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Sample records for energy non-high level

  1. Comparative study of non-high density lipoproteins cholesterol level and lipid profile in pre-diabetic and diabetic patients.

    PubMed

    Banu, Shaheena; Jabir, Nasimudeen R; Manjunath, Nanjappa C; Firoz, C K; Kamal, Mohammad A; Khan, Mohammad S; Tabrez, Shams

    2014-04-01

    The present study compares the role and significance of non-high density lipoproteins (non-HDL) cholesterol level in pre-diabetic and diabetic patients. This study also compares non-HDL cholesterol level between males and females and with different age groups as well. An observational study was conducted among 3830 randomly selected individuals to envisage the association of non-HDL cholesterol and other lipid parameters with age, gender, and diabetic status. On the basis of health status, the subjects were classified as diabetic, pre-diabetic and normal. Fasting blood samples were collected and analyzed on Roche p-800 modular system. Total cholesterol, high density lipoproteins (HDL), low density lipoproteins (LDL) and fasting triglycerides were also measured. From the above mentioned parameters, the level of non-HDL cholesterol level was also calculated. Significant association was observed with non-HDL cholesterol level and all other studied lipid parameters (total cholesterol, HDL, LDL and triglycerides) compared with age and gender of the subjects studied. Moreover, the calculated non-HDL level, total cholesterol and triglycerides were found to be significantly co-related with diabetic status of the patients involved in the study. However, HDL and LDL values did not show any significant association with diabetic status of the patients. In this study, we found that age and gender of the studied subjects are associated with non-HDL cholesterol. Moreover, our data clearly indicates the positive association of non-HDL cholesterol level with pre-diabetic and diabetic status of the patients. Based on our study, we recommend estimation of non-HDL level in routine clinical practice to differentiate pre-diabetic and diabetic patients.

  2. Non-high-density lipoprotein cholesterol (non-HDL-C) levels in children with nonalcoholic fatty liver disease (NAFLD).

    PubMed

    Alkhouri, Naim; Eng, Katharien; Lopez, Rocio; Nobili, Valerio

    2014-01-01

    Non-alcoholic fatty liver disease (NAFLD) is associated with increased cardiovascular disease (CVD) risk in children. Non-high density lipoprotein-cholesterol (non-HDL-C) has been shown to be a good predictor of cardiovascular events. Recent data in adults found non-alcoholic steatohepatitis (NASH) to be associated with significantly higher levels of non-HDL-C than simple steatosis, suggestive it might be used as a non-invasive tool to diagnose NASH. The goal of our study was to assess non-HDL-C levels in children with NAFLD. Our cohort consisted of pediatric patients with biopsy-proven NAFLD. Anthropometric, laboratory, and histologic data were obtained on all patients. Univariable analysis was performed to assess differences in clinical characteristics between groups. Spearman rank correlation coefficients were calculated to assess the correlation between non-HDL-C levels and clinical variables. ANCOVA was used to adjust for possible confounders. 302 subjects with NAFLD were included in our study; 203 with NASH and 99 without NASH. Subjects with NASH had significantly higher non-HDL-C levels than those without (p = 0.004). Histologic features of NASH, including ballooning, inflammation, and fibrosis were found to be weakly correlated with non-HDL-C levels, (p < 0.05 for all). After adjusting for the presence of metabolic syndrome (MetS), ALT, and GGT, the association between non-HDL-C and NASH was not significant (p = 0.66). In Conclusion, non-HDL-C levels are higher in children with NASH than those with simple steatosis, suggesting increased CVD risk. This may be a reflection of the higher prevalence of MetS. Non-HDL-C had a positive association with histologic features of NASH.

  3. [Prevalence of a high non-high-density lipoprotein cholesterol level in children aged 9-11 years in Mianyang Science City in Sichuan Province, China].

    PubMed

    Deng, Yi-Bin; Yu, Dan; Su, Qin; Wang, Hui-Min; Yin, Hua; Zhou, Zhao-Meng; He, Na; Liu, Dan

    2016-10-01

    To investigate the non-high-density lipoprotein cholesterol (non-HDL-C) level and the prevalence rate of a high non-HDL-C level in children aged 9-11 years in the Mianyang Science City area in Sichuan Province, China. From September to October, 2015, a field investigation was performed for the students from three primary schools in the Mianyang Science City area by cluster sampling. Fasting venous blood was collected for blood lipid tests. The cut-off value of serum non-HDL-C level and prevalence rate of a high non-HDL-C level in children aged 9-11 years in this area were calculated, as well as the prevalence rate of a high non-HDL-C level in obese children. In the children aged 9-11 years in this area, the cut-off value of non-HDL-C level was 3.67 mmol/L, and the prevalence rate of a high non-HDL-C level was 3.7% (22/589). Compared with the non-obese children, the obese children had a significantly higher serum non-HDL-C level (P<0.01) and a significantly higher prevalence rate of a high non-HDL-C level (10.0% vs 2.9%; P<0.01). The cut-off value of serum non-HDL-C level in children aged 9-11 years in the Mianyang Science City area is established. Obesity is associated with an increased prevalence rate of a high non-HDL-C level in children aged 9-11 years.

  4. A Proposal for the Optimal Management Target for Serum Non-High-Density Lipoprotein Cholesterol Level in Low-Risk Japanese Workers.

    PubMed

    Saiki, Yoshiyuki; Otsuka, Toshiaki; Kato, Katsuhito; Kawada, Tomoyuki

    2016-01-01

    The Japan Atherosclerosis Society Guidelines for the Diagnosis and Prevention of Atherosclerotic Cardiovascular Diseases 2012 (JAS Guidelines 2012) indicate that the management target for serum non-high-density lipoprotein cholesterol (non-HDLC) level is 30 mg/dL higher than that for low-density lipoprotein cholesterol (LDLC) level. However, it remains unclear whether this value is applicable to subjects at a low risk of cardiovascular disease. This study aimed to propose the optimal management target for serum non-HDLC level in low-risk Japanese subjects. Among 20,909 subjects who underwent annual medical checkup at a Japanese company in 2008, we analyzed the data of 17,023 subjects (14,352 men, mean age 37.8±8.6 years) in risk category I according to the JAS Guidelines 2012. The correlation between LDLC and non-HDLC levels was examined. A strong correlation was found between LDLC and non-HDLC levels (r=0.95, p<0.001). The following regression equation for calculation of non-HDLC was obtained from linear regression analysis: non-HDLC (mg/dL)=1.09×LDLC (mg/dL)+7.79. According to this equation, the optimal management target for non-HDLC level corresponding to that for LDLC level (160 mg/dL) was 180 mg/dL. A multiple logistic regression analysis revealed that age, obesity, habitual alcohol intake, and current smoking were significantly associated with non-HDLC ≥180 mg/dL. The management target for non-HDLC level is recommended to be set at 20 mg/dL higher than that for the LDLC level (i.e., 180 mg/dL) in low-risk Japanese subjects.

  5. Serum non-high-density lipoprotein cholesterol levels and the incidence of ischemic stroke in a Japanese population: the Jichi Medical School cohort study.

    PubMed

    Kakehi, Eiichi; Kotani, Kazuhiko; Ishikawa, Shizukiyo; Gotoh, Tadao; Kayaba, Kazunori; Nakamura, Yosikazu; Kajii, Eiji

    2015-03-01

    The predictive value of serum non-high-density lipoprotein cholesterol (non-HDL-C) levels for the incidence of ischemic stroke and its subtypes has not yet been established. The present cohort study investigated their relationships in a Japanese population. The first incidence of ischemic stroke and its subtypes was documented as the primary outcome. A total of 249 ischemic stroke patients (men/women = 145/104) were identified during a follow-up period of 10.7 years among 10 760 community-dwelling subjects (men/women = 4212/6548). Cox proportional hazard model analyses revealed that when compared with the lowest tertile of non-HDL-C, multivariate-adjusted hazard ratios for the highest tertile were 0.55 (95% confidence interval = 0.32-0.95, P = .03) on ischemic stroke and 0.29 (95% confidence interval = 0.08-1.05, P = .06) on cardioembolic infarction in women. Men did not show such significant relationships. Low serum non-HDL-C levels may be a predictive marker associated with an increase in the incidence of ischemic stroke and possibly of cardioembolic infarction in Japanese women.

  6. Non-high-density lipoprotein cholesterol target achievement in patients on lipid-lowering drugs and stratified by triglyceride levels in the Arabian Gulf.

    PubMed

    Al-Hashmi, Khamis; Al-Zakwani, Ibrahim; Al Mahmeed, Wael; Arafah, Mohammed; Al-Hinai, Ali T; Shehab, Abdullah; Al Tamimi, Omer; Al Awadhi, Mahmoud; Al Herz, Shorook; Al Anazi, Faisal; Al Nemer, Khalid; Metwally, Othman; Alkhadra, Akram; Fakhry, Mohammed; Elghetany, Hossam; Medani, Abdel Razak; Yusufali, Afzal Hussein; Al Jassim, Obaid; Al Hallaq, Omar; Baslaib, Fahad Omar Ahmed S; Amin, Haitham; Santos, Raul D; Al-Waili, Khalid; Al-Rasadi, Khalid

    2016-01-01

    Atherogenic dyslipidemia is highly prevalent in the Arabian Gulf. Non-high-density lipoprotein cholesterol (non-HDL-C) reduction has been proposed as an additional goal to low-density lipoprotein cholesterol (LDL-C) lowering to prevent atherosclerotic cardiovascular disease (ASCVD). Data on non-HDL-C goal attainment in patients with high triglycerides (TGs) on lipid-lowering drugs (LLDs) in the region is scarce. Evaluate non-HDL-C target attainment according to the National Lipid Association in patients on LLDs stratified by TG (<150 [1.69], 150-200 [1.69-2.26], >200 [2.26] mg/dL [mmol/L]) levels in the Arabian Gulf. Overall, 4383 patients on LLD treatment from 6 Middle Eastern countries participating in the Centralized Pan-Middle East Survey on the Undertreatment of Hypercholesterolemia study were evaluated. Patients were classified according to TG levels and ASCVD risk. The overall non-HDL-C goal attainment was 41% of the subjects. Non-HDL-C goal was less likely attained in patients with high TGs (12% vs 27% vs 55%; P < .001). Very high ASCVD risk patients with high TGs attained less their non-HDL-C targets compared with those with lower TG levels (8% vs 23% vs 51%; P < .001). Similarly, high ASCVD risk patients with high TGs also failed more in attaining non-HDL-C targets compared with those with lower TGs (26% vs 42% vs 69%; P < .001). In addition, those with high TG also succeeded less in attaining LDL-C and apolipoprotein B goals (P < .001). A large proportion of very high and high ASCVD patients on LLDs in the Arabian Gulf are not at recommended non-HDL-C targets and hence remain at a substantial residual risk. Copyright © 2016 National Lipid Association. Published by Elsevier Inc. All rights reserved.

  7. Energy levels of bilayer graphene quantum dots

    NASA Astrophysics Data System (ADS)

    da Costa, D. R.; Zarenia, M.; Chaves, Andrey; Farias, G. A.; Peeters, F. M.

    2015-09-01

    Within a tight binding approach we investigate the energy levels of hexagonal and triangular bilayer graphene (BLG) quantum dots (QDs) with zigzag and armchair edges. We study AA- and AB- (Bernal) stacked BLG QDs and obtain the energy levels in both the absence and the presence of a perpendicular electric field (i.e., biased BLG QDs). Our results show that the size dependence of the energy levels is different from that of monolayer graphene QDs. The energy spectrum of AB-stacked BLG QDs with zigzag edges exhibits edge states which spread out into the opened energy gap in the presence of a perpendicular electric field. We found that the behavior of these edges states is different for the hexagonal and triangular geometries. In the case of AA-stacked BLG QDs, the electron and hole energy levels cross each other in both cases of armchair and zigzag edges as the dot size or the applied bias increases.

