin-film transistors (IZO TFTs). In this work, an exponential potential distribution along the depth direction of the active layer is assumed and confirmed by numerical solution of Poisson’s equation followed by device simulation. The interface DOS is obtained as a superposition of constant deep states and exponential tail states. Moreover, it is shown that the bulk DOS may be represented by the superposition of exponential deep states and exponential tail states. The extracted values of bulk DOS and interface DOS are further verified by comparing the measured transfer and output characteristics of IZO TFTs with the simulation results by a 2D device simulator ATLAS (Silvaco). As a result, the proposed extraction method may be useful for diagnosing and characterising metal oxide TFTs since it is fast to extract interface and bulk density of states (DOS) simultaneously. PMID:29534492

Multiphase aluminum equations of state via density functional theory

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

Sjostrom, Travis; Crockett, Scott; Rudin, Sven

2016-10-03

We have performed density functional theory (DFT) based calculations for aluminum in extreme conditions of both pressure and temperature, up to five times compressed ambient density, and over 1 000 000 K in temperature. In order to cover such a domain, DFT methods including phonon calculations, quantum molecular dynamics, and orbital-free DFT are employed. Our results are then used to construct a SESAME equation of state for the aluminum 1100 alloy, encompassing the fcc, hcp, and bcc solid phases as well as the liquid regime. We also provide extensive comparison with experiment, and based on this we also provide amore » slightly modified equation of state for the aluminum 6061 alloy.« less

Spin-density wave state in simple hexagonal graphite

NASA Astrophysics Data System (ADS)

Mosoyan, K. S.; Rozhkov, A. V.; Sboychakov, A. O.; Rakhmanov, A. L.

2018-02-01

Simple hexagonal graphite, also known as AA graphite, is a metastable configuration of graphite. Using tight-binding approximation, it is easy to show that AA graphite is a metal with well-defined Fermi surface. The Fermi surface consists of two sheets, each shaped like a rugby ball. One sheet corresponds to electron states, another corresponds to hole states. The Fermi surface demonstrates good nesting: a suitable translation in the reciprocal space superposes one sheet onto another. In the presence of the electron-electron repulsion, a nested Fermi surface is unstable with respect to spin-density-wave ordering. This instability is studied using the mean-field theory at zero temperature, and the spin-density-wave order parameter is evaluated.

Monte Carlo simulation of hard spheres near random closest packing using spherical boundary conditions

NASA Astrophysics Data System (ADS)

Tobochnik, Jan; Chapin, Phillip M.

1988-05-01

Monte Carlo simulations were performed for hard disks on the surface of an ordinary sphere and hard spheres on the surface of a four-dimensional hypersphere. Starting from the low density fluid the density was increased to obtain metastable amorphous states at densities higher than previously achieved. Above the freezing density the inverse pressure decreases linearly with density, reaching zero at packing fractions equal to 68% for hard spheres and 84% for hard disks. Using these new estimates for random closest packing and coefficients from the virial series we obtain an equation of state which fits all the data up to random closest packing. Usually, the radial distribution function showed the typical split second peak characteristic of amorphous solids and glasses. High density systems which lacked this split second peak and showed other sharp peaks were interpreted as signaling the onset of crystal nucleation.

Taylor's law and body size in exploited marine ecosystems.

PubMed

Cohen, Joel E; Plank, Michael J; Law, Richard

2012-12-01

Taylor's law (TL), which states that variance in population density is related to mean density via a power law, and density-mass allometry, which states that mean density is related to body mass via a power law, are two of the most widely observed patterns in ecology. Combining these two laws predicts that the variance in density is related to body mass via a power law (variance-mass allometry). Marine size spectra are known to exhibit density-mass allometry, but variance-mass allometry has not been investigated. We show that variance and body mass in unexploited size spectrum models are related by a power law, and that this leads to TL with an exponent slightly <2. These simulated relationships are disrupted less by balanced harvesting, in which fishing effort is spread across a wide range of body sizes, than by size-at-entry fishing, in which only fish above a certain size may legally be caught.

Taylor's law and body size in exploited marine ecosystems

PubMed Central

Cohen, Joel E; Plank, Michael J; Law, Richard

2012-01-01

Taylor's law (TL), which states that variance in population density is related to mean density via a power law, and density-mass allometry, which states that mean density is related to body mass via a power law, are two of the most widely observed patterns in ecology. Combining these two laws predicts that the variance in density is related to body mass via a power law (variance-mass allometry). Marine size spectra are known to exhibit density-mass allometry, but variance-mass allometry has not been investigated. We show that variance and body mass in unexploited size spectrum models are related by a power law, and that this leads to TL with an exponent slightly <2. These simulated relationships are disrupted less by balanced harvesting, in which fishing effort is spread across a wide range of body sizes, than by size-at-entry fishing, in which only fish above a certain size may legally be caught. PMID:23301181

Quasiparticle and hybrid density functional methods in defect studies: An application to the nitrogen vacancy in GaN

NASA Astrophysics Data System (ADS)

Lewis, D. K.; Matsubara, M.; Bellotti, E.; Sharifzadeh, S.

2017-12-01

Defects in semiconductors can play a vital role in the performance of electronic devices, with native defects often dominating the electronic properties of the semiconductor. Understanding the relationship between structural defects and electronic function will be central to the design of new high-performance materials. In particular, it is necessary to quantitatively understand the energy and lifetime of electronic states associated with the defect. Here, we apply first-principles density functional theory (DFT) and many-body perturbation theory within the GW approximation to understand the nature and energy of the defect states associated with a charged nitrogen vacancy on the electronic properties of gallium nitride (GaN), as a model of a well-studied and important wide gap semiconductor grown with defects. We systematically investigate the sources of error associated with the GW approximation and the role of the underlying atomic structure on the predicted defect state energies. Additionally, analysis of the computed electronic density of states (DOS) reveals that there is one occupied defect state 0.2 eV below the valence band maximum and three unoccupied defect states at energy of 0.2-0.4 eV above the conduction band minimum, suggesting that this defect in the +1 charge state will not behave as a carrier trap. Furthermore, we compare the character and energy of the defect state obtained from GW and DFT using the HSE approximate density functional and find excellent agreement. This systematic study provides a more complete understanding of how to obtain quantitative defect energy states in bulk semiconductors.

Excited state absorption spectra of dissolved and aggregated distyrylbenzene: A TD-DFT state and vibronic analysis

NASA Astrophysics Data System (ADS)

Oliveira, Eliezer Fernando; Shi, Junqing; Lavarda, Francisco Carlos; Lüer, Larry; Milián-Medina, Begoña; Gierschner, Johannes

2017-07-01

A time-dependent density functional theory study is performed to reveal the excited state absorption (ESA) features of distyrylbenzene (DSB), a prototype π-conjugated organic oligomer. Starting with a didactic insight to ESA based on simple molecular orbital and configuration considerations, the performance of various density functional theory functionals is tested to reveal the full vibronic ESA features of DSB at short and long probe delay times.

Two-Component Noncollinear Time-Dependent Spin Density Functional Theory for Excited State Calculations.

PubMed

Egidi, Franco; Sun, Shichao; Goings, Joshua J; Scalmani, Giovanni; Frisch, Michael J; Li, Xiaosong

2017-06-13

We present a linear response formalism for the description of the electronic excitations of a noncollinear reference defined via Kohn-Sham spin density functional methods. A set of auxiliary variables, defined using the density and noncollinear magnetization density vector, allows the generalization of spin density functional kernels commonly used in collinear DFT to noncollinear cases, including local density, GGA, meta-GGA and hybrid functionals. Working equations and derivations of functional second derivatives with respect to the noncollinear density, required in the linear response noncollinear TDDFT formalism, are presented in this work. This formalism takes all components of the spin magnetization into account independent of the type of reference state (open or closed shell). As a result, the method introduced here is able to afford a nonzero local xc torque on the spin magnetization while still satisfying the zero-torque theorem globally. The formalism is applied to a few test cases using the variational exact-two-component reference including spin-orbit coupling to illustrate the capabilities of the method.