  8. State-Level Benefits of Energy Efficiency

    SciTech Connect

    Tonn, Bruce Edward

    2007-02-01

    This report describes benefits attributable to state-level energy efficiency programs. Nationwide, state-level energy efficiency programs have targeted all sectors of the economy and have employed a wide range of methods to promote energy efficiency. Standard residential and industrial programs typically identify between 20 to 30% energy savings in homes and plants, respectively. Over a 20 year period of time, an average state that aggressively pursues even a limited array of energy efficiency programs can potentially reduce total state energy use by as much as 20%. Benefit-cost ratios of effective energy efficiency programs typically exceed 3 to 1 and are much higher when non-energy and macroeconomic benefits are included. Indeed, energy efficiency and associated programs and investments can create significant numbers of new jobs and enhance state tax revenues. Several states have incorporated energy efficiency into their economic development programs. It should also be noted that increasing amounts of venture capital are being invested in the energy sector in general and in specific technologies like solar power in particular. Well-designed energy efficiency programs can be expected to help overcome numerous barriers to the market penetration of energy efficient technologies and accelerate the market penetration of the technologies.

  9. Energy Levels of Hydrogen and Deuterium

    National Institute of Standards and Technology Data Gateway

    SRD 142 Energy Levels of Hydrogen and Deuterium (Web, free access)   This database provides theoretical values of energy levels of hydrogen and deuterium for principle quantum numbers n = 1 to 200 and all allowed orbital angular momenta l and total angular momenta j. The values are based on current knowledge of the revelant theoretical contributions including relativistic, quantum electrodynamic, recoil, and nuclear size effects.

  10. Low total, low-density lipoprotein, high-density lipoprotein, and non-high-density lipoprotein cholesterol levels in patients with complex congenital heart disease after Fontan palliation.

    PubMed

    Whiteside, Wendy; Tan, Meng; Yu, Sunkyung; Rocchini, Albert

    2013-06-01

    To test the hypothesis that patients with complex congenital heart disease who have undergone Fontan palliation have low total cholesterol, low-density lipoprotein cholesterol (LDL-C), and high-density lipoprotein cholesterol (HDL-C) levels. We retrospectively reviewed the random serum lipid profiles obtained at cardiology clinic visits between May 2010 and November 2011 in patients who had undergone the Fontan procedure. We compared these serum lipid levels against age- and sex-matched established normal data from the Third National Health and Nutrition Examination Survey. Eighty-eight patients who had undergone the Fontan procedure also had laboratory test data obtained during their visits. Median total cholesterol level in the Fontan group was 127 mg/dL (IQR, 116-144 mg/dL), median HDL-C was 40 mg/dL (IQR, 33-45 mg/dL), median non-HDL-C was 86 mg/dL (IQR, 76-109 mg/dL), and median LDL-C was 66 mg/dL (IQR, 57-83 mg/dL). Total cholesterol, LDL-C, non-HDL-C, and HDL-C levels were significantly lower in patients who had undergone a Fontan procedure compared with age- and sex-matched normal individuals (mean z-score, -1.4, -1.2, -1.0, and -1.0 respectively; all P<.0001). Cholesterol levels were below the 25th percentile for age and sex for total cholesterol in 82% of patients, for LDL-C in 76%, for non-HDL-C in 67%, and for HDL-C in 57%. Patients who have undergone the Fontan procedure have significantly lower serum total cholesterol, LDL-C, HDL-C and non-HDL-C levels than age- and sex-matched normal individuals. Although the implications of this finding are unknown, it raises the possibility of abnormalities in cholesterol absorption, synthesis, or catabolism in this patient population. Copyright © 2013 Mosby, Inc. All rights reserved.

  11. Mapping Energy Levels for Organic Heterojunctions.

    PubMed

    Li, Yiying; Li, Peicheng; Lu, Zheng-Hong

    2017-06-01

    An organic semiconductor thin film is a solid-state matter comprising one or more molecules. For applications in electronics and photonics, several distinct functional organic thin films are stacked together to create a variety of devices such as organic light-emitting diodes and organic solar cells. The energy levels at these thin-film junctions dictate various electronic processes such as the charge transport across these junctions, the exciton dissociation rates at donor-acceptor molecular interfaces, and the charge trapping during exciton formation in a host-dopant system. These electronic processes are vital to a device's performance and functionality. To uncover a general scientific principle in governing the interface energy levels, highest occupied molecular orbitals, and vacuum level dipoles, herein a comprehensive experimental research is conducted on several dozens of organic-organic heterojunctions representative of various device applications. It is found that the experimental data map on interface energy levels, after correcting variables such as molecular orientation-dependent ionization energies, consists of three distinct regions depending on interface fundamental physical parameters such as Fermi energy, work function, highest occupied molecular orbitals, and lowest unoccupied molecular orbitals. This general energy map provides a master guide in selection of new materials for fabricating future generations of organic semiconductor devices. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Vibrational energy levels of CH5+

    NASA Astrophysics Data System (ADS)

    Wang, Xiao-Gang; Carrington, Tucker

    2008-12-01

    We present a parallelized contracted basis-iterative method for calculating numerically exact vibrational energy levels of CH5+ (a 12-dimensional calculation). We use Radau polyspherical coordinates and basis functions that are products of eigenfunctions of bend and stretch Hamiltonians. The bend eigenfunctions are computed in a nondirect product basis with more than 200×106 functions and the stretch functions are computed in a product potential optimized discrete variable basis. The basis functions have amplitude in all of the 120 equivalent minima. Many low-lying levels are well converged. We find that the energy level pattern is determined in part by the curvature and width of the valley connecting the minima and in part by the slope of the walls of this valley but does not depend on the height or shape of the barriers separating the minima.

  13. Fermi level stabilization energy in cadmium oxide

    SciTech Connect

    Speaks, D. T.; Mayer, M. A.; Yu, K. M.; Mao, S. S.; Haller, E. E.; Walukiewicz, W.

    2010-04-08

    We have studied the effects of high concentrations of native point defects on the electrical and optical properties of CdO. The defects were introduced by irradiation with high energy He+, Ne+, Ar+ and C+ ions. Increasing the irradiation damage with particles heavier than He+ increases the electron concentration until a saturation level of 5x1020 cm-3 is reached. In contrast, due to the ionic character and hence strong dynamic annealing of CdO, irradiation with much lighter He+ stabilizes the electron concentration at a much lower level of 1.7x1020 cm-3. A large shift of the optical absorption edge with increasing electron concentration in irradiated samples is explained by the Burstein-Moss shift corrected for electron-electron and electron-ion interactions. The saturation of the electron concentration and the optical absorption edge energy are consistent with a defect induced stabilization of the Fermi energy at 1 eV above the conduction band edge. The result is in a good agreement with previously determined Fermi level pinning energies on CdO surfaces. The results indicate that CdO shares many similarities with InN, as both materials exhibit extremely large electron affinities and an unprecedented propensity for n-type conductivity.

  14. Spectrum and energy levels of Mo VI

    NASA Astrophysics Data System (ADS)

    Reader, Joseph

    1998-05-01

    We have photographed the spectrum of the Rb-like ion Mo VI from 200 to 5300 Å with a sliding-spark discharge on our 10.7-m normal- and grazing-incidence spectrographs and have observed most of the yrast transitions given by Romanov et al.(N. P. Romanov and A. R. Striganov, Opt. Spectrosc. 27), 8 (1969). from a Penning discharge. We have obtained improved values for all of the energy levels. We confirm the odd levels of Kancerevicius et al.,(A. Kancerevicius et al.), Lithuanian Phys. J. 31, 143 (1991). but have revised a number of the even levels of Edlén et al.(B. Edlén et al.), Phys. Scr. 32, 215 (1985). The ionization energy of Edlén et al.,footnotemark[4] which had been called into question by Kancerevicius et al.footnotemark[3] as a result of their revision of the odd levels,footnotemark[4] is confirmed.

  15. Nonequivalent lanthanide defects: Energy level modeling

    NASA Astrophysics Data System (ADS)

    Joos, Jonas J.; Poelman, Dirk; Smet, Philippe F.

    2016-11-01

    Empirical charge-state transition level schemes are popular tools to model the properties of lanthanide-doped materials and their construction has become standard practice. Typically, it is implicitly assumed that all lanthanide ions form isostructural defects. However, in practice, multiple nonequivalent defects related to the same lanthanide can occur or different lanthanides can even incorporate in different ways. The consequences of these complications on the impurity energy levels are discussed in this article. It seems that small structural differences around the lanthanide dopant can give rise to important spectral differences in its emission. These are not always clearly reproduced by the charge-state transition level schemes. Improvements to the existing procedure are suggested and applied to the lanthanide ions in the well-studied host crystals SrAl2O4, Sr2Si5N8 and SrGa2S4.

  16. Energy-level alignment at organic heterointerfaces

    PubMed Central

    Oehzelt, Martin; Akaike, Kouki; Koch, Norbert; Heimel, Georg

    2015-01-01

    Today’s champion organic (opto-)electronic devices comprise an ever-increasing number of different organic-semiconductor layers. The functionality of these complex heterostructures largely derives from the relative alignment of the frontier molecular-orbital energies in each layer with respect to those in all others. Despite the technological relevance of the energy-level alignment at organic heterointerfaces, and despite continued scientific interest, a reliable model that can quantitatively predict the full range of phenomena observed at such interfaces is notably absent. We identify the limitations of previous attempts to formulate such a model and highlight inconsistencies in the interpretation of the experimental data they were based on. We then develop a theoretical framework, which we demonstrate to accurately reproduce experiment. Applying this theory, a comprehensive overview of all possible energy-level alignment scenarios that can be encountered at organic heterojunctions is finally given. These results will help focus future efforts on developing functional organic interfaces for superior device performance. PMID:26702447

  17. The vibrational energy levels of ammonia

    NASA Astrophysics Data System (ADS)

    Handy, Nicholas C.

    1999-02-01

    A variational 6-dimensional method is used to determine the low lying vibrational energy levels of ammonia. The six internal coordinates were chosen to be appropriate for the symmetry and inversion motion of the molecule; they were the three NH bond lengths, r1,r2,r3, the unique angle beta which each bond makes with the trisector of them, and two (of the three) angles, theta2 and theta3, between the bonds when projected on to a plane perpendicular to the trisector. The Wilson G matrix was determined for these internal coordinates both by computer algebra and by hand. An appropriate Jacobian for the motion was determined and the full Hermitian kinetic energy operator was obtained using the Podolsky transformation. Expansion functions were in the usual product form. Special attention was given to the , theta2,theta3 expansion functions so that appropriate A1,A2 and E symmetry vibrational modes were obtained explicitly. Matrix elements of the kinetic energy operator were expressed in terms of one-dimensional integrals. Variational calculations have been performed with two six-dimensional surfaces: (i) that due to Martin, Lee and Taylor; and (ii) that due to Spirko and Kraemer. Although some of the vibrational levels for both surfaces are accurate, both have inadequacies: (a) because it is a Taylor expansion about an equilibrium, based on ab initio calculations, with no attention paid to planarity; and (b) because the non-inversion part of the surface was treated perturbatively in its derivation, and in fact some of the quartic displacement powers have negative coefficients. Therefore, neither surface gave good results overall, and there is a need for a refined 6 dimensional NH surface.

  18. Matching renewable energy systems to village-level energy needs

    SciTech Connect

    Ashworth, J.H.; Neuendorffer, J.W.

    1980-06-01

    This report provides a five step process for matching alternative renewable energy technologies with energy needs in rural villages of developing countries. Analytic tools are given for each of the five steps as well as information that can be expected. Twelve characterization criteria are developed to assist in the matching process. Three of these criteria, called discrimination criteria, are used for preliminary screening of technology possibilities for each need. The other criteria address site-specific temporal, climatic, social, cultural, and environmental characteristics of the energy need, technology, and cost considerations. To illustrate the matching process, seven basic human needs for energy are matched with seven potential renewable energy technologies. The final portion of the paper discusses the advantages of such a matching process and the resources required to initiate such an effort within a development project. Specific recommendations are given for field-testing this process and actions that could be taken immediately in basic research and development, applied research and technology modification, demonstrations, and commercialization to assist in the future diffusion of renewable energy technologies to rural areas of developing countries.

  19. Energy Levels of 'Hydrogen Atom' in Discrete Time Dynamics

    SciTech Connect

    Khrennikov, Andrei; Volovich, Yaroslav

    2006-01-04

    We analyze dynamical consequences of a conjecture that there exists a fundamental (indivisible) quant of time. In particular we study the problem of discrete energy levels of hydrogen atom. We are able to reconstruct potential which in discrete time formalism leads to energy levels of unperturbed hydrogen atom. We also consider linear energy levels of quantum harmonic oscillator and show how they are produced in the discrete time formalism. More generally, we show that in discrete time formalism finite motion in central potential leads to discrete energy spectrum, the property which is common for quantum mechanical theory. Thus deterministic (but discrete time{exclamation_point}) dynamics is compatible with discrete energy levels.

  20. Hardee County Energy Activities - Middle School Level.

    ERIC Educational Resources Information Center

    Allen, Rodney F., Ed.

    Described are over 70 activities designed to help students develop writing skills by examining energy issues. Intended for middle school students, the lessons were developed by Hardee County, Florida teachers. Learning strategies employed include class discussions, analogies, word puzzles, letter writing, sentence completions, vocabulary building…

  1. Ground Levels and Ionization Energies for the Neutral Atoms

    National Institute of Standards and Technology Data Gateway

    SRD 111 Ground Levels and Ionization Energies for the Neutral Atoms (Web, free access)   Data for ground state electron configurations and ionization energies for the neutral atoms (Z = 1-104) including references.

  2. ORNL takes energy-efficient housing to a new level

    SciTech Connect

    2008-12-19

    Oak Ridge National Laboratory, TVA and the Department of Energy are taking energy-saving research into a West Knox County neighborhood. In the Campbell Creek subdivision, ORNL researchers have helped builders to construct three homes with three different levels of energy-saving features.

  3. ORNL takes energy-efficient housing to a new level

    ScienceCinema

    None

    2016-07-12

    Oak Ridge National Laboratory, TVA and the Department of Energy are taking energy-saving research into a West Knox County neighborhood. In the Campbell Creek subdivision, ORNL researchers have helped builders to construct three homes with three different levels of energy-saving features.

  4. Sleep, brain energy levels, and food intake

    PubMed Central

    Dworak, M.; Kim, T.; McCarley, R.W.; Basheer, R.

    2013-01-01

    Background The feeling of hunger and feeding, a wake–state-dependent behavior, is regulated by specific centers within the hypothalamus. While paraventricular nucleus (PVN), arcuate nucleus (ARC), and dorso- and ventromedial hypothalamus (DMH/VMH) regulate feeding, the lateral hypothalamus (LH) is associated both with feeding and wake/REM sleep regulation. In order to examine the effects of sleep and wakefulness on food intake and body weight, we also measured hypothalamic ATP concentrations, which are known to be involved in feeding behavior and sleep–wake regulation. Methods In rats, food intake and body weight was measured during a 24-h light–dark cycle and during 6 h of sleep deprivation (SD) performed by gentle handling. Tissue samples from the PVN, ARC/DMH/VMH, and LH were collected after 6 h of SD and from time-matched diurnal controls. ATP was measured by luciferin-luciferase bioluminescence assay. Results Across the 24-h light–dark period, rats consumed approximately 28.13±4.48 g of food and gained 5.22±1.65 g with a positive correlation between food intake and body weight. During SD, while food intake increased significantly +147.31±6.13%, they lost weight significantly (–93.29±13.64%) when compared to undisturbed controls. SD resulted in a significant decrease in ATP levels only in LH (–44.60±21.13%) with no change in PVN, ARC/DMH/VMH region when compared with undisturbed controls. Conclusion The results indicate a strong overall correlation between ATP concentrations in the LH and individual food intake and suggest a sleep–wake dependent neuronal control of food intake and body weight. PMID:23585726

  5. Levelized Cost and Levelized Avoided Cost of New Generation Resources in the Annual Energy Outlook

    EIA Publications

    2016-01-01

    This paper presents average values of levelized costs for generating technologies entering service in 2018, 2022, and 2040 as represented in the National Energy Modeling System (NEMS) for the Annual Energy Outlook 2016 (AEO2016) Reference case.

  6. Levelized Cost and Levelized Avoided Cost of New Generation Resources in the Annual Energy Outlook

    EIA Publications

    2017-01-01

    This paper presents average values of levelized costs for generating technologies entering service in 2019, 2022, and 2040 as represented in the National Energy Modeling System (NEMS) for the Annual Energy Outlook 2017 (AEO2017) Reference case.

  7. Calculation of Rydberg energy levels for the francium atom

    NASA Astrophysics Data System (ADS)

    Huang, Shi-Zhong; Chu, Jin-Min

    2010-06-01

    Based on the weakest bound electron potential model theory, the Rydberg energy levels and quantum defects of the np2Po1/2 (n = 7-50) and np2Po3/2 (n = 7-50) spectrum series for the francium atom are calculated. The calculated results are in excellent agreement with the 48 measured levels, and 40 energy levels for highly excited states are predicted.

  8. How to Draw Energy Level Diagrams in Excitonic Solar Cells.

    PubMed

    Zhu, X-Y

    2014-07-03

    Emerging photovoltaic devices based on molecular and nanomaterials are mostly excitonic in nature. The initial absorption of a photon in these materials creates an exciton that can subsequently dissociate in each material or at their interfaces to give charge carriers. Any attempt at mechanistic understanding of excitonic solar cells must start with drawing energy level diagrams. This seemingly elementary exercise, which is described in textbooks for inorganic solar cells, has turned out to be a difficult subject in the literature. The problem stems from conceptual confusion of single-particle energy with quasi-particle energy and the misleading practice of mixing the two on the same energy level diagram. Here, I discuss how to draw physically accurate energy diagrams in excitonic solar cells using only single-particle energies (ionization potentials and electron affinities) of both ground and optically excited states. I will briefly discuss current understanding on the electronic energy landscape responsible for efficient charge separation in excitonic solar cells.

  9. Energy level statistics of a critical random matrix ensemble

    NASA Astrophysics Data System (ADS)

    Ndawana, Macleans L.; Kravtsov, Vladimir E.

    2003-03-01

    We study energy level statistics of a critical random matrix ensemble of power-law banded complex Hermitian matrices. We compute the level compressibility via the level-number variance and compare it with the analytical formula for the exactly solvable model of Moshe, Neuberger and Shapiro.

  10. Efficiencies of thermodynamics when temperature-dependent energy levels exist.

    PubMed

    Yamano, Takuya

    2016-03-14

    Based on a generalized form of the second law of thermodynamics, in which the temperature-dependent energy levels of a system are appropriately included in entropy generation, we show that the effect reasonably appears in efficiencies of thermodynamic processes.

  11. Housing Electrons: Relating Quantum Numbers, Energy Levels, and Electron Configurations.

    ERIC Educational Resources Information Center

    Garofalo, Anthony

    1997-01-01

    Presents an activity that combines the concepts of quantum numbers and probability locations, energy levels, and electron configurations in a concrete, hands-on way. Uses model houses constructed out of foam board and colored beads to represent electrons. (JRH)

  12. "Piekara's Chair": Mechanical Model for Atomic Energy Levels.

    ERIC Educational Resources Information Center

    Golab-Meyer, Zofia

    1991-01-01

    Uses the teaching method of models or analogies, specifically the model called "Piekara's chair," to show how teaching classical mechanics can familiarize students with the notion of energy levels in atomic physics. (MDH)

  13. "Piekara's Chair": Mechanical Model for Atomic Energy Levels.

    ERIC Educational Resources Information Center

    Golab-Meyer, Zofia

    1991-01-01

    Uses the teaching method of models or analogies, specifically the model called "Piekara's chair," to show how teaching classical mechanics can familiarize students with the notion of energy levels in atomic physics. (MDH)

  14. Classification of Cm i energy levels using counterpropagation neural networks

    NASA Astrophysics Data System (ADS)

    Peterson, Keith L.

    1990-03-01

    Two different types of counterpropagation neural networks are applied to the problem of classifying unknown Cm i energy levels. Four features-energy level, angular momentum, g factor, and isotope shift-are used to describe each level. One type of network is trained at the 100% level, while the other type is trained in excess of 96%. Performance on test sets is not as good, ranging from 81.2% to 93.7%. These results equal or surpass pattern recognition results obtained in an earlier study. Classifications for 12 odd-parity unknowns and 42 even-parity unknowns are also obtained and compared with the previous pattern recognition predictions.

  15. Temperature dependent energy levels of methylammonium lead iodide perovskite

    SciTech Connect

    Foley, Benjamin J.; Marlowe, Daniel L.; Choi, Joshua J. E-mail: mgupta@virginia.edu; Sun, Keye; Gupta, Mool C. E-mail: mgupta@virginia.edu; Saidi, Wissam A.; Scudiero, Louis E-mail: mgupta@virginia.edu

    2015-06-15

    Temperature dependent energy levels of methylammonium lead iodide are investigated using a combination of ultraviolet photoemission spectroscopy and optical spectroscopy. Our results show that the valence band maximum and conduction band minimum shift down in energy by 110 meV and 77 meV as temperature increases from 28 °C to 85 °C. Density functional theory calculations using slab structures show that the decreased orbital splitting due to thermal expansion is a major contribution to the experimentally observed shift in energy levels. Our results have implications for solar cell performance under operating conditions with continued sunlight exposure and increased temperature.

  16. Energy index decomposition methodology at the plant level

    NASA Astrophysics Data System (ADS)

    Kumphai, Wisit

    Scope and method of study. The dissertation explores the use of a high level energy intensity index as a facility-level energy performance monitoring indicator with a goal of developing a methodology for an economically based energy performance monitoring system that incorporates production information. The performance measure closely monitors energy usage, production quantity, and product mix and determines the production efficiency as a part of an ongoing process that would enable facility managers to keep track of and, in the future, be able to predict when to perform a recommissioning process. The study focuses on the use of the index decomposition methodology and explored several high level (industry, sector, and country levels) energy utilization indexes, namely, Additive Log Mean Divisia, Multiplicative Log Mean Divisia, and Additive Refined Laspeyres. One level of index decomposition is performed. The indexes are decomposed into Intensity and Product mix effects. These indexes are tested on a flow shop brick manufacturing plant model in three different climates in the United States. The indexes obtained are analyzed by fitting an ARIMA model and testing for dependency between the two decomposed indexes. Findings and conclusions. The results concluded that the Additive Refined Laspeyres index decomposition methodology is suitable to use on a flow shop, non air conditioned production environment as an energy performance monitoring indicator. It is likely that this research can be further expanded in to predicting when to perform a recommissioning process.

  17. Examining the energy cost and intensity level of prenatal yoga.

    PubMed

    Peters, Nathan Anthony; Schlaff, Rebecca A

    2016-01-01

    A popular form of pregnancy physical activity (PA) is prenatal yoga. However, little is known about the intensity and energy cost of this practice. To examine the energy cost and intensity level of prenatal yoga. Pregnant women in a prenatal yoga class (n = 19) wore a Sense Wear Armband during eleven 60 min classes each, and self-reported demographic variables, height and weight, prepregnancy weight, and PA behaviors and beliefs. Sense Wear Armband data included kilocalories, metabolic equivalent (MET) values, and time spent in various intensities. Descriptive statistics and frequencies were utilized to describe energy expenditure and intensity. Energy expenditure averaged 109 ± 8 kcals, and the average MET value was 1.5 ± 0.02. On average, 93% and 7% of classes were sedentary and moderate intensity PA, respectively. Time spent in a prenatal yoga class was considered to be primarily a sedentary activity. Future research should utilize larger samples, practice type, and skill level to increase generalizability.

  18. Energy level transitions of gas in a 2D nanopore

    SciTech Connect

    Grinyaev, Yurii V.; Chertova, Nadezhda V.; Psakhie, Sergei G.

    2015-10-27

    An analytical study of gas behavior in a 2D nanopore was performed. It is shown that the temperature dependence of gas energy can be stepwise due to transitions from one size-quantized subband to another. Taking into account quantum size effects results in energy level transitions governed by the nanopore size, temperature and gas density. This effect leads to an abrupt change of gas heat capacity in the nanopore at the above varying system parameters.