Experimental observations of nonlinearly enhanced 2omega-UH electromagnetic radiation excited by steady-state colliding electron beams

NASA Technical Reports Server (NTRS)

Intrator, T.; Hershkowitz, N.; Chan, C.

1984-01-01

Counterstreaming large-diameter electron beams in a steady-state laboratory experiment are observed to generate transverse radiation at twice the upper-hybrid frequency (2omega-UH) with a quadrupole radiation pattern. The electromagnetic wave power density is nonlinearly enhanced over the power density obtained from a single beam-plasma system. Electromagnetic power density scales exponentially with beam energy and increases with ion mass. Weak turbulence theory can predict similar (but weaker) beam energy scaling but not the high power density, or the predominance of the 2omega-UH radiation peak over the omega-UH peak. Significant noise near the upper-hybrid and ion plasma frequencies is also measured, with normalized electrostatic wave energy density W(ES)/n(e)T(e) approximately 0.01.

Visualization and simulation of density driven convection in porous media using magnetic resonance imaging

NASA Astrophysics Data System (ADS)

Montague, James A.; Pinder, George F.; Gonyea, Jay V.; Hipko, Scott; Watts, Richard

2018-05-01

Magnetic resonance imaging is used to observe solute transport in a 40 cm long, 26 cm diameter sand column that contained a central core of low permeability silica surrounded by higher permeability well-sorted sand. Low concentrations (2.9 g/L) of Magnevist, a gadolinium based contrast agent, produce density driven convection within the column when it starts in an unstable state. The unstable state, for this experiment, exists when higher density contrast agent is present above the lower density water. We implement a numerical model in OpenFOAM to reproduce the observed fluid flow and transport from a density difference of 0.3%. The experimental results demonstrate the usefulness of magnetic resonance imaging in observing three-dimensional gravity-driven convective-dispersive transport behaviors in medium scale experiments.

Escape from the competence state in Streptococcus mutans is governed by the bacterial population density.

PubMed

Dufour, D; Villemin, C; Perry, J A; Lévesque, C M

2016-12-01

Horizontal gene transfer through natural DNA transformation is an important evolutionary mechanism among bacteria. Transformation requires that the bacteria are physiologically competent to take and incorporate free DNA directly from the environment. Although natural genetic transformation is a remarkable feature of many naturally competent bacteria, the process is energetically expensive for the cells. Consequently, a tight control of the competence state is necessary. The objective of the present work was to help decipher the molecular mechanisms regulating the escape from the competence state in Streptococcus mutans, the principal etiological agent responsible for tooth decay in humans. Our results showed that the cessation of competence in S. mutans was abrupt, and did not involve the accumulation of a competence inhibitor nor the depletion of a competence activator in the extracellular environment. The competence state was repressed at high cell population density via concomitant repression of sigX gene encoding the master regulator of the competence regulon. Co-culture experiments performed with oral and non-oral bacteria showed that S. mutans assesses its own population density and also the microbial density of its surroundings to regulate its competence escape. Interestingly, neither the intra-species and extra-species quorum-sensing systems nor the other 13 two-component regulatory systems identified in S. mutans were involved in the cell-density-dependent escape of the competence state. Altogether, our results suggest a complex mechanism regulating the competence shut-off involving cell-density-dependent repression of sigX through an as yet undefined system, and possibly SigX protein stability. © 2015 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Absolute Hugoniot measurements from a spherically convergent shock using x-ray radiography

NASA Astrophysics Data System (ADS)

Swift, Damian C.; Kritcher, Andrea L.; Hawreliak, James A.; Lazicki, Amy; MacPhee, Andrew; Bachmann, Benjamin; Döppner, Tilo; Nilsen, Joseph; Collins, Gilbert W.; Glenzer, Siegfried; Rothman, Stephen D.; Kraus, Dominik; Falcone, Roger W.

2018-05-01

The canonical high pressure equation of state measurement is to induce a shock wave in the sample material and measure two mechanical properties of the shocked material or shock wave. For accurate measurements, the experiment is normally designed to generate a planar shock which is as steady as possible in space and time, and a single state is measured. A converging shock strengthens as it propagates, so a range of shock pressures is induced in a single experiment. However, equation of state measurements must then account for spatial and temporal gradients. We have used x-ray radiography of spherically converging shocks to determine states along the shock Hugoniot. The radius-time history of the shock, and thus its speed, was measured by radiographing the position of the shock front as a function of time using an x-ray streak camera. The density profile of the shock was then inferred from the x-ray transmission at each instant of time. Simultaneous measurement of the density at the shock front and the shock speed determines an absolute mechanical Hugoniot state. The density profile was reconstructed using the known, unshocked density which strongly constrains the density jump at the shock front. The radiographic configuration and streak camera behavior were treated in detail to reduce systematic errors. Measurements were performed on the Omega and National Ignition Facility lasers, using a hohlraum to induce a spatially uniform drive over the outside of a solid, spherical sample and a laser-heated thermal plasma as an x-ray source for radiography. Absolute shock Hugoniot measurements were demonstrated for carbon-containing samples of different composition and initial density, up to temperatures at which K-shell ionization reduced the opacity behind the shock. Here we present the experimental method using measurements of polystyrene as an example.

Assessment and Mapping of Forest Parcel Sizes

Treesearch

Brett J. Butler; Susan L. King

2005-01-01

A method for analyzing and mapping forest parcel sizes in the Northeastern United States is presented. A decision tree model was created that predicts forest parcel size from spatially explicit predictor variables: population density, State, percentage forest land cover, and road density. The model correctly predicted parcel size for 60 percent of the observations in a...

Effect of temperature-driven phase transition on energy-storage and -release properties of Pb0.97La0.02[Zr0.55Sn0.30Ti0.15]O3 ceramics

NASA Astrophysics Data System (ADS)

Xu, Ran; Tian, Jingjing; Zhu, Qingshan; Feng, Yujun; Wei, Xiaoyong; Xu, Zhuo

2017-07-01

Temperature-driven phase transition of Pb0.97La0.02[Zr0.55Sn0.30Ti0.15]O3 ceramics was studied, and the consecutive ferroelectric-antiferroelectric-paraelectric (FE-AFE-PE) switching was confirmed. The materials have better dielectric tunability (-82% to 50%) in the AFE state than in the FE state. Also, the phase transition influences the energy-storage and -release performance significantly. A sharp increase in releasable energy density and efficiency was observed due to the temperature-driven FE-AFE transition. Highest releasable energy density, current density, and peak power density were achieved at 130 °C, which was attributed to the highest backward transition field. The stored charge was released completely in AFE and PE states in the microseconds scale, while only a small part of it was released in the FE state. The above results indicate the huge impact of temperature-driven phase transition on dielectrics' performance, which is significant when developing AFE materials working in a wide temperature range.

Quantum molecular dynamics study on the structures and dc conductivity of warm dense silane

NASA Astrophysics Data System (ADS)

Sun, Huayang; Kang, Dongdong; Dai, Jiayu; Zeng, Jiaolong; Yuan, Jianmin

2014-02-01

The ionic and electronic structures of warm dense silane at the densities of 1.795, 2.260, 3.382, and 3.844 g/cm3 have been studied with temperatures from 1000 K to 3 eV using quantum molecular dynamics simulations. At all densities, the structures are melted above 1000 K. The matter states are characterized as polymeric from 1000 to 4000 K and become dense plasma states with further increasing temperature to 1 eV. At two lower densities of 1.795 and 2.260 g/cm3, silane first dissociates and then becomes the polymeric state via a chain state from the initial crystalline structure. At higher densities, however, no dissociation stage was found. These findings can help us understand how the warm dense matter forms. A rise is found for the direct current electric conductivity at T ˜1000 K, indicating the nonmetal-to-metal transition. The conductivity decreases slightly with the increase of temperature, which is due to the more disordered structures at higher temperatures.

Continuous Wave Ring-Down Spectroscopy for Velocity Distribution Measurements in Plasma

NASA Astrophysics Data System (ADS)

McCarren, Dustin W.