  19. Study of the crossing of quasi-energy levels in a four-level system

    SciTech Connect

    Arushanyan, S; Melikyan, A; Saakyan, S

    2011-05-31

    It was shown previously that in taking into account only dipole transitions, the crossing of quasi-energy levels is possible in the system if any of the transitions forms a closed loop. It followed herefrom that for the analysis of the crossing conditions, it is necessary to consider a system which has at least four levels. In this paper we show that we can uniquely specify which quasi-energy levels cross at the given values of the parameters of the atomic system and radiation field, without solving an algebraic quartic equation. It was found that the most suitable system for the implementation of the crossing is the group of energy levels {sup 5}S{sub 1/2}, {sup 5}P{sub 1/2}, {sup 5}P{sub 3/2} and {sup 5}D{sub 3/2} of a rubidium atom. The performed calculations of the laser field intensity and frequency values at which crossing takes place in this system show that they are easily attainable. It turned out that in this system there occur crossing of quasi-energy levels corresponding to the excited atomic levels. (intersection of quasi-energy levels)

  20. Energy levels of hybrid monolayer-bilayer graphene quantum dots

    NASA Astrophysics Data System (ADS)

    Mirzakhani, M.; Zarenia, M.; Ketabi, S. A.; da Costa, D. R.; Peeters, F. M.

    2016-04-01

    Often real samples of graphene consist of islands of both monolayer and bilayer graphene. Bound states in such hybrid quantum dots are investigated for (i) a circular single-layer graphene quantum dot surrounded by an infinite bilayer graphene sheet and (ii) a circular bilayer graphene quantum dot surrounded by an infinite single-layer graphene. Using the continuum model and applying zigzag boundary conditions at the single-layer-bilayer graphene interface, we obtain analytical results for the energy levels and the corresponding wave spinors. Their dependence on perpendicular magnetic and electric fields are studied for both types of quantum dots. The energy levels exhibit characteristics of interface states, and we find anticrossings and closing of the energy gap in the presence of a bias potential.

  1. Degeneracy of energy levels of pseudo-Gaussian oscillators

    SciTech Connect

    Iacob, Theodor-Felix; Iacob, Felix; Lute, Marina

    2015-12-07

    We study the main features of the isotropic radial pseudo-Gaussian oscillators spectral properties. This study is made upon the energy levels degeneracy with respect to orbital angular momentum quantum number. In a previous work [6] we have shown that the pseudo-Gaussian oscillators belong to the class of quasi-exactly solvable models and an exact solution has been found.

  2. Levelized cost of energy for a Backward Bent Duct Buoy

    DOE PAGES

    Bull, Diana; Jenne, D. Scott; Smith, Christopher S.; ...

    2016-07-18

    The Reference Model Project, supported by the U.S. Department of Energy, was developed to provide publicly available technical and economic benchmarks for a variety of marine energy converters. The methodology to achieve these benchmarks is to develop public domain designs that incorporate power performance estimates, structural models, anchor and mooring designs, power conversion chain designs, and estimates of the operations and maintenance, installation, and environmental permitting required. The reference model designs are intended to be conservative, robust, and experimentally verified. The Backward Bent Duct Buoy (BBDB) presented in this paper is one of three wave energy conversion devices studied withinmore » the Reference Model Project. Furthermore, comprehensive modeling of the BBDB in a Northern California climate has enabled a full levelized cost of energy (LCOE) analysis to be completed on this device.« less

  3. Levelized cost of energy for a Backward Bent Duct Buoy

    SciTech Connect

    Bull, Diana; Jenne, D. Scott; Smith, Christopher S.; Copping, Andrea E.; Copeland, Guild

    2016-12-01

    The Reference Model Project, supported by the U.S. Department of Energy, was developed to provide publically available technical and economic benchmarks for a variety of marine energy converters. The methodology to achieve these benchmarks is to develop public domain designs that incorporate power performance estimates, structural models, anchor and mooring designs, power conversion chain designs, and estimates of the operations and maintenance, installation, and environmental permitting required. The reference model designs are intended to be conservative, robust, and experimentally verified. The Backward Bent Duct Buoy (BBDB) presented in this paper is one of three wave energy conversion devices studied within the Reference Model Project. Comprehensive modeling of the BBDB in a Northern California climate has enabled a full levelized cost of energy (LCOE) analysis to be completed on this device.

  4. Levelized cost of energy for a Backward Bent Duct Buoy

    SciTech Connect

    Bull, Diana; Jenne, D. Scott; Smith, Christopher S.; Copping, Andrea E.; Copeland, Guild

    2016-07-18

    The Reference Model Project, supported by the U.S. Department of Energy, was developed to provide publicly available technical and economic benchmarks for a variety of marine energy converters. The methodology to achieve these benchmarks is to develop public domain designs that incorporate power performance estimates, structural models, anchor and mooring designs, power conversion chain designs, and estimates of the operations and maintenance, installation, and environmental permitting required. The reference model designs are intended to be conservative, robust, and experimentally verified. The Backward Bent Duct Buoy (BBDB) presented in this paper is one of three wave energy conversion devices studied within the Reference Model Project. Furthermore, comprehensive modeling of the BBDB in a Northern California climate has enabled a full levelized cost of energy (LCOE) analysis to be completed on this device.

  5. Levelized cost of energy for a Backward Bent Duct Buoy

    SciTech Connect

    Bull, Diana; Jenne, D. Scott; Smith, Christopher S.; Copping, Andrea E.; Copeland, Guild

    2016-07-18

    The Reference Model Project, supported by the U.S. Department of Energy, was developed to provide publicly available technical and economic benchmarks for a variety of marine energy converters. The methodology to achieve these benchmarks is to develop public domain designs that incorporate power performance estimates, structural models, anchor and mooring designs, power conversion chain designs, and estimates of the operations and maintenance, installation, and environmental permitting required. The reference model designs are intended to be conservative, robust, and experimentally verified. The Backward Bent Duct Buoy (BBDB) presented in this paper is one of three wave energy conversion devices studied within the Reference Model Project. Furthermore, comprehensive modeling of the BBDB in a Northern California climate has enabled a full levelized cost of energy (LCOE) analysis to be completed on this device.

  6. Energy balance regulation by thyroid hormones at central level.

    PubMed

    López, Miguel; Alvarez, Clara V; Nogueiras, Rubén; Diéguez, Carlos

    2013-07-01

    Classically, medical textbooks taught that most effects of thyroid hormones (THs) on energy homeostasis are directly exerted in peripheral tissues. However, current evidence is changing (and challenging) our perspective about the role of THs from a 'peripheral' to a 'central' vision, implying that they affect food intake, energy expenditure, and metabolism by acting, to a large extent, at the central level. Interestingly, effects of THs are interrelated with global energy sensors in the central nervous system (CNS), such as uncoupling protein 2 (UCP2), AMP-activated protein kinase (AMPK; the 'AMPK-BAT axis'), and mechanistic target of rapamycin (mTOR). Here, we review what is currently known about THs and their regulation of energy balance and metabolism in both peripheral and central tissues.

  7. Energy levels of double triangular graphene quantum dots

    SciTech Connect

    Liang, F. X.; Jiang, Z. T. Zhang, H. Y.; Li, S.; Lv, Z. T.

    2014-09-28

    We investigate theoretically the energy levels of the coupled double triangular graphene quantum dots (GQDs) based on the tight-binding Hamiltonian model. The double GQDs including the ZZ-type, ZA-type, and AA-type GQDs with the two GQDs having the zigzag or armchair boundaries can be coupled together via different interdot connections, such as the direct coupling, the chains of benzene rings, and those of carbon atoms. It is shown that the energy spectrum of the coupled double GQDs is the amalgamation of those spectra of the corresponding two isolated GQDs with the modification triggered by the interdot connections. The interdot connection is inclined to lift up the degeneracies of the energy levels in different degree, and as the connection changes from the direct coupling to the long chains, the removal of energy degeneracies is suppressed in ZZ-type and AA-type double GQDs, which indicates that the two coupled GQDs are inclined to become decoupled. Then we consider the influences on the spectra of the coupled double GQDs induced by the electric fields applied on the GQDs or the connection, which manifests as the global spectrum redistribution or the local energy level shift. Finally, we study the symmetrical and asymmetrical energy spectra of the double GQDs caused by the substrates supporting the two GQDs, clearly demonstrating how the substrates affect the double GQDs' spectrum. This research elucidates the energy spectra of the coupled double GQDs, as well as the mechanics of manipulating them by the electric field and the substrates, which would be a significant reference for designing GQD-based devices.

  8. Self-energy shift of the energy levels of atomic hydrogen in photonic crystal medium

    NASA Astrophysics Data System (ADS)

    Gainutdinov, R. Kh; Khamadeev, M. A.; Steryakov, O. V.; Ziyatdinova, K. A.; Salakhov, M. Kh

    2016-05-01

    Corrections to the average kinetic energy of atomic electrons caused by the change in electron mass in the photonic crystal medium are investigated. Corresponding shift of energy levels of atoms placed in a photonic crystal is shown to be of order of the ordinary Lamb shift.

  9. Mo uc(v) Energy Levels and f values

    NASA Astrophysics Data System (ADS)

    Pan, Lin; Beck, Donald R.

    2004-05-01

    Relativistic Configuration Interaction (RCI) calculations have been done for the lowest 12 J=0 even parity levels, and the lowest 30 J=1 odd parity levels of Mo uc(v.) For the J=0 4d^2 and 4d 5d energy differences, the average error is 229 cm-1 ( M. I. Cabeza, F. G. Meijer, and L. Iglesias, Phys. Scr. 34), 223 (1986). For the other J=0 levels, the average difference with experiment (A. Tauheed, M. S. Z. Chaghtai, and K. Rahimullah, Phys. Scr. 31), 369 (1985) is considerably greater. Our average energy errors for the 11 known ^2 J=1 levels is 233 cm-1, excluding the 5s 5p ^1 P level, which is 1580 cm-1 higher than observed ^2. We predict positions of 19 4p^5 4d^3 levels, as well as f values for the 360 transitions between the calculated levels. Gauge agreements are good for transitions with f > .01. Details of the methodology have been published elsewhere (D. R. Beck and L. Pan, Phys. Scr. 69), 91 (2004).

  10. Alignment of electronic energy levels at electrochemical interfaces.

    PubMed

    Cheng, Jun; Sprik, Michiel

    2012-08-28

    The position of electronic energy levels in a phase depends on the surface potentials at its boundaries. Bringing two phases in contact at an interface will alter the surface potentials shifting the energy levels relative to each other. Calculating such shifts for electrochemical interfaces requires a combination of methods from computational surface science and physical chemistry. The problem is closely related to the computation of potentials of electrochemically inactive electrodes. These so-called ideally polarizable interfaces are impossible to cross for electrons. In this perspective we review two density functional theory based methods that have been developed for this purpose, the workfunction method and the hydrogen insertion method. The key expressions of the two methods are derived from the formal theory of absolute electrode potentials. As an illustration of the workfunction method we review the computation of the potential of zero charge of the Pt(111)-water interface as recently published by a number of groups. The example of the hydrogen insertion method is from our own work on the rutile TiO(2)(110)-water interface at the point of zero proton charge. The calculations are summarized in level diagrams aligning the electronic energy levels of the solid electrode (Fermi level of the metal, valence band maximum and conduction band minimum of the semiconductor) to the band edges of liquid water and the standard potential for the reduction of the hydroxyl radical. All potentials are calculated at the same level of density functional theory using the standard hydrogen electrode as common energy reference. Comparison to experiment identifies the treatment of the valence band of water as a potentially dangerous source of error for application to electrocatalysis and photocatalysis.