Cavity Ring-Down Spectroscopy CRDS is a proven, ultra-sensitive, cavity enhanced absorption spectroscopy technique. When combined with a continuous wavelength (CW) diode laser that has a sufficiently narrow line width, the Doppler broadened absorption line, i.e., the velocity distribution functions (VDFs) of the absorbing species, can be measured. Measurements of VDFs can be made using established techniques such as laser induced fluorescence (LIF). However, LIF suffers from the requirement that the initial state of the LIF sequence have a substantial density and that the excitation scheme fluoresces at an easily detectable wavelength. This usually limits LIF to ions and atoms with large metastable state densities for the given plasma conditions. CW-CRDS is considerably more sensitive than LIF and can potentially be applied to much lower density populations of ion and atom states. Also, as a direct absorption technique, CW-CRDS measurements only need to be concerned with the species' absorption wavelength and provide an absolute measure of the line integrated initial state density. Presented in this work are measurements of argon ion and neutral VDFs in a helicon plasma using CW-CRDS and LIF.

Invertibility of retarded response functions for Laplace transformable potentials: Application to one-body reduced density matrix functional theory.

PubMed

Giesbertz, K J H

2015-08-07

A theorem for the invertibility of arbitrary response functions is presented under the following conditions: the time dependence of the potentials should be Laplace transformable and the initial state should be a ground state, though it might be degenerate. This theorem provides a rigorous foundation for all density-functional-like theories in the time-dependent linear response regime. Especially for time-dependent one-body reduced density matrix (1RDM) functional theory, this is an important step forward, since a solid foundation has currently been lacking. The theorem is equally valid for static response functions in the non-degenerate case, so can be used to characterize the uniqueness of the potential in the ground state version of the corresponding density-functional-like theory. Such a classification of the uniqueness of the non-local potential in ground state 1RDM functional theory has been lacking for decades. With the aid of presented invertibility theorem presented here, a complete classification of the non-uniqueness of the non-local potential in 1RDM functional theory can be given for the first time.

Fist Principles Approach to the Magneto Caloric Effect: Application to Ni2MnGa

NASA Astrophysics Data System (ADS)

Odbadrakh, Khorgolkhuu; Nicholson, Don; Rusanu, Aurelian; Eisenbach, Markus; Brown, Gregory; Evans, Boyd, III

2011-03-01

The magneto-caloric effect (MCE) has potential application in heating and cooling technologies. In this work, we present calculated magnetic structure of a candidate MCE material, Ni 2 MnGa. The magnetic configurations of a 144 atom supercell is first explored using first-principle, the results are then used to fit exchange parameters of a Heisenberg Hamiltonian. The Wang-Landau method is used to calculate the magnetic density of states of the Heisenberg Hamiltonian. Based on this classical estimate, the magnetic density of states is calculated using the Wang Landau method with energies obtained from the first principles method. The Currie temperature and other thermodynamic properties are calculated using the density of states. The relationships between the density of magnetic states and the field induced adiabatic temperature change and isothermal entropy change are discussed. This work was sponsored by the Laboratory Directed Research and Development Program (ORNL), by the Mathematical, Information, and Computational Sciences Division; Office of Advanced Scientific Computing Research (US DOE), and by the Materials Sciences and Engineering Division; Office of Basic Energy Sciences (US DOE).

The Equation of State of Triamino-Trinitrobenzene from Density Functional Theory Molecular Dynamics

NASA Astrophysics Data System (ADS)

Wixom, Ryan R.

2017-06-01

The US-uP shock Hugoniot has long been the fundamental relationship used to experimentally define the unreacted equations of state of explosives. These experiments are typically performed on porous or composite samples, providing data that is specific to the density of the samples being tested. However, If the crystalline Hugoniot is known, analytical or numerical methods can be used to transform the US-uP relationship to describe the shock response of the porous material. To obtain an accurate crystalline equation of state for TATB, density functional theory based molecular dynamics were used to map out points on the Hugoniot. Since this method provides the pressure, temperature, density, and internal energy at each point on the Hugoniot, a complete equation of state can be constructed. Isotropic, uniaxial, hydrostatic, and isothermal compression of the simulation cell were used to examine TATB under different thermodynamic conditions. A cusp is observed in the Hugoniot that correlates to loss of aromaticity of the molecule. Results of the calculations will be presented and compared to the available experimental data. Center for Integrated Nanotechnologies, Sandia National Laboratories, Albuquerque NM.

Many-body instabilities and mass generation in slow Dirac materials

NASA Astrophysics Data System (ADS)

Triola, Christopher; Zhu, Jian-Xin; Migliori, Albert; Balatsky, Alexander V.

2015-07-01

Some Kondo insulators are expected to possess topologically protected surface states with linear Dirac spectrum: the topological Kondo insulators. Because the bulk states of these systems typically have heavy effective electron masses, the surface states may exhibit extraordinarily small Fermi velocities that could force the effective fine structure constant of the surface states into the strong coupling regime. Using a tight-binding model, we study the many-body instabilities of these systems and identify regions of parameter space in which the system exhibits spin density wave and charge density wave order.

Sensitivity of Rogue Waves Predictions to the Oceanic Stratification

NASA Astrophysics Data System (ADS)

Guo, Qiuchen; Alam, Mohammad-Reza

2014-11-01

Oceanic rogue waves are short-lived very large amplitude waves (a giant crest typically followed or preceded by a deep trough) that appear and disappear suddenly in the ocean causing damages to ships and offshore structures. Assuming that the state of the ocean at the present time is perfectly known, then the upcoming rogue waves can be predicted via numerically solving the equations that govern the evolution of the waves. The state of the art radar technology can now provide accurate wave height measurement over large spatial domains and when combined with advanced wave-field reconstruction techniques together render deterministic details of the current state of the ocean (i.e. surface elevation and velocity field) at any given moment of the time with a very high accuracy. The ocean water density is, however, stratified (mainly due to the salinity and temperature differences). This density stratification, with today's technology, is very difficult to be measured accurately. As a result in most predictive schemes these density variations are neglected. While the overall effect of the stratification on the average state of the ocean may not be significant, here we show that these density variations can strongly affect the prediction of oceanic rogue waves. Specifically, we consider a broadband oceanic spectrum in a two-layer density stratified fluid, and study via extensive statistical analysis the effects of strength of the stratification (difference between densities) and the depth of the thermocline on the prediction of upcoming rogue waves.

Systematic analysis of inelastic α scattering off self-conjugate A =4 n nuclei

NASA Astrophysics Data System (ADS)

Adachi, S.; Kawabata, T.; Minomo, K.; Kadoya, T.; Yokota, N.; Akimune, H.; Baba, T.; Fujimura, H.; Fujiwara, M.; Funaki, Y.; Furuno, T.; Hashimoto, T.; Hatanaka, K.; Inaba, K.; Ishii, Y.; Itoh, M.; Iwamoto, C.; Kawase, K.; Maeda, Y.; Matsubara, H.; Matsuda, Y.; Matsuno, H.; Morimoto, T.; Morita, H.; Murata, M.; Nanamura, T.; Ou, I.; Sakaguchi, S.; Sasamoto, Y.; Sawada, R.; Shimizu, Y.; Suda, K.; Tamii, A.; Tameshige, Y.; Tsumura, M.; Uchida, M.; Uesaka, T.; Yoshida, H. P.; Yoshida, S.

2018-01-01

We systematically measured the differential cross sections of inelastic α scattering off self-conjugate A =4 n nuclei at two incident energies Eα=130 MeV and 386 MeV at Research Center for Nuclear Physics, Osaka University. The measured cross sections were analyzed by the distorted-wave Born-approximation (DWBA) calculation using the single-folding potentials, which are obtained by folding macroscopic transition densities with the phenomenological α N interaction. The DWBA calculation with the density-dependent α N interaction systematically overestimates the cross sections for the Δ L =0 transitions. However, the DWBA calculation using the density-independent α N interaction reasonably well describes all the transitions with Δ L =0 -4. We examined uncertainties in the present DWBA calculation stemming from the macroscopic transition densities, distorting potentials, phenomenological α N interaction, and coupled channel effects in 12C. It was found that the DWBA calculation is not sensitive to details of the transition densities nor the distorting potentials, and the phenomenological density-independent α N interaction gives reasonable results. The coupled-channel effects are negligibly small for the 21+ and 31- states in 12C, but not for the 02+ state. However, the DWBA calculation using the density-independent interaction at Eα=386 MeV is still reasonable even for the 02+ state. We concluded that the macroscopic DWBA calculations using the density-independent interaction are reliably applicable to the analysis of inelastic α scattering at Eα˜100 MeV /u .