  11. Core level binding energies of functionalized and defective graphene

    PubMed Central

    Kaukonen, Markus; Havu, Paula; Ljungberg, Mathias P; Ayala, Paola; Kauppinen, Esko I

    2014-01-01

    Summary X-ray photoelectron spectroscopy (XPS) is a widely used tool for studying the chemical composition of materials and it is a standard technique in surface science and technology. XPS is particularly useful for characterizing nanostructures such as carbon nanomaterials due to their reduced dimensionality. In order to assign the measured binding energies to specific bonding environments, reference energy values need to be known. Experimental measurements of the core level signals of the elements present in novel materials such as graphene have often been compared to values measured for molecules, or calculated for finite clusters. Here we have calculated core level binding energies for variously functionalized or defected graphene by delta Kohn–Sham total energy differences in the real-space grid-based projector-augmented wave density functional theory code (GPAW). To accurately model extended systems, we applied periodic boundary conditions in large unit cells to avoid computational artifacts. In select cases, we compared the results to all-electron calculations using an ab initio molecular simulations (FHI-aims) code. We calculated the carbon and oxygen 1s core level binding energies for oxygen and hydrogen functionalities such as graphane-like hydrogenation, and epoxide, hydroxide and carboxylic functional groups. In all cases, we considered binding energy contributions arising from carbon atoms up to the third nearest neighbor from the functional group, and plotted C 1s line shapes by using experimentally realistic broadenings. Furthermore, we simulated the simplest atomic defects, namely single and double vacancies and the Stone–Thrower–Wales defect. Finally, we studied modifications of a reactive single vacancy with O and H functionalities, and compared the calculated values to data found in the literature. PMID:24605278

  12. Framework for State-Level Renewable Energy Market Potential Studies

    SciTech Connect

    Kreycik, C.; Vimmerstedt, L.; Doris, E.

    2010-01-01

    State-level policymakers are relying on estimates of the market potential for renewable energy resources as they set goals and develop policies to accelerate the development of these resources. Therefore, accuracy of such estimates should be understood and possibly improved to appropriately support these decisions. This document provides a framework and next steps for state officials who require estimates of renewable energy market potential. The report gives insight into how to conduct a market potential study, including what supporting data are needed and what types of assumptions need to be made. The report distinguishes between goal-oriented studies and other types of studies, and explains the benefits of each.

  13. First principle prediction of shallow defect level binding energies and deep level nonradiative recombination rates

    NASA Astrophysics Data System (ADS)

    Wang, Linwang

    2014-03-01

    Accurate calculation of defect level energies in semiconductors and their carrier capturing rate is an important issue in ab initio prediction of semiconductor properties. In this talk, I will present our result work in ab initio shallow level calculation and deep level caused nonradiative recombination rate calculation. In the shallow acceptor level calculation, a large system up to 64,000 atoms needs to be used to properly describe the weakly bounded hole wave functions. The single particle Hamiltonian of that system is patched from bulk potential and central potential. Furthermore, GW calculation is used to correct the one site potential of the impurity atom. The resulting binding energy agrees excellently with the experiments within 10 meV. To calculate the nonradiative decay rate, the electron-phonon coupling constants in the defect system are calculated all at once using a new variational algorithm. Multiphonon process formalism is used to calculate the nonradiative decay rate. It is found that the transition is induced by the electron and the optical phonon coupling, but the energy conservation is mostly satisfied by the acoustic phonons. The new algorithm allows fast calculation of such nonradiative decay rate for any defect levels, as well as other multiphonon processes in nanostructures. This work was supported by the Director, Office of Science (SC), Basic Energy Science (BES)/Materials Science and Engineering Division (MSED) of the U.S. Department of Energy (DOE) under the contract No. DE-AC02-05CH11231.

  14. Public budgets for energy RD&D and the effects on energy intensity and pollution levels.

    PubMed

    Balsalobre, Daniel; Álvarez, Agustín; Cantos, José María

    2015-04-01

    This study, based on the N-shaped cubic model of the environmental Kuznets curve, analyzes the evolution of per capita greenhouse gas emissions (GHGpc) using not just economic growth but also public budgets dedicated to energy-oriented research development and demonstration (RD&D) and energy intensity. The empirical evidence, obtained from an econometric model of fixed effects for 28 OECD countries during 1994-2010, suggests that energy innovations help reduce GHGpc levels and mitigate the negative impact of energy intensity on environmental quality. When countries develop active energy RD&D policies, they can reduce both the rates of energy intensity and the level of GHGpc emissions. This paper incorporates a moderating variable to the econometric model that emphasizes the effect that GDP has on energy intensity. It also adds a variable that reflects the difference between countries that have made a greater economic effort in energy RD&D, which in turn corrects the GHG emissions resulting from the energy intensity of each country.

  15. Sleep and brain energy levels: ATP changes during sleep.

    PubMed

    Dworak, Markus; McCarley, Robert W; Kim, Tae; Kalinchuk, Anna V; Basheer, Radhika

    2010-06-30

    Sleep is one of the most pervasive biological phenomena, but one whose function remains elusive. Although many theories of function, indirect evidence, and even common sense suggest sleep is needed for an increase in brain energy, brain energy levels have not been directly measured with modern technology. We here report that ATP levels, the energy currency of brain cells, show a surge in the initial hours of spontaneous sleep in wake-active but not in sleep-active brain regions of rat. The surge is dependent on sleep but not time of day, since preventing sleep by gentle handling of rats for 3 or 6 h also prevents the surge in ATP. A significant positive correlation was observed between the surge in ATP and EEG non-rapid eye movement delta activity (0.5-4.5 Hz) during spontaneous sleep. Inducing sleep and delta activity by adenosine infusion into basal forebrain during the normally active dark period also increases ATP. Together, these observations suggest that the surge in ATP occurs when the neuronal activity is reduced, as occurs during sleep. The levels of phosphorylated AMP-activated protein kinase (P-AMPK), well known for its role in cellular energy sensing and regulation, and ATP show reciprocal changes. P-AMPK levels are lower during the sleep-induced ATP surge than during wake or sleep deprivation. Together, these results suggest that sleep-induced surge in ATP and the decrease in P-AMPK levels set the stage for increased anabolic processes during sleep and provide insight into the molecular events leading to the restorative biosynthetic processes occurring during sleep.

  16. Department of Energy low-level radioactive waste disposal concepts

    SciTech Connect

    Ozaki, C.; Page, L.; Morreale, B.; Owens, C.

    1990-01-01

    The Department of Energy (DOE) manages its low-level waste (LLW), regulated by DOE Order 5820.2A by using an overall systems approach. This systems approach provides an improved and consistent management system for all DOE LLW waste, from generation to disposal. This paper outlines six basic disposal concepts used in the systems approach, discusses issues associated with each of the concepts, and outlines both present and future disposal concepts used at six DOE sites. 3 refs., 9 figs.

  17. Potential energy surface and rovibrational energy levels of the H2-CS van der Waals complex.

    PubMed

    Denis-Alpizar, Otoniel; Stoecklin, Thierry; Halvick, Philippe; Dubernet, Marie-Lise; Marinakis, Sarantos

    2012-12-21

    Owing to its large dipole, astrophysicists use carbon monosulfide (CS) as a tracer of molecular gas in the interstellar medium, often in regions where H(2) is the most abundant collider. Predictions of the rovibrational energy levels of the weakly bound complex CS-H(2) (not yet observed) and also of rate coefficients for rotational transitions of CS in collision with H(2) should help to interpret the observed spectra. This paper deals with the first goal, i.e., the calculation of the rovibrational energy levels. A new four-dimensional intermolecular potential energy surface for the H(2)-CS complex is presented. Ab initio potential energy calculations were carried out at the coupled-cluster level with single and double excitations and a perturbative treatment of triple excitations, using a quadruple-zeta basis set and midbond functions. The potential energy surface was obtained by an analytic fit of the ab initio data. The equilibrium structure of the H(2)-CS complex is found to be linear with the carbon pointing toward H(2) at the intermolecular separation of 8.6 a(o). The corresponding well depth is -173 cm(-1). The potential was used to calculate the rovibrational energy levels of the para-H(2)-CS and ortho-H(2)-CS complexes. The present work provides the first theoretical predictions of these levels. The calculated dissociation energies are found to be 35.9 cm(-1) and 49.9 cm(-1), respectively, for the para and ortho complexes. The second virial coefficient for the H(2)-CS pair has also been calculated for a large range of temperature. These results could be used to assign future experimental spectra and to check the accuracy of the potential energy surface.

  18. Energy levels scheme simulation of divalent cobalt doped bismuth germanate

    SciTech Connect

    Andreici, Emiliana-Laura; Petkova, Petya; Avram, Nicolae M.

    2015-12-07

    The aim of this paper is to simulate the energy levels scheme for Bismuth Germanate (BGO) doped with divalent cobalt, in order to give a reliable explanation for spectral experimental data. In the semiempirical crystal field theory we first modeled the Crystal Field Parameters (CFPs) of BGO:Cr{sup 2+} system, in the frame of Exchange Charge Model (ECM), with actually site symmetry of the impurity ions after doping. The values of CFPs depend on the geometry of doped host matrix and by parameter G of ECM. First, we optimized the geometry of undoped BGO host matrix and afterwards, that of doped BGO with divalent cobalt. The charges effect of ligands and covalence bonding between cobalt cations and oxygen anions, in the cluster approach, also were taken into account. With the obtained values of the CFPs we simulate the energy levels scheme of cobalt ions, by diagonalizing the matrix of the doped crystal Hamiltonian. Obviously, energy levels and estimated Racah parameters B and C were compared with the experimental spectroscopic data and discussed. Comparison of obtained results with experimental data shows quite satisfactory, which justify the model and simulation schemes used for the title system.

  19. A Detailed Level Kinetics Model of NO Vibrational Energy Distributions

    NASA Technical Reports Server (NTRS)

    Sharma, Surendra P.; Gilmore, John; Cavolowsky, John A. (Technical Monitor)

    1996-01-01

    Several contemporary problems have pointed to the desirability of a detailed level kinetics approach to modeling the distribution of vibrational energy in NO. Such a model is necessary when vibrational redistribution reactions are insufficient to maintain a Boltzmann distribution over the vibrational energy states. Recent calculations of the rate constant for the first reaction of the Zeldovich mechanism (N2 + O (goes to) NO + N) have suggested that the product NO is formed in high vibrational states. In shock layer flowfields, the product NO molecules may experience an insufficient number of collisions to establish a Boltzmann distribution over vibrational states, thus necessitating a level kinetics model. In other flows, such as expansions of high temperature air, fast, near-resonance vibrational energy exchanges with N2 and O2 may also require a level specific model for NO because of the relative rates of vibrational exchange and redistribution. The proposed report will integrate computational and experimental components to construct such a model for the NO molecule.

  20. A Detailed Level Kinetics Model of NO Vibrational Energy Distributions

    NASA Technical Reports Server (NTRS)

    Sharma, Surendra P.; Gilmore, John; Cavolowsky, John A. (Technical Monitor)

    1996-01-01

    Several contemporary problems have pointed to the desirability of a detailed level kinetics approach to modeling the distribution of vibrational energy in NO. Such a model is necessary when vibrational redistribution reactions are insufficient to maintain a Boltzmann distribution over the vibrational energy states. Recent calculations of the rate constant for the first reaction of the Zeldovich mechanism (N2 + O (goes to) NO + N) have suggested that the product NO is formed in high vibrational states. In shock layer flowfields, the product NO molecules may experience an insufficient number of collisions to establish a Boltzmann distribution over vibrational states, thus necessitating a level kinetics model. In other flows, such as expansions of high temperature air, fast, near-resonance vibrational energy exchanges with N2 and O2 may also require a level specific model for NO because of the relative rates of vibrational exchange and redistribution. The proposed report will integrate computational and experimental components to construct such a model for the NO molecule.

  1. A rotamer energy level study of sulfuric acid

    NASA Astrophysics Data System (ADS)

    Partanen, Lauri; Pesonen, Janne; Sjöholm, Elina; Halonen, Lauri

    2013-10-01

    It is a common approach in quantum chemical calculations for polyatomic molecules to rigidly constrain some of the degrees of freedom in order to make the calculations computationally feasible. However, the presence of the rigid constraints also affects the kinetic energy operator resulting in the frozen mode correction, originally derived by Pesonen [J. Chem. Phys. 139, 144310 (2013)]. In this study, we compare the effects of this correction to several different approximations to the kinetic energy operator used in the literature, in the specific case of the rotamer energy levels of sulfuric acid. The two stable conformers of sulfuric acid are connected by the rotations of the O-S-O-H dihedral angles and possess C2 and Cs symmetry in the order of increasing energy. Our results show that of the models tested, the largest differences with the frozen mode corrected values were obtained by simply omitting the passive degrees of freedom. For the lowest 17 excited states, this inappropriate treatment introduces an increase of 9.6 cm-1 on average, with an increase of 8.7 cm-1 in the zero-point energies. With our two-dimensional potential energy surface calculated at the CCSD(T)-F12a/VDZ-F12 level, we observe a radical shift in the density of states compared to the harmonic picture, combined with an increase in zero point energy. Thus, we conclude that the quantum mechanical inclusion of the different conformers of sulfuric acid have a significant effect on its vibrational partition function, suggesting that it will also have an impact on the computational values of the thermodynamic properties of any reactions where sulfuric acid plays a role. Finally, we also considered the effect of the anharmonicities for the other vibrational degrees of freedom with a VSCF-calculation at the DF-MP2-F12/VTZ-F12 level of theory but found that the inclusion of the other conformer had the more important effect on the vibrational partition function.