Deadly competition and life-saving predation: the potential for alternative stable states in a stage-structured predator–prey system

PubMed Central

Rombado, Bianca R.; Rudolf, Volker H. W.

2016-01-01

Predators often undergo complete ontogenetic diet shifts, engaging in resource competition with species that become their prey during later developmental stages. Theory posits that this mix of stage-specific competition and predation, termed life-history intraguild predation (LHIGP), can lead to alternative stable states. In one state, prey exclude predators through competition (i.e. juvenile competitive bottleneck), while in the alternative, adult predators control prey density to limit competition and foster coexistence. Nevertheless, the interactions leading to these states have not been demonstrated in an empirical LHIGP system. To address this gap, we manipulated densities of cannibalistic adult cyclopoid copepods (Mesocyclops edax) and their cladoceran prey (Daphnia pulex) in a response-surface design and measured the maturation and survival of juvenile copepods (nauplii). We found that Daphnia reduced and even precluded both nauplii maturation and survival through depletion of a shared food resource. As predicted, adult copepods enhanced nauplii maturation and survival through Daphnia consumption, yet this positive effect was dependent on the relative abundance of Daphnia as well as the absolute density of adult copepods. Adult copepods reduced nauplii survival through cannibalism at low Daphnia densities and at the highest copepod density. This work demonstrates that predation can relax a strong juvenile competitive bottleneck in freshwater zooplankton, though cannibalism can reduce predator recruitment. Thus, our results highlight a key role for cannibalism in LHIGP dynamics and provide evidence for the interactions that drive alternative stable states in such systems. PMID:27581881

Methods for passivating silicon devices at low temperature to achieve low interface state density and low recombination velocity while preserving carrier lifetime

DOEpatents

Chen, Zhizhang; Rohatgi, Ajeet

1995-01-01

A new process has been developed to achieve a very low SiO.sub.x /Si interface state density D.sub.it, low recombination velocity S (<2 cm/s), and high effective carrier lifetime T.sub.eff (>5 ms) for oxides deposited on silicon substrates at low temperature. The technique involves direct plasma-enhanced chemical vapor deposition (PECVD), with appropriate growth conditions, followed by a photo-assisted rapid thermal annealing (RTA) process. Approximately 500-A-thick SiO.sub.x layers are deposited on Si by PECVD at 250.degree. C. with 0.02 W/cm.sup.-2 rf power, then covered with SiN or an evaporated thin aluminum layer, and subjected to a photo-assisted anneal in forming gas ambient at 350.degree. C., resulting in an interface state density D.sub.it in the range of about 1-4.times.10.sup.10 cm.sup.-2 eV.sup.-1, which sets a record for the lowest interface state density D.sub.it for PECVD oxides fabricated to date. Detailed analysis shows that the PECVD deposition conditions, photo-assisted anneal, forming gas ambient, and the presence of an aluminum layer on top of the oxides during the anneal, all contributed to this low value of interface state density D.sub.it. Detailed metal-oxide semiconductor analysis and model calculations show that such a low recombination velocity S is the result of moderately high positive oxide charge (5.times.10.sup.11 -1.times.10.sup.12 cm.sup.-2) and relatively low midgap interface state density (1.times.10.sup.10 -4.times.10.sup.10 cm.sup.-2 eV.sup.-1). Photo-assisted anneal was found to be superior to furnace annealing, and a forming gas ambient was better than a nitrogen ambient for achieving a very low surface recombination velocity S.

Breast Density Notification Legislation and Breast Cancer Stage at Diagnosis: Early Evidence from the SEER Registry.

PubMed

Richman, Ilana; Asch, Steven M; Bendavid, Eran; Bhattacharya, Jay; Owens, Douglas K

2017-06-01

Twenty-eight states have passed breast density notification laws, which require physicians to inform women of a finding of dense breasts on mammography. To evaluate changes in breast cancer stage at diagnosis after enactment of breast density notification legislation. Using a difference-in-differences analysis, we examined changes in stage at diagnosis among women with breast cancer in Connecticut, the first state to enact legislation, compared to changes among women in control states. We used data from the Surveillance, Epidemiology, and End Results Program (SEER) registry, 2005-2013. Women ages 40-74 with breast cancer. Breast density notification legislation, enacted in Connecticut in October of 2009. Breast cancer stage at diagnosis. Our study included 466,930 women, 25,592 of whom lived in Connecticut. Legislation was associated with a 1.38-percentage-point (95 % CI 0.12 to 2.63) increase in the proportion of women in Connecticut versus control states who had localized invasive cancer at the time of diagnosis, and a 1.12-percentage-point (95 % CI -2.21 to -0.08) decline in the proportion of women with ductal carcinoma in situ at diagnosis. Breast density notification legislation was not associated with a change in the proportion of women in Connecticut versus control states with regional-stage (-0.09 percentage points, 95 % CI -1.01 to 1.02) or metastatic disease (-0.24, 95 % CI -0.75 to 0.28). County-level analyses and analyses limited to women younger than 50 found no statistically significant associations. Single intervention state, limited follow-up, potential confounding from unobserved trends. Breast density notification legislation in Connecticut was associated with a small increase in the proportion of women diagnosed with localized invasive breast cancer in individual-level but not county-level analyses. Whether this finding reflects potentially beneficial early detection or potentially harmful overdiagnosis is not known. Legislation was not associated with changes in regional or metastatic disease.

Transition of vegetation states positively affects harvester ants in the Great Basin, United States

USGS Publications Warehouse

Holbrook, Joseph D.; Pilliod, David S.; Arkle, Robert; Rachlow, Janet L.; Vierling, Kerri T.; Wiest, Michelle M.

2016-01-01

Invasions by non-native plants can alter ecosystems such that new ecological states are reached, but less is known about how these transitions influence animal populations. Sagebrush (Artemisia tridentata) ecosystems are experiencing state changes because of fire and invasion by exotic annual grasses. Our goal was to study the effects of these state changes on the Owyhee and western harvester ants (Pogonomyrmex salinusOlsen and P. occidentalis Cresson, respectively). We sampled 358 1-ha plots across the northern Great Basin, which captured unburned and burned conditions across 1 −≥31 years postfire. Our results indicated an immediate and consistent change in vegetation states from shrubland to grassland between 1 and 31 years postfire. Harvester ant occupancy was unrelated to time since fire, whereas we observed a positive effect of fire on nest density. Similarly, we discovered that fire and invasion by exotic annuals were weak predictors of harvester ant occupancy but strong predictors of nest density. Occupancy of harvester ants was more likely in areas with finer-textured soils, low precipitation, abundant native forbs, and low shrub cover. Nest density was higher in arid locations that recently burned and exhibited abundant exotic annual and perennial (exotic and native) grasses. Finally, we discovered that burned areas that received postfire restoration had minimal influence on harvester ant occupancy or nest density compared with burned and untreated areas. These results suggest that fire-induced state changes from native shrublands to grasslands dominated by non-native grasses have a positive effect on density of harvester ants (but not occupancy), and that postfire restoration does not appear to positively or negatively affect harvester ants. Although wildfire and invasion by exotic annual grasses may negatively affect other species, harvester ants may indeed be one of the few winners among a myriad of losers linked to vegetation state changes within sagebrush ecosystems.

Two-parameter partially correlated ground-state electron density of some light spherical atoms from Hartree-Fock theory with nonintegral nuclear charge

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

Cordero, Nicolas A.; March, Norman H.; Alonso, Julio A.