  2. A rotamer energy level study of sulfuric acid.

    PubMed

    Partanen, Lauri; Pesonen, Janne; Sjöholm, Elina; Halonen, Lauri

    2013-10-14

    It is a common approach in quantum chemical calculations for polyatomic molecules to rigidly constrain some of the degrees of freedom in order to make the calculations computationally feasible. However, the presence of the rigid constraints also affects the kinetic energy operator resulting in the frozen mode correction, originally derived by Pesonen [J. Chem. Phys. 139, 144310 (2013)]. In this study, we compare the effects of this correction to several different approximations to the kinetic energy operator used in the literature, in the specific case of the rotamer energy levels of sulfuric acid. The two stable conformers of sulfuric acid are connected by the rotations of the O-S-O-H dihedral angles and possess C2 and Cs symmetry in the order of increasing energy. Our results show that of the models tested, the largest differences with the frozen mode corrected values were obtained by simply omitting the passive degrees of freedom. For the lowest 17 excited states, this inappropriate treatment introduces an increase of 9.6 cm(-1) on average, with an increase of 8.7 cm(-1) in the zero-point energies. With our two-dimensional potential energy surface calculated at the CCSD(T)-F12a/VDZ-F12 level, we observe a radical shift in the density of states compared to the harmonic picture, combined with an increase in zero point energy. Thus, we conclude that the quantum mechanical inclusion of the different conformers of sulfuric acid have a significant effect on its vibrational partition function, suggesting that it will also have an impact on the computational values of the thermodynamic properties of any reactions where sulfuric acid plays a role. Finally, we also considered the effect of the anharmonicities for the other vibrational degrees of freedom with a VSCF-calculation at the DF-MP2-F12/VTZ-F12 level of theory but found that the inclusion of the other conformer had the more important effect on the vibrational partition function.

  3. An ab initio potential energy surface and vibrational energy levels of ZnH2.

    PubMed

    Huang, Zheng Guo; Yu, Lei; Dai, Yu Mei

    2010-04-15

    A three-dimensional potential energy surface of the electronic ground state of ZnH(2) (X1 Sigma(g)+) molecule is constructed from more than 7500 ab initio points calculated at the internally contracted multireference configuration interaction with the Davidson correction (icMRCI+Q) level employing large basis sets. The calculated relative energies of various dissociation reactions are in good agreement with the previous theoretical/experimental values. Low-lying vibrational energy levels of ZnH(2), ZnD(2), and HZnD are calculated on the three-dimensional potential energy surface using the Lanczos algorithm, and found to be in good agreement with the available experimental band origins and the previous theoretical values. 2009 Wiley Periodicals, Inc.

  4. Maximal sustained levels of energy expenditure in humans during exercise.

    PubMed

    Cooper, Jamie A; Nguyen, David D; Ruby, Brent C; Schoeller, Dale A

    2011-12-01

    Migrating birds have been able to sustain an energy expenditure (EE) that is five times their basal metabolic rate. Although humans can readily reach these levels, it is not yet clear what levels can be sustained for several days. The study's purposes were 1) to determine the upper limits of human EE and whether or not those levels can be sustained without inducing catabolism of body tissues and 2) to determine whether initial body weight is related to the levels that can be sustained. We compiled data on documented EE as measured by doubly labeled water during high levels of physical activity (minimum of five consecutive days). We calculated the physical activity level (PAL) of each individual studied (PAL = total EE / basal metabolic rate) from the published data. Correlations were run to examine the relationship between initial body weight and body weight lost with both total EE and PAL. The uppermost limit of EE was a peak PAL of 6.94 that was sustained for 10 consecutive days of a 95-d race. Only two studies reported PALs above 5.0; however, significant decreases in body mass were found in each study (0.45-1.39 kg·wk(-1) of weight loss). To test whether initial weight affects the ability to sustain high PALs, we found a significant positive correlation between TEE and initial body weight (r = 0.46, P < 0.05) but no correlation between PAL and body weight (r = 0.27, not statistically significant). Some elite humans are able to sustain PALs above 5.0 for a minimum of 10 d. Although significant decreases in body weight occur at this level, catabolism of body tissue may be preventable in situations with proper energy intake. Further, initial body weight does not seem to affect the sustainability of PALs.

  5. The vibrational energy levels and dissociation energy of O2/+/ /X 2 Pi g/

    NASA Technical Reports Server (NTRS)

    Samson, J. A. R.; Gardner, J. L.

    1977-01-01

    The absolute vibrational energy levels of the X 2 Pi g state of O2(+) have been determined by the method of photoelectron spectroscopy in the range nu = 0-25. The precision of the method is comparable to that of conventional high resolution optical spectroscopy. The dissociation energy obtained by a linear extrapolation of the vibrational separations is found to be 6.67 plus or minus 0.18 eV.

  6. The molecular potential energy surface and vibrational energy levels of methyl fluoride. Part II.

    PubMed

    Manson, Steven A; Law, Mark M; Atkinson, Ian A; Thomson, Grant A

    2006-06-28

    New analytical bending and stretching, ground electronic state, potential energy surfaces for CH(3)F are reported. The surfaces are expressed in bond-length, bond-angle internal coordinates. The four-dimensional stretching surface is an accurate, least squares fit to over 2000 symmetrically unique ab initio points calculated at the CCSD(T) level. Similarly, the five-dimensional bending surface is a fit to over 1200 symmetrically unique ab initio points. This is an important first stage towards a full nine-dimensional potential energy surface for the prototype CH(3)F molecule. Using these surfaces, highly excited stretching and (separately) bending vibrational energy levels of CH(3)F are calculated variationally using a finite basis representation method. The method uses the exact vibrational kinetic energy operator derived for XY(3)Z systems by Manson and Law (preceding paper, Part I, Phys. Chem. Chem. Phys., 2006, 8, DOI: 10.1039/b603106d). We use the full C(3v) symmetry and the computer codes are designed to use an arbitrary potential energy function. Ultimately, these results will be used to design a compact basis for fully coupled stretch-bend calculations of the vibrational energy levels of the CH(3)F system.

  7. Energy levels and radiative rates for transitions in Mo XV

    NASA Astrophysics Data System (ADS)

    El-Sayed, F.; Attia, S. M.

    2017-07-01

    Energy levels, wavelengths, transition probabilities, oscillator strengths, line strengths, and lifetimes have been calculated for transitions among the fine-structure levels belonging to the (1s22s22p6)3s23p63d10, 3s23p63d94l, 3s23p53d104l, and 3s3p63d104l (l = s, p, d, f) configurations of the Ni-like Molybdenum, Mo XV. The results for electric dipole (E1), electric quadrupole (E2), magnetic dipole (M1), and magnetic quadrupole (M2) transitions among the lowest levels of Mo XV have been reported and compared with available NIST results.

  8. Antimullerian Hormone Level and Endometrioma Ablation Using Plasma Energy

    PubMed Central

    Bubenheim, Michael; Auber, Mathieu; Marpeau, Loïc; Puscasiu, Lucian

    2014-01-01

    Objective: To investigate the impact of ovarian endometrioma vaporization using plasma energy on antimullerian hormone (AMH) level. Method: We report a prospective, noncomparative series (NCT01596985). Twenty-two patients with unilateral ovarian endometriomas ≥30 mm, with no surgical antecedent and no ongoing pregnancy, underwent vaporization of ovarian endometriomas using plasma energy during the period of November 29, 2010 to November 28, 2012. We assessed AMH levels before surgery, 3 months postoperatively, and at the end of follow-up. Results: The mean length of postoperative follow-up was 18.2 ± 8 months. AMH level significantly varied through the 3 assessments performed in the study, as the mean values ± SD were 3.9 ± 2.6 ng/mL before the surgery, 2.3 ± 1.1 ng/mL at 3 months, and 3.1 ± 2.2 ng/mL at the end of the follow-up (P = .001). There was a significant increase from 3 months postoperatively to the end of follow-up (median change 0.7 ng/mL, P = .01). Seventy-one percent of patients had an AMH level >2 ng/mL at the end of the follow-up versus 76% before the surgery (P = 1). During the postoperative follow-up, 11 patients tried to conceive, of whom 8 (73%) became pregnant. Conclusions: The ablation of unilateral endometriomas is followed in a majority of cases by a significant decrease in AMH level 3 months after surgery. In subsequent months, this level progressively increases, raising questions about the real factors that impact postoperative ovarian AMH production. PMID:25392649

  9. Energy level control: toward an efficient hot electron transport

    NASA Astrophysics Data System (ADS)

    Jin, Xiao; Li, Qinghua; Li, Yue; Chen, Zihan; Wei, Tai-Huei; He, Xingdao; Sun, Weifu

    2014-08-01

    Highly efficient hot electron transport represents one of the most important properties required for applications in photovoltaic devices. Whereas the fabrication of efficient hot electron capture and lost-cost devices remains a technological challenge, regulating the energy level of acceptor-donor system through the incorporation of foreign ions using the solution-processed technique is one of the most promising strategies to overcome this obstacle. Here we present a versatile acceptor-donor system by incorporating MoO3:Eu nanophosphors, which reduces both the `excess' energy offset between the conduction band of acceptor and the lowest unoccupied molecular orbital of donor, and that between the valence band and highest occupied molecular orbital. Strikingly, the hot electron transfer time has been shortened. This work demonstrates that suitable energy level alignment can be tuned to gain the higher hot electron/hole transport efficiency in a simple approach without the need for complicated architectures. This work builds up the foundation of engineering building blocks for third-generation solar cells.

  10. Energy level control: toward an efficient hot electron transport

    PubMed Central

    Jin, Xiao; Li, Qinghua; Li, Yue; Chen, Zihan; Wei, Tai-Huei; He, Xingdao; Sun, Weifu

    2014-01-01

    Highly efficient hot electron transport represents one of the most important properties required for applications in photovoltaic devices. Whereas the fabrication of efficient hot electron capture and lost-cost devices remains a technological challenge, regulating the energy level of acceptor-donor system through the incorporation of foreign ions using the solution-processed technique is one of the most promising strategies to overcome this obstacle. Here we present a versatile acceptor-donor system by incorporating MoO3:Eu nanophosphors, which reduces both the ‘excess' energy offset between the conduction band of acceptor and the lowest unoccupied molecular orbital of donor, and that between the valence band and highest occupied molecular orbital. Strikingly, the hot electron transfer time has been shortened. This work demonstrates that suitable energy level alignment can be tuned to gain the higher hot electron/hole transport efficiency in a simple approach without the need for complicated architectures. This work builds up the foundation of engineering building blocks for third-generation solar cells. PMID:25099864

  11. Energy level control: toward an efficient hot electron transport.

    PubMed

    Jin, Xiao; Li, Qinghua; Li, Yue; Chen, Zihan; Wei, Tai-Huei; He, Xingdao; Sun, Weifu

    2014-08-07

    Highly efficient hot electron transport represents one of the most important properties required for applications in photovoltaic devices. Whereas the fabrication of efficient hot electron capture and lost-cost devices remains a technological challenge, regulating the energy level of acceptor-donor system through the incorporation of foreign ions using the solution-processed technique is one of the most promising strategies to overcome this obstacle. Here we present a versatile acceptor-donor system by incorporating MoO3:Eu nanophosphors, which reduces both the 'excess' energy offset between the conduction band of acceptor and the lowest unoccupied molecular orbital of donor, and that between the valence band and highest occupied molecular orbital. Strikingly, the hot electron transfer time has been shortened. This work demonstrates that suitable energy level alignment can be tuned to gain the higher hot electron/hole transport efficiency in a simple approach without the need for complicated architectures. This work builds up the foundation of engineering building blocks for third-generation solar cells.