2007-05-15

Partially correlated ground-state electron densities for some spherical light atoms are calculated, into which nonrelativistic ionization potentials represent essential input data. The nuclear cusp condition of Kato is satisfied precisely. The basic theoretical starting point, however, is Hartree-Fock (HF) theory for the N electrons under consideration but with nonintegral nuclear charge Z{sup '} slightly different from the atomic number Z (=N). This HF density is scaled with a parameter {lambda}, near to unity, to preserve normalization. Finally, some tests are performed on the densities for the atoms Ne and Ar, as well as for Be and Mg.

Modelling charge transfer reactions with the frozen density embedding formalism.

PubMed

Pavanello, Michele; Neugebauer, Johannes

2011-12-21

The frozen density embedding (FDE) subsystem formulation of density-functional theory is a useful tool for studying charge transfer reactions. In this work charge-localized, diabatic states are generated directly with FDE and used to calculate electronic couplings of hole transfer reactions in two π-stacked nucleobase dimers of B-DNA: 5'-GG-3' and 5'-GT-3'. The calculations rely on two assumptions: the two-state model, and a small differential overlap between donor and acceptor subsystem densities. The resulting electronic couplings agree well with benchmark values for those exchange-correlation functionals that contain a high percentage of exact exchange. Instead, when semilocal GGA functionals are used the electronic couplings are grossly overestimated.

Fractional Wigner Crystal in the Helical Luttinger Liquid.

PubMed

Traverso Ziani, N; Crépin, F; Trauzettel, B

2015-11-13

The properties of the strongly interacting edge states of two dimensional topological insulators in the presence of two-particle backscattering are investigated. We find an anomalous behavior of the density-density correlation functions, which show oscillations that are neither of Friedel nor of Wigner type: they, instead, represent a Wigner crystal of fermions of fractional charge e/2, with e the electron charge. By studying the Fermi operator, we demonstrate that the state characterized by such fractional oscillations still bears the signatures of spin-momentum locking. Finally, we compare the spin-spin correlation functions and the density-density correlation functions to argue that the fractional Wigner crystal is characterized by a nontrivial spin texture.

Enhanced coherent oscillations in the superconducting state of underdoped YB a 2 C u 3 O 6 + x induced via ultrafast terahertz excitation

DOE PAGES

Dakovski, Georgi L.; Lee, Wei -Sheng; Hawthorn, David G.; ...

2015-06-24

We utilize intense, single-cycle terahertz pulses to induce collective excitations in the charge-density-wave-ordered underdoped cuprate YBa 2Cu 3O 6+x. These excitations manifest themselves as pronounced coherent oscillations of the optical reflectivity in the transient state, accompanied by minimal incoherent quasiparticle relaxation dynamics. The oscillations occur at frequencies consistent with soft phonon energies associated with the charge-density-wave, but vanish above the superconducting transition temperature rather than that at the charge-density-wave transition. These results indicate an intimate relationship of the terahertz excitation with the underlying charge-density-wave and the superconducting condensate itself.

Light-front representation of chiral dynamics with Δ isobar and large-N c relations

DOE PAGES

Granados, C.; Weiss, C.

2016-06-13

Transverse densities describe the spatial distribution of electromagnetic current in the nucleon at fixed light-front time. At peripheral distances b = O(M π –1) the densities are governed by chiral dynamics and can be calculated model-independently using chiral effective field theory (EFT). Recent work has shown that the EFT results can be represented in first-quantized form, as overlap integrals of chiral light-front wave functions describing the transition of the nucleon to soft-pion-nucleon intermediate states, resulting in a quantum-mechanical picture of the peripheral transverse densities. We now extend this representation to include intermediate states with Δ isobars and implement relations basedmore » on the large-N c limit of QCD. We derive the wave function overlap formulas for the Δ contributions to the peripheral transverse densities by way of a three-dimensional reduction of relativistic chiral EFT expressions. Our procedure effectively maintains rotational invariance and avoids the ambiguities with higher-spin particles in the light-front time-ordered approach. We study the interplay of πN and πΔ intermediate states in the quantum-mechanical picture of the densities in a transversely polarized nucleon. We show that the correct N c-scaling of the charge and magnetization densities emerges as the result of the particular combination of currents generated by intermediate states with degenerate N and Δ. The off-shell behavior of the chiral EFT is summarized in contact terms and can be studied easily. As a result, the methods developed here can be applied to other peripheral densities and to moments of the nucleon's generalized parton distributions.« less

A formal method for identifying distinct states of variability in time-varying sources: SGR A* as an example

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

Meyer, L.; Witzel, G.; Ghez, A. M.

2014-08-10

Continuously time variable sources are often characterized by their power spectral density and flux distribution. These quantities can undergo dramatic changes over time if the underlying physical processes change. However, some changes can be subtle and not distinguishable using standard statistical approaches. Here, we report a methodology that aims to identify distinct but similar states of time variability. We apply this method to the Galactic supermassive black hole, where 2.2 μm flux is observed from a source associated with Sgr A* and where two distinct states have recently been suggested. Our approach is taken from mathematical finance and works withmore » conditional flux density distributions that depend on the previous flux value. The discrete, unobserved (hidden) state variable is modeled as a stochastic process and the transition probabilities are inferred from the flux density time series. Using the most comprehensive data set to date, in which all Keck and a majority of the publicly available Very Large Telescope data have been merged, we show that Sgr A* is sufficiently described by a single intrinsic state. However, the observed flux densities exhibit two states: noise dominated and source dominated. Our methodology reported here will prove extremely useful to assess the effects of the putative gas cloud G2 that is on its way toward the black hole and might create a new state of variability.« less

Surface-state depopulation on small Ag(111) terraces.

PubMed

Morgenstern, Karina; Braun, Kai-Felix; Rieder, Karl-Heinz

2002-11-25

The dependence of the local density of states near the Fermi energy E(F) on the width of terraces T is investigated by tunneling scanning spectroscopy on Ag(111) at 7 K. With decreasing T, the electronic density in the occupied surface state shifts monotonically towards E(F), leading to a depopulation at T=3.2 nm in quantitative agreement with a Fabry-Pérot model. Depopulation coincides with a switch from confinement by terrace modulation to step modulation.

Majorana spin in magnetic atomic chain systems

NASA Astrophysics Data System (ADS)

Li, Jian; Jeon, Sangjun; Xie, Yonglong; Yazdani, Ali; Bernevig, B. Andrei

2018-03-01

In this paper, we establish that Majorana zero modes emerging from a topological band structure of a chain of magnetic atoms embedded in a superconductor can be distinguished from trivial localized zero energy states that may accidentally form in this system using spin-resolved measurements. To demonstrate this key Majorana diagnostics, we study the spin composition of magnetic impurity induced in-gap Shiba states in a superconductor using a hybrid model. By examining the spin and spectral densities in the context of the Bogoliubov-de Gennes (BdG) particle-hole symmetry, we derive a sum rule that relates the spin densities of localized Shiba states with those in the normal state without superconductivity. Extending our investigations to a ferromagnetic chain of magnetic impurities, we identify key features of the spin properties of the extended Shiba state bands, as well as those associated with a localized Majorana end mode when the effect of spin-orbit interaction is included. We then formulate a phenomenological theory for the measurement of the local spin densities with spin-polarized scanning tunneling microscopy (STM) techniques. By combining the calculated spin densities and the measurement theory, we show that spin-polarized STM measurements can reveal a sharp contrast in spin polarization between an accidental-zero-energy trivial Shiba state and a Majorana zero mode in a topological superconducting phase in atomic chains. We further confirm our results with numerical simulations that address generic parameter settings.

Quantum State Tomography via Reduced Density Matrices.

PubMed

Xin, Tao; Lu, Dawei; Klassen, Joel; Yu, Nengkun; Ji, Zhengfeng; Chen, Jianxin; Ma, Xian; Long, Guilu; Zeng, Bei; Laflamme, Raymond

2017-01-13

Quantum state tomography via local measurements is an efficient tool for characterizing quantum states. However, it requires that the original global state be uniquely determined (UD) by its local reduced density matrices (RDMs). In this work, we demonstrate for the first time a class of states that are UD by their RDMs under the assumption that the global state is pure, but fail to be UD in the absence of that assumption. This discovery allows us to classify quantum states according to their UD properties, with the requirement that each class be treated distinctly in the practice of simplifying quantum state tomography. Additionally, we experimentally test the feasibility and stability of performing quantum state tomography via the measurement of local RDMs for each class. These theoretical and experimental results demonstrate the advantages and possible pitfalls of quantum state tomography with local measurements.

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

Ullrich, C. A.; Kohn, W.

An electron density distribution n(r) which can be represented by that of a single-determinant ground state of noninteracting electrons in an external potential v(r) is called pure-state v -representable (P-VR). Most physical electronic systems are P-VR. Systems which require a weighted sum of several such determinants to represent their density are called ensemble v -representable (E-VR). This paper develops formal Kohn-Sham equations for E-VR physical systems, using the appropriate coupling constant integration. It also derives local density- and generalized gradient approximations, and conditions and corrections specific to ensembles.

Band structure and phonon properties of lithium fluoride at high pressure

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

Panchal, J. M., E-mail: amitjignesh@yahoo.co.in; Department of Physics, University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat; Joshi, Mitesh

2016-05-23

High pressure structural and electronic properties of Lithium Fluoride (LiF) have been studied by employing an ab-initio pseudopotential method and a linear response scheme within the density functional theory (DFT) in conjunction with quasi harmonic Debye model. The band structure and electronic density of states conforms that the LiF is stable and is having insulator behavior at ambient as well as at high pressure up to 1 Mbar. Conclusions based on Band structure, phonon dispersion and phonon density of states are outlined.

Diagrams for the Free Energy and Density Weight Factors of the Ising Models.

DTIC Science & Technology

1983-01-01

sum to zero . The associated R. A. Farrell, T. Morita, and P. H. E. Meijer, "Cluster Expan- also, "_ ratum: New Generating Functions and Results for the...given for the cubic lattices. We employ a theorem that states that a certain sum of diagrams is zero in order to obtain the density-dependent weight...these diagrams are given for the cubic lattices. We employ a theorem that states that a certain sum of diagrams is zero in order to obtain the density

Quantum quench in one dimension: coherent inhomogeneity amplification and "supersolitons".

PubMed

Foster, Matthew S; Yuzbashyan, Emil A; Altshuler, Boris L

2010-09-24

We study a quantum quench in a 1D system possessing Luttinger liquid (LL) and Mott insulating ground states before and after the quench, respectively. We show that the quench induces power law amplification in time of any particle density inhomogeneity in the initial LL ground state. The scaling exponent is set by the fractionalization of the LL quasiparticle number relative to the insulator. As an illustration, we consider the traveling density waves launched from an initial localized density bump. While these waves exhibit a particular rigid shape, their amplitudes grow without bound.

The maximum entropy production and maximum Shannon information entropy in enzyme kinetics

NASA Astrophysics Data System (ADS)

Dobovišek, Andrej; Markovič, Rene; Brumen, Milan; Fajmut, Aleš

2018-04-01

We demonstrate that the maximum entropy production principle (MEPP) serves as a physical selection principle for the description of the most probable non-equilibrium steady states in simple enzymatic reactions. A theoretical approach is developed, which enables maximization of the density of entropy production with respect to the enzyme rate constants for the enzyme reaction in a steady state. Mass and Gibbs free energy conservations are considered as optimization constraints. In such a way computed optimal enzyme rate constants in a steady state yield also the most uniform probability distribution of the enzyme states. This accounts for the maximal Shannon information entropy. By means of the stability analysis it is also demonstrated that maximal density of entropy production in that enzyme reaction requires flexible enzyme structure, which enables rapid transitions between different enzyme states. These results are supported by an example, in which density of entropy production and Shannon information entropy are numerically maximized for the enzyme Glucose Isomerase.

An atomic orbital based real-time time-dependent density functional theory for computing electronic circular dichroism band spectra

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

Goings, Joshua J.; Li, Xiaosong, E-mail: xsli@uw.edu

2016-06-21

One of the challenges of interpreting electronic circular dichroism (ECD) band spectra is that different states may have different rotatory strength signs, determined by their absolute configuration. If the states are closely spaced and opposite in sign, observed transitions may be washed out by nearby states, unlike absorption spectra where transitions are always positive additive. To accurately compute ECD bands, it is necessary to compute a large number of excited states, which may be prohibitively costly if one uses the linear-response time-dependent density functional theory (TDDFT) framework. Here we implement a real-time, atomic-orbital based TDDFT method for computing the entiremore » ECD spectrum simultaneously. The method is advantageous for large systems with a high density of states. In contrast to previous implementations based on real-space grids, the method is variational, independent of nuclear orientation, and does not rely on pseudopotential approximations, making it suitable for computation of chiroptical properties well into the X-ray regime.« less

A state interaction spin-orbit coupling density matrix renormalization group method

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

Sayfutyarova, Elvira R.; Chan, Garnet Kin-Lic

We describe a state interaction spin-orbit (SISO) coupling method using density matrix renormalization group (DMRG) wavefunctions and the spin-orbit mean-field (SOMF) operator. We implement our DMRG-SISO scheme using a spin-adapted algorithm that computes transition density matrices between arbitrary matrix product states. To demonstrate the potential of the DMRG-SISO scheme we present accurate benchmark calculations for the zero-field splitting of the copper and gold atoms, comparing to earlier complete active space self-consistent-field and second-order complete active space perturbation theory results in the same basis. We also compute the effects of spin-orbit coupling on the spin-ladder of the iron-sulfur dimer complex [Fe{submore » 2}S{sub 2}(SCH{sub 3}){sub 4}]{sup 3−}, determining the splitting of the lowest quartet and sextet states. We find that the magnitude of the zero-field splitting for the higher quartet and sextet states approaches a significant fraction of the Heisenberg exchange parameter.« less

Density-Difference-Driven Optimized Embedding Potential Method To Study the Spectroscopy of Br₂ in Water Clusters.

PubMed

Roncero, Octavio; Aguado, Alfredo; Batista-Romero, Fidel A; Bernal-Uruchurtu, Margarita I; Hernández-Lamoneda, Ramón

2015-03-10

A variant of the density difference driven optimized embedding potential (DDD-OEP) method, proposed by Roncero et al. (J. Chem. Phys. 2009, 131, 234110), has been applied to the calculation of excited states of Br2 within small water clusters. It is found that the strong interaction of Br2 with the lone electronic pair of the water molecules makes necessary to optimize specific embedding potentials for ground and excited electronic states, separately and using the corresponding densities. Diagnosis and convergence studies are presented with the aim of providing methods to be applied for the study of chromophores in solution. Also, some preliminary results obtained for the study of electronic states of Br2 in clathrate cages are presented.

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

Do, Hainam, E-mail: h.do@nottingham.ac.uk, E-mail: richard.wheatley@nottingham.ac.uk; Wheatley, Richard J., E-mail: h.do@nottingham.ac.uk, E-mail: richard.wheatley@nottingham.ac.uk

A robust and model free Monte Carlo simulation method is proposed to address the challenge in computing the classical density of states and partition function of solids. Starting from the minimum configurational energy, the algorithm partitions the entire energy range in the increasing energy direction (“upward”) into subdivisions whose integrated density of states is known. When combined with the density of states computed from the “downward” energy partitioning approach [H. Do, J. D. Hirst, and R. J. Wheatley, J. Chem. Phys. 135, 174105 (2011)], the equilibrium thermodynamic properties can be evaluated at any temperature and in any phase. The methodmore » is illustrated in the context of the Lennard-Jones system and can readily be extended to other molecular systems and clusters for which the structures are known.« less

dc Resistivity of Quantum Critical, Charge Density Wave States from Gauge-Gravity Duality

NASA Astrophysics Data System (ADS)

Amoretti, Andrea; Areán, Daniel; Goutéraux, Blaise; Musso, Daniele

2018-04-01

In contrast to metals with weak disorder, the resistivity of weakly pinned charge density waves (CDWs) is not controlled by irrelevant processes relaxing momentum. Instead, the leading contribution is governed by incoherent, diffusive processes which do not drag momentum and can be evaluated in the clean limit. We compute analytically the dc resistivity for a family of holographic charge density wave quantum critical phases and discuss its temperature scaling. Depending on the critical exponents, the ground state can be conducting or insulating. We connect our results to dc electrical transport in underdoped cuprate high Tc superconductors. We conclude by speculating on the possible relevance of unstable, semilocally critical CDW states to the strange metallic region.