  12. Vintage-level energy and environmental performance of manufacturing establishments

    SciTech Connect

    Boyd, G.A.; Bock, M.J.; Neifer, M.J.; Karlson, S.H.; Ross, M.H.

    1994-05-01

    This report examines the relationship between an industrial plant`s vintage and its energy and environmental performance. Basic questions related to defining vintage and measuring the effects of the manufacturing industry`s vintage distribution of plant-level capacity and energy intensity are explored in general for six energy-intensive sectors (paper, chlorine, nitrogenous fertilizer, aluminum, steel, and cement) at the four-digit standard industrial classification (SIC) level and in detail for two sectors (steel and cement). Results show that greenfield (i.e., newly opened) plants in the paper, steel, and cement industries exhibit low fossil fuel intensities. These results are consistent with expectations. New plants in the paper and steel industries, where processes are undergoing electrification, exhibit high electricity intensities. An analysis of a subsector of the steel industry -- minimills that use scrap-based, electric arc furnaces -- reveals a decline in electricity intensity of 6.2 kilowatt-hours per ton for each newer year of installed vintage. This estimate is consistent with those of engineering studies and raises confidence that analyses of vintage effects in other industries could be conducted. When a vintage measure is assigned on the basis of investment data rather than trade association data, the vintage/performance relationship results for the cement industry are reasonably robust; thus, the analysis of vintage and performance could be extended to sectors for which only US Bureau of the Census data are available.

  13. Lighting system replacement brings energy costs down, light levels up

    SciTech Connect

    Radmer, D.J.

    1984-11-08

    The R.J. Frisby Mfg. Co. operates on three shifts and produces precision screw machine products for a variety of industries, including automotive, marine, machine tool, hydraulics and pneumatics, business machines, electrical and electronics, photography, and precision instruments. The required degree of manufacturing precision demands high light levels in manufacturing areas. When the 100,000 sq ft plant was built in 1973, mercury vapor lighting was installed consistent with the current state of the art for lighting such facilities. In the ensuing years, it became apparent that the soaring electric bills that came in the wake of the Arab oil embargo of 1973-74 would have to be controlled. Estimates by the U.S. Department of Energy indicated that electric energy costs were likely to rise by 160 percent over the next 10 yr. Based on this estimate, and the fact that lighting accounted for $70,000, or half of the annual electric bill, it was estimated that $900,000 to $1,000,000 would be spent for lighting energy over the next decade. The concern over the probability of rapidly escalating electrical costs was soon justified when, in three steps over one 12 mo period, the electric energy rate increased from $0.0305/kwh to $0.0416/kwh -more than a 36 percent increase. During that same period, the demand charge was raised in two steps from $3.75/kw to $4.85/kw --more than a 29 percent increase.

  14. Energy transfer and energy level decay processes of Er3+ in water-free tellurite glass

    NASA Astrophysics Data System (ADS)

    Gomes, Laercio; Rhonehouse, Daniel; Nguyen, Dan T.; Zong, Jie; Chavez-Pirson, Arturo; Jackson, Stuart D.

    2015-12-01

    This report details the fundamental spectroscopic properties of a new class of water-free tellurite glasses studied for future applications in mid-infrared light generation. The fundamental excited state decay processes relating to the 4I11/2 → 4I13/2 transition in singly Er3+-doped Tellurium Zinc Lanthanum glass have been investigated using time-resolved fluorescence spectroscopy. The excited state dynamics was analyzed for Er2O3 concentrations between 0.5 mol% and 4 mol%. Selective laser excitation of the 4I11/2 energy level at 972 nm and selective laser excitation of the 4I13/2 energy level at 1485 nm has established that in a similar way to other Er3+-doped glasses, a strong energy-transfer upconversion by way of a dipole-dipole interaction between two excited erbium ions in the 4I13/2 level populates the 4I11/2 upper laser level of the 3 μm transition. The 4I13/2 and 4I11/2 energy levels emitted luminescence with peaks located at 1532 nm and 2734 nm respectively with luminescence efficiencies of 100% and 8% for the higher (4 mol.%) concentration sample. Results from numerical simulations showed that a population inversion is reached at a threshold pumping intensity of ∼57 kW cm-2 for a CW laser pump at 976 nm for [Er2O3] = 2 mol.%.

  15. Characterizing and modeling subarea-level energy transactions.

    SciTech Connect

    Kavicky, J. A.

    1998-03-05

    This paper describes the application of an electrical network characterization method to an optimization model that is designed to simulate subarea-level energy transactions. The network characterization method determines subarea clusters of system buses that electrically respond to perturbations in a very similar manner. The method produces a reduced number of transmission constraints and preserves parallel path representations. The least-cost, linear programming (LP) formulation takes advantage of data reduction techniques to simplify model transmission constraints, while supporting parallel path system characteristics and energy tagging of subarea transactions. An overview of the proposed method describes the problem domain and key model features. The paper then presents two model applications that illustrate generator siting and line overload screening analyses.

  16. Fermi level stabilization energy in group III-nitrides

    SciTech Connect

    Li, S.X.; Yu, K.M.; Wu, J.; Jones, R.E.; Walukiewicz, W.; AgerIII, J.W.; Shan, W.; Haller, E.E.; Lu, Hai; Schaff, William J.

    2005-01-07

    Energetic particle irradiation is used to systematically introduce point defects into In{sub 1-x}Ga{sub x}N alloys over the entire composition range. Three types of energetic particles (electrons, protons, and {sup 4}He{sup +}) are used to produce a displacement damage dose spanning five decades. In InN and In-rich InGaN the free electron concentration increases with increasing irradiation dose but saturates at a sufficiently high dose. The saturation is due to Fermi level pinning at the Fermi Stabilization Energy (E{sub FS}), which is located at 4.9 eV below the vacuum level. Electrochemical capacitance-voltage (ECV) measurements show that the pinning of the surface Fermi energy at E{sub FS} is also responsible for the surface electron accumulation in as-grown InN and In-rich InGaN alloys. The results are in agreement with the amphoteric defect model that predicts that the same type of native defects are responsible for the Fermi level pinning in both cases.

  17. Radiative lifetime and energy of the low-energy isomeric level in 229Th

    NASA Astrophysics Data System (ADS)

    Tkalya, E. V.; Schneider, Christian; Jeet, Justin; Hudson, Eric R.

    2015-11-01

    We estimate the range of the radiative lifetime and energy of the anomalous, low-energy 3 /2+(7.8 ±0.5 eV) state in the 229Th nucleus. Our phenomenological calculations are based on the available experimental data for the intensities of M 1 and E 2 transitions between excited levels of the 229Th nucleus in the Kπ[N nZΛ ] =5 /2+[633 ] and 3 /2+[631 ] rotational bands. We also discuss the influence of certain branching coefficients, which affect the currently accepted measured energy of the isomeric state. From this work, we establish a favored region, 0.66 ×106seV3/ω3≤τ ≤2.2 ×106seV3/ω3 , where the transition lifetime τ as a function of transition energy ω should lie at roughly the 95% confidence level. Together with the result of Beck et al. [LLNL-PROC-415170 (2009)], we establish a favored area where transition lifetime and energy should lie at roughly the 90% confidence level. We also suggest new nuclear physics measurements, which would significantly reduce the ambiguity in the present data.

  18. Energy efficiency, human behavior, and economic growth: Challenges to cutting energy demand to sustainable levels

    SciTech Connect

    Santarius, Tilman

    2015-03-30

    Increasing energy efficiency in households, transportation, industries, and services is an important strategy to reduce energy service demand to levels that allow the steep reduction of greenhouse gases, and a full fledged switch of energy systems to a renewable basis. Yet, technological efficiency improvements may generate so-called rebound effects, which may ‘eat up’ parts of the technical savings potential. This article provides a comprehensive review of existing research on these effects, raises critiques, and points out open questions. It introduces micro-economic rebound effect and suggests extending consumer-side analysis to incorporate potential ‘psychological rebound effects.’ It then discusses meso-economic rebound effects, i.e. producer-side and market-level rebounds, which so far have achieved little attention in the literature. Finally, the article critically reviews evidence for macro-economic rebound effects as energy efficiency-induced economic growth impacts. For all three categories, the article summarizes assessments of their potential quantitative scope, while pointing out remaining methodological weaknesses and open questions. As a rough “rule of thumb”, in the long term and on gross average, only half the technical savings potential of across-the-board efficiency improvements may actually be achieved in the real world. Policies that aim at cutting energy service demand to sustainable levels are well advised to take due note of detrimental behavioral and economic growth impacts, and should foster policies and measures that can contain them.

  19. Energy efficiency, human behavior, and economic growth: Challenges to cutting energy demand to sustainable levels

    NASA Astrophysics Data System (ADS)

    Santarius, Tilman

    2015-03-01

    Increasing energy efficiency in households, transportation, industries, and services is an important strategy to reduce energy service demand to levels that allow the steep reduction of greenhouse gases, and a full fledged switch of energy systems to a renewable basis. Yet, technological efficiency improvements may generate so-called rebound effects, which may `eat up' parts of the technical savings potential. This article provides a comprehensive review of existing research on these effects, raises critiques, and points out open questions. It introduces micro-economic rebound effect and suggests extending consumer-side analysis to incorporate potential `psychological rebound effects.' It then discusses meso-economic rebound effects, i.e. producer-side and market-level rebounds, which so far have achieved little attention in the literature. Finally, the article critically reviews evidence for macro-economic rebound effects as energy efficiency-induced economic growth impacts. For all three categories, the article summarizes assessments of their potential quantitative scope, while pointing out remaining methodological weaknesses and open questions. As a rough "rule of thumb", in the long term and on gross average, only half the technical savings potential of across-the-board efficiency improvements may actually be achieved in the real world. Policies that aim at cutting energy service demand to sustainable levels are well advised to take due note of detrimental behavioral and economic growth impacts, and should foster policies and measures that can contain them.

  20. Accurate energy levels for singly ionized platinum (Pt II)

    NASA Technical Reports Server (NTRS)

    Reader, Joseph; Acquista, Nicolo; Sansonetti, Craig J.; Engleman, Rolf, Jr.

    1988-01-01

    New observations of the spectrum of Pt II have been made with hollow-cathode lamps. The region from 1032 to 4101 A was observed photographically with a 10.7-m normal-incidence spectrograph. The region from 2245 to 5223 A was observed with a Fourier-transform spectrometer. Wavelength measurements were made for 558 lines. The uncertainties vary from 0.0005 to 0.004 A. From these measurements and three parity-forbidden transitions in the infrared, accurate values were determined for 28 even and 72 odd energy levels of Pt II.

  1. Charge retention in quantized energy levels of nanocrystals

    NASA Astrophysics Data System (ADS)

    Dâna, Aykutlu; Akça, İmran; Ergun, Orçun; Aydınlı, Atilla; Turan, Raşit; Finstad, Terje G.

    2007-04-01

    Understanding charging mechanisms and charge retention dynamics of nanocrystal (NC) memory devices is important in optimization of device design. Capacitance spectroscopy on PECVD grown germanium NCs embedded in a silicon oxide matrix was performed. Dynamic measurements of discharge dynamics are carried out. Charge decay is modelled by assuming storage of carriers in the ground states of NCs and that the decay is dominated by direct tunnelling. Discharge rates are calculated using the theoretical model for different NC sizes and densities and are compared with experimental data. Experimental results agree well with the proposed model and suggest that charge is indeed stored in the quantized energy levels of the NCs.

  2. Impact of battery degradation on energy arbitrage revenue of grid-level energy storage

    DOE PAGES

    Wankmüller, Florian; Thimmapuram, Prakash R.; Gallagher, Kevin G.; ...