The Elegance of Disordered Granular Packings: A Validation of Edwards' Hypothesis

NASA Technical Reports Server (NTRS)

Metzger, Philip T.; Donahue, Carly M.

2004-01-01

We have found a way to analyze Edwards' density of states for static granular packings in the special case of round, rigid, frictionless grains assuming constant coordination number. It obtains the most entropic density of single grain states, which predicts several observables including the distribution of contact forces. We compare these results against empirical data obtained in dynamic simulations of granular packings. The agreement between theory and the empirics is quite good, helping validate the use of statistical mechanics methods in granular physics. The differences between theory and empirics are mainly due to the variable coordination number, and when the empirical data are sorted by that number we obtain several insights that suggest an underlying elegance in the density of states

dc Resistivity of Quantum Critical, Charge Density Wave States from Gauge-Gravity Duality.

PubMed

Amoretti, Andrea; Areán, Daniel; Goutéraux, Blaise; Musso, Daniele

2018-04-27

In contrast to metals with weak disorder, the resistivity of weakly pinned charge density waves (CDWs) is not controlled by irrelevant processes relaxing momentum. Instead, the leading contribution is governed by incoherent, diffusive processes which do not drag momentum and can be evaluated in the clean limit. We compute analytically the dc resistivity for a family of holographic charge density wave quantum critical phases and discuss its temperature scaling. Depending on the critical exponents, the ground state can be conducting or insulating. We connect our results to dc electrical transport in underdoped cuprate high T_{c} superconductors. We conclude by speculating on the possible relevance of unstable, semilocally critical CDW states to the strange metallic region.

Shock compression experiments on Lithium Deuteride (LiD) single crystals

DOE PAGES

Knudson, M. D.; Desjarlais, M. P.; Lemke, R. W.

2016-12-21

Shock compression experiments in the few hundred GPa (multi-Mabr) regime were performed on Lithium Deuteride (LiD) single crystals. This study utilized the high velocity flyer plate capability of the Sandia Z Machine to perform impact experiments at flyer plate velocities in the range of 17-32 km/s. Measurements included pressure, density, and temperature between ~200-600 GPa along the Principal Hugoniot – the locus of end states achievable through compression by large amplitude shock waves – as well as pressure and density of re - shock states up to ~900 GPa. Lastly, the experimental measurements are compared with recent density functional theorymore » calculations as well as a new tabular equation of state developed at Los Alamos National Labs.« less

Frustration-induced internal stresses are responsible for quasilocalized modes in structural glasses

NASA Astrophysics Data System (ADS)

Lerner, Edan; Bouchbinder, Eran

2018-03-01

It has been recently shown [E. Lerner, G. Düring, and E. Bouchbinder, Phys. Rev. Lett. 117, 035501 (2016), 10.1103/PhysRevLett.117.035501] that the nonphononic vibrational modes of structural glasses at low frequencies ω are quasilocalized and follow a universal density of states D (ω ) ˜ω4 . Here we show that the gapless nature of the observed density of states depends on the existence of internal stresses that generically emerge in glasses due to frustration, thus elucidating a basic element underlying this universal behavior. Similarly to jammed particulate packings, low-frequency modes in structural glasses emerge from a balance between a local elasticity term and an internal stress term in the dynamical matrix, where the difference between them is orders of magnitude smaller than their typical magnitude. By artificially reducing the magnitude of internal stresses in a computer glass former in three dimensions, we show that a gap is formed in the density of states below which no vibrational modes exist, thus demonstrating the crucial importance of internal stresses. Finally, we show that while better annealing the glass upon cooling from the liquid state significantly reduces its internal stresses, the self-organizational processes during cooling render the gapless D (ω ) ˜ω4 density of state unaffected.

Effects of oxygen concentration on atmospheric pressure dielectric barrier discharge in Argon-Oxygen Mixture

NASA Astrophysics Data System (ADS)

Li, Xuechun; Li, Dian; Wang, Younian

2016-09-01

A dielectric barrier discharge (DBD) can generate a low-temperature plasma easily at atmospheric pressure and has been investigated for applications in trials in cancer therapy, sterilization, air pollution control, etc. It has been confirmed that reactive oxygen species (ROS) play a key role in the processes. In this work, we use a fluid model to simulate the plasma characteristics for DBD in argon-oxygen mixture. The effects of oxygen concentration on the plasma characteristics have been discussed. The evolution mechanism of ROS has been systematically analyzed. It was found that the ground state oxygen atoms and oxygen molecular ions are the dominated oxygen species under the considered oxygen concentrations. With the oxygen concentration increasing, the densities of electrons, argon atomic ions, resonance state argon atoms, metastable state argon atoms and excited state argon atoms all show a trend of decline. The oxygen molecular ions density is high and little influenced by the oxygen concentration. Ground state oxygen atoms density tends to increase before falling. The ozone density increases significantly. Increasing the oxygen concentration, the discharge mode begins to change gradually from the glow discharge mode to Townsend discharge mode. Project supported by the National Natural Science Foundation of China (Grant No. 11175034).

Characteristic density contrasts in the evolution of superclusters. The case of A2142 supercluster

NASA Astrophysics Data System (ADS)

Gramann, Mirt; Einasto, Maret; Heinämäki, Pekka; Teerikorpi, Pekka; Saar, Enn; Nurmi, Pasi; Einasto, Jaan

2015-09-01

Context. The formation and evolution of the cosmic web in which galaxy superclusters are the largest relatively isolated objects is governed by a gravitational attraction of dark matter and antigravity of dark energy (cosmological constant). Aims: We study the characteristic density contrasts in the spherical collapse model for several epochs in the supercluster evolution and their dynamical state. Methods: We analysed the density contrasts for the turnaround, future collapse, and zero gravity in different ΛCDM models and applied them to study the dynamical state of the supercluster A2142 with an almost spherical main body, making it a suitable test object to apply a model that assumes sphericity. Results: We present characteristic density contrasts in the spherical collapse model for different cosmological parameters. The analysis of the supercluster A2142 shows that its high-density core has already started to collapse. The zero-gravity line outlines the outer region of the main body of the supercluster. In the course of future evolution, the supercluster may split into several collapsing systems. Conclusions: The various density contrasts presented in our study and applied to the supercluster A2142 offer a promising way to characterise the dynamical state and expected future evolution of galaxy superclusters.

Visualization and simulation of density driven convection in porous media using magnetic resonance imaging.

PubMed

Montague, James A; Pinder, George F; Gonyea, Jay V; Hipko, Scott; Watts, Richard

2018-05-01

Magnetic resonance imaging is used to observe solute transport in a 40cm long, 26cm diameter sand column that contained a central core of low permeability silica surrounded by higher permeability well-sorted sand. Low concentrations (2.9g/L) of Magnevist, a gadolinium based contrast agent, produce density driven convection within the column when it starts in an unstable state. The unstable state, for this experiment, exists when higher density contrast agent is present above the lower density water. We implement a numerical model in OpenFOAM to reproduce the observed fluid flow and transport from a density difference of 0.3%. The experimental results demonstrate the usefulness of magnetic resonance imaging in observing three-dimensional gravity-driven convective-dispersive transport behaviors in medium scale experiments. Copyright © 2017 Elsevier B.V. All rights reserved.

Measurements of neutral helium density in helicon plasmas.