    2017-01-19

    This study investigates the representation of battery degradation in grid level energy storage applications. In particular, we focus on energy arbitrage, as this is a potential future large-scale application of energy storage and there is limited existing research combining the modelling of battery degradation and energy storage arbitrage. We implement two different representations of battery degradation within an energy arbitrage model, and show that degradation has a strong impact on battery energy storage system (BESS) profitability. In a case study using historical electricity market prices from the MISO electricity market in the United States, we find that the achievable netmore » present value (at an interest rate of 10%) for a battery system with a C-rate of 1C dropped from 358 /kWh in the case considering no degradation to 194-314 /kWh depending on the battery degradation model and assumptions for end of life (EOL) criteria. This corresponds to a reduction in revenue due to degradation in the 12-46% range.Furthermore, we find that reducing the cycling of the bat-tery via introducing a penalty cost in the objective function of the energy arbitrage optimization model can improve the profitability over the life of the BESS.« less

  3. Community Energy: Analysis of Hydrogen Distributed Energy Systems with Photovoltaics for Load Leveling and Vehicle Refueling

    SciTech Connect

    Steward, D.; Zuboy, J.

    2014-10-01

    Energy storage could complement PV electricity generation at the community level. Because PV generation is intermittent, strategies must be implemented to integrate it into the electricity system. Hydrogen and fuel cell technologies offer possible PV integration strategies, including the community-level approaches analyzed in this report: (1) using hydrogen production, storage, and reconversion to electricity to level PV generation and grid loads (reconversion scenario); (2) using hydrogen production and storage to capture peak PV generation and refuel hydrogen fuel cell electric vehicles (FCEVs) (hydrogen fueling scenario); and (3) a comparison scenario using a battery system to store electricity for EV nighttime charging (electric charging scenario).

  4. Energy level spacing distribution at the quantum Hall transition

    NASA Astrophysics Data System (ADS)

    Roemer, Rudolf A.; Cain, Philipp; Raikh, Mikhail E.; Schreiber, Michael

    2002-03-01

    We apply the renormalization group (RG) approach to study the energy level statistics at the integer quantum Hall transition. Within the RG approach the macroscopic array of saddle points of the Chalker-Coddington network is replaced by a fragment consisting of only five saddle points. Previously we have demonstrated that the RG approach reproduces the distribution of the power transmission coefficients at the transition, P(T), with very high accuracy.(P. Cain, M.E. Raikh, R.A. Roemer, M. Schreiber, Phys. Rev. B 64), 235326-9 (2001). To assess the level statistics we analyze the phases of the transmission coefficients. We find that, at the transition, the level spacing distribution (LSD) is close to that for the unitary ensemble with well-pronounced level repulsion. We emphasize that a metal-like LSD emerges when the fixed point distribution P(T) is used. We check that away from the transition the LSD crosses over towards the Poisson distribution.

  5. Rotational Energies in Various Torsional Levels of CH_2DOH

    NASA Astrophysics Data System (ADS)

    Coudert, L. H.; Hilali, A. El; Margulès, L.; Motiyenko, R. A.; Klee, S.

    2012-06-01

    Using an approach accounting for the hindered internal rotation of a monodeuterated methyl group, an analysis of the torsional spectrum of the monodeuterated species of methanol CH_2DOH has been carried out recently and led to the assignment of 76 torsional subbands in its microwave, FIR, and IR spectra. Although this approach also allowed us to account for subband centers, the rotational structure of the torsional subbands is not well understood yet. In this paper, we will deal with the rotational energies of CH_2DOH. Analyses of the rotational structure of the available subbands^b have been performed using the polynomial-type expansion introduced in the case of the normal species of methanol. For each subband, FIR or IR transitions and a-type microwave lines, within the lower torsional level, were fitted. The frequencies of the latters were taken from previous investigations or from new measurements carried out from 50 to 950 GHz with the submillimeterwave solid state spectrometer in Lille. Subbands involving lower levels with v_t=0 and K ≥ 3 could be satisfactorily analyzed. For levels characterized by lower K-values, the expansion fails. In the case of the K=1, v_t=1 level, the frequencies of a-type microwave transitions involving the lower member of the K-type doublet cannot be well reproduced. For K=0 levels with v_t=1 and 2, a large number of terms is needed in the expansion. We will try to understand why the rotational energies of these levels cannot be reproduced. The results of the analyses will be compared to those obtained with a global approach based on the rotation-torsion Hamiltonian of the molecule. [2] El Hilali, Coudert, Konov, and Klee, J. Chem. Phys. 135 (2011) 194309. [3] Ioli, Moruzzi, Riminucci, Strumia, Moraes, Winnewisser, and Winnewisser, J. Mol. Spec. 171 (1995) 130. [4] Quade and Suenram, J. Chem. Phys. 73 (1980) 1127; and Su and Quade, J. Mol. Spec. 134 (1989) 290. [5] Lauvergnat, Coudert, Klee, and Smirnov, J. Mol. Spec. 256 (2009

  6. Energy deposition study of low-energy cosmic radiation at sea level

    NASA Astrophysics Data System (ADS)

    Wijesinghe, Pushpa

    In this dissertation work, a computer simulation model based on the Geant4 simulation package has been designed and developed to study the energy deposition and track structures of cosmic muons and their secondary electrons in tissue-like materials. The particle interactions in a cubic water volume were first simulated. To analyze the energy deposition and tracks in small structures, with the intention of studying the energy localization in nanometric structures such as DNA, the chamber was sliced in three dimentions. Validation studies have been performed by comparing the results with experimental, theoretical, and other simulation results to test the accuracy of the simulation model. A human body phantom in sea-level muon environment was modeled to measure the yearly dose to a human from cosmic muons. The yearly dose in this phantom is about 22 millirems. This is close to the accepted value for the yearly dose from cosmic radiation at sea level. Shielding cosmic muons with a concrete slab from 0 to 2 meters increased the dose received by the body. This dissertation presents an extensive study on the interactions of secondary electrons created by muons in water. Index words. Radiation Dosimetry Simulation, Track Structures, Sea-Level muon Flux, Energy Deposition

  7. Identifying Energy-Efficient Concurrency Levels using Machine Learning

    SciTech Connect

    Curtis-Maury, M; Singh, K; Blagojevic, F; Nikolopoulos, D S; de Supinski, B R; Schulz, M; McKee, S A

    2007-07-23

    Multicore microprocessors have been largely motivated by the diminishing returns in performance and the increased power consumption of single-threaded ILP microprocessors. With the industry already shifting from multicore to many-core microprocessors, software developers must extract more thread-level parallelism from applications. Unfortunately, low power-efficiency and diminishing returns in performance remain major obstacles with many cores. Poor interaction between software and hardware, and bottlenecks in shared hardware structures often prevent scaling to many cores, even in applications where a high degree of parallelism is potentially available. In some cases, throwing additional cores at a problem may actually harm performance and increase power consumption. Better use of otherwise limitedly beneficial cores by software components such as hypervisors and operating systems can improve system-wide performance and reliability, even in cases where power consumption is not a main concern. In response to these observations, we evaluate an approach to throttle concurrency in parallel programs dynamically. We throttle concurrency to levels with higher predicted efficiency from both performance and energy standpoints, and we do so via machine learning, specifically artificial neural networks (ANNs). One advantage of using ANNs over similar techniques previously explored is that the training phase is greatly simplified, thereby reducing the burden on the end user. Using machine learning in the context of concurrency throttling is novel. We show that ANNs are effective for identifying energy-efficient concurrency levels in multithreaded scientific applications, and we do so using physical experimentation on a state-of-the-art quad-core Xeon platform.

  8. Formation energies and energy levels of deep defects in narrow gap semiconductors

    SciTech Connect

    Patterson, J.D.; Li, W.

    1996-12-31

    The authors use a Green`s function technique for deep defect energy level calculations in mercury cadmium telluride (MCT), mercury zinc telluride (MZT), and mercury zinc selenide (MZS). The formation energy is calculated from the difference between the total binding energy with an impurity cluster and with a perfect cluster. These alloys are among those that have been experimentally grown in microgravity aboard the Space Shuttle. To evaluate the quality of these crystals, it is necessary to characterize them, and one important aspect of this characterization is the study of deep defects which can limit carrier lifetime. Relaxation effects are calculated with molecular dynamics. The resulting energy shift can be greater for the interstitial case than the substitutional one. Relaxation in vacancies is also considered. The charged state energy shift (as computed by a modified Haldane-Anderson model) can be twice that caused by relaxation. However, different charged states for vacancies had little effect on the formation energy. For all cases the authors considered the concentration of Cd or Zn in the range appropriate for a band gap of 0.1 eV. The emphasis of their calculation is on chemical trends. Only limited comparison to experiment and other calculations is possible, but what there is supports the statement that their results are at least of the right order of magnitude.

  9. Laplacian-level density functionals for the kinetic energy density and exchange-correlation energy

    NASA Astrophysics Data System (ADS)

    Perdew, John P.; Constantin, Lucian A.

    2007-04-01

    We construct a Laplacian-level meta-generalized-gradient-approximation (meta-GGA) for the noninteracting (Kohn-Sham orbital) positive kinetic energy density τ of an electronic ground state of density n . This meta-GGA is designed to recover the fourth-order gradient expansion τGE4 in the appropriate slowly varying limit and the von Weizsäcker expression τW=∣∇n∣2/(8n) in the rapidly varying limit. It is constrained to satisfy the rigorous lower bound τW(r)⩽τ(r) . Our meta-GGA is typically a strong improvement over the gradient expansion of τ for atoms, spherical jellium clusters, jellium surfaces, the Airy gas, Hooke’s atom, one-electron Gaussian density, quasi-two-dimensional electron gas, and nonuniformly scaled hydrogen atom. We also construct a Laplacian-level meta-GGA for exchange and correlation by employing our approximate τ in the Tao-Perdew-Staroverov-Scuseria (TPSS) meta-GGA density functional. The Laplacian-level TPSS gives almost the same exchange-correlation enhancement factors and energies as the full TPSS, suggesting that τ and ∇2n carry about the same information beyond that carried by n and ∇n . Our kinetic energy density integrates to an orbital-free kinetic energy functional that is about as accurate as the fourth-order gradient expansion for many real densities (with noticeable improvement in molecular atomization energies), but considerably more accurate for rapidly varying ones.

  10. Energy transfer and energy level decay processes in Tm{sup 3+}-doped tellurite glass

    SciTech Connect

    Gomes, Laercio; Lousteau, Joris; Milanese, Daniel; Scarpignato, Gerardo C.; Jackson, Stuart D.

    2012-03-15

    The primary excited state decay and energy transfer processes in singly Tm{sup 3+}-doped TeO{sub 2}:ZnO:Bi{sub 2}O{sub 3}:GeO{sub 2} (TZBG) glass relating to the {sup 3}F{sub 4}{yields}{sup 3}H{sub 6}{approx}1.85 {mu}m laser transition have been investigated in detail using time-resolved fluorescence spectroscopy. Selective laser excitation of the {sup 3}H{sub 4} manifold at 794 nm, the {sup 3}H{sub 5} manifold at 1220 nm, and {sup 3}F{sub 4} manifold at 1760 nm has established that the {sup 3}H{sub 5} manifold is entirely quenched by multiphonon relaxation in tellurite glass. The luminescence from the {sup 3}H{sub 4} manifold with an emission peak at 1465 nm suffers strong suppression due to cross relaxation that populates the {sup 3}F{sub 4} level with a near quadratic dependence on the Tm{sup 3+} concentration. The {sup 3}F{sub 4} lifetime becomes longer as the Tm{sup 3+} concentration increases due to energy migration and decreases to 2.92 ms when [Tm{sup 3+}] = 4 mol. % as a result of quasi-resonant energy transfer to free OH{sup -} radicals present in the glass at concentrations between 1 x 10{sup 18} cm{sup -3} and 2 x 10{sup 18} cm{sup -3}. Judd-Ofelt theory in conjunction with absorption measurements were used to obtain the radiative lifetimes and branching ratios of the energy levels located below 25 000 cm{sup -1}. The spectroscopic parameters, the cross relaxation and Tm{sup 3+}({sup 3}F{sub 4}) {yields} OH{sup -} energy transfer rates were used in a numerical model for laser transitions emitting at 2335 nm and 1865 nm.

  11. Developing Conservation Attitudes and Energy Concepts in Individuals of Various Cognitive Levels, Using the Energy Environment Simulator.

    ERIC Educational Resources Information Center

    Cartwright, Dennis D.; Heikkinen, Michael W.

    Reported is a study of the effectiveness of the Energy Environment Simulator (EES) in developing energy awareness and positive attitudes towards energy issues in students at various levels of cognitive development. The