PubMed

Houshmandyar, Saeid; Sears, Stephanie H; Thakur, Saikat Chakraborty; Carr, Jerry; Galante, Matthew E; Scime, Earl E

2010-10-01

Laser-induced-fluorescence (LIF) is used to measure the density of helium atoms in a helicon plasma source. For a pump wavelength of 587.725 nm (vacuum) and laser injection along the magnetic field, the LIF signal exhibits a signal decrease at the Doppler shifted central wavelength. The drop in signal results from the finite optical depth of the plasma and the magnitude of the decrease is proportional to the density of excited state neutral atoms. Using Langmuir probe measurements of plasma density and electron temperature and a collisional-radiative model, the absolute ground state neutral density is calculated from the optical depth measurements. Optimal plasma performance, i.e., the largest neutral depletion on the axis of the system, is observed for antenna frequencies of 13.0 and 13.5 MHz and magnetic field strengths of 550-600 G.

Mixed state dynamical quantum phase transitions

NASA Astrophysics Data System (ADS)

Bhattacharya, Utso; Bandyopadhyay, Souvik; Dutta, Amit

2017-11-01

Preparing an integrable system in a mixed state described by a thermal density matrix, we subject it to a sudden quench and explore the subsequent unitary dynamics. To address the question of whether the nonanalyticities, namely, the dynamical quantum phase transitions (DQPTs), persist when the initial state is mixed, we consider two versions of the generalized Loschmidt overlap amplitude (GLOA). Our study shows that the GLOA constructed using the Uhlmann approach does not show any signature of DQPTs at any nonzero initial temperature. On the other hand, a GLOA defined in the interferometric phase approach through the purifications of the time-evolved density matrix, indeed shows that nonanalyiticies in the corresponding "dynamical free-energy density" persist, thereby establishing the existence of mixed state dynamical quantum phase transitions (MSDQPTs). Our work provides a framework that perfectly reproduces both the nonanalyticities and also the emergent topological structure in the pure state limit. These claims are corroborated by analyzing the nonequilibrium dynamics of a transverse Ising chain initially prepared in a thermal state and subjected to a sudden quench of the transverse field.

[Cynocephali and Blemmyae. Congenital anomalies and medieval exotic races].

PubMed

Bos, C A; Baljet, B

1999-12-18

In the mediaeval Dutch manuscript Der naturen bloeme ('On the flowers of nature') by Jacob van Maerlant (circa 1230-circa 1296), an encyclopaedia of descriptions of people, animals, plants and minerals dating from about 1270, many illustrations refer to the text. An intriguing part of the book is called 'Vreemde volkeren' ('Exotic people'). In another manuscript of Van Maerlant, Dit is die istory van Troyen ('The history of Troyes') in the chapter 'De wonderen van het Verre Oosten' ('The miracles of the Far East') the exotic people are also described. These exotic people have many features similar to congenital malformations. 'Hippopodes' are probably based on the lobster claw syndrome, 'Cynocephali' on anencephaly, 'Arimaspi' on cyclopia, 'Blemmyae' on acardiacus, the double-faced on diprosopus, 'Sciopods' on polydactyly and 'Antipodes' on the sirenomelia sequence.

International Symposium on Surface Interactions Held in Neve Ilan, (Jerusalem Hills), and Rehovot, Israel on March 13-18, 1988

DTIC Science & Technology

1988-01-01

LfEL Lfl EN tl.KTRI IO\\ SOT Ax F\\NT \\" M L L C T ’dl’L DEC 13 13 89m \\\\1 1 RIB TAWl IDiSIRMlLT 1;(\\ ST 1,l1’ 89 12 12 G- 0 \\ I FI RFUFI\\ ElD IN DI)T... M ,I,, I R 11:1) IFL W PIIOTO(,RAI’H TH[IS Sill. I I M ) I:N I I RN FO 1)1 h. FI)AC 0 T C71 O I%1\\ R (I-4I( H L LD) International Symposium N on...Ben-Shaul (Hebrew University, Jeruisalem) M . liahav (Weizmanu Instituite, Relovot) A. Marmur (Teclinion, Haifa) Z. Priel (Ben-Gurion University, Beer

Nonlinear density waves in planetary rings

NASA Technical Reports Server (NTRS)

Borderies, Nicole; Goldreich, Peter; Tremaine, Scott

1986-01-01

The steady-state structure of planetary rings in the presence of density waves at the Lindblad resonances of a satellite is indicated. The study is based on the dispersion relation and damping rate for nonlinear density waves, derived by Shu et al. (1985) and by Borderies, Goldreich, and Tremaine (1985). It is shown that strong density waves lead to an enhancement of the background surface density in the wave zone.

Quantum entanglement and spin control in silicon nanocrystal.

PubMed

Berec, Vesna

2012-01-01

Selective coherence control and electrically mediated exchange coupling of single electron spin between triplet and singlet states using numerically derived optimal control of proton pulses is demonstrated. We obtained spatial confinement below size of the Bohr radius for proton spin chain FWHM. Precise manipulation of individual spins and polarization of electron spin states are analyzed via proton induced emission and controlled population of energy shells in pure (29)Si nanocrystal. Entangled quantum states of channeled proton trajectories are mapped in transverse and angular phase space of (29)Si <100> axial channel alignment in order to avoid transversal excitations. Proton density and proton energy as impact parameter functions are characterized in single particle density matrix via discretization of diagonal and nearest off-diagonal elements. We combined high field and low densities (1 MeV/92 nm) to create inseparable quantum state by superimposing the hyperpolarizationed proton spin chain with electron spin of (29)Si. Quantum discretization of density of states (DOS) was performed by the Monte Carlo simulation method using numerical solutions of proton equations of motion. Distribution of gaussian coherent states is obtained by continuous modulation of individual spin phase and amplitude. Obtained results allow precise engineering and faithful mapping of spin states. This would provide the effective quantum key distribution (QKD) and transmission of quantum information over remote distances between quantum memory centers for scalable quantum communication network. Furthermore, obtained results give insights in application of channeled protons subatomic microscopy as a complete versatile scanning-probe system capable of both quantum engineering of charged particle states and characterization of quantum states below diffraction limit linear and in-depth resolution.PACS NUMBERS: 03.65.Ud, 03.67.Bg, 61.85.+p, 67.30.hj.

Investigation of the electronic structure in La1-xCaxCoO3 (x = 0, 0.5) using full potential calculations

NASA Astrophysics Data System (ADS)

Sahnoun, M.; Daul, C.; Haas, O.; Wokaun, A.

2005-12-01

The electronic and magnetic properties of both LaCoO3 and La0.5Ca0.5CoO3 have been investigated by means of ab initio full-potential augmented plane wave plus local orbitals (APW+lo) calculations carried out with the Wien 2k code. The functional used is the local-density approximation LDA +U. Doping with Ca2+ introduces holes into the Co-O network. We analyse the densities of states and we confirm that the intermediate state (IS) is stabilized by the Ca2+ substitution. This intermediate state in our results turns out to be metallic, and has a large density of states at the Fermi energy. The calculated magnetic moment in La0.5Ca0.5CoO3 is found to be in good agreement with experiment.

Generalized Pauli constraints in reduced density matrix functional theory.

PubMed

Theophilou, Iris; Lathiotakis, Nektarios N; Marques, Miguel A L; Helbig, Nicole

2015-04-21

Functionals of the one-body reduced density matrix (1-RDM) are routinely minimized under Coleman's ensemble N-representability conditions. Recently, the topic of pure-state N-representability conditions, also known as generalized Pauli constraints, received increased attention following the discovery of a systematic way to derive them for any number of electrons and any finite dimensionality of the Hilbert space. The target of this work is to assess the potential impact of the enforcement of the pure-state conditions on the results of reduced density-matrix functional theory calculations. In particular, we examine whether the standard minimization of typical 1-RDM functionals under the ensemble N-representability conditions violates the pure-state conditions for prototype 3-electron systems. We also enforce the pure-state conditions, in addition to the ensemble ones, for the same systems and functionals and compare the correlation energies and optimal occupation numbers with those obtained by the enforcement of the ensemble conditions alone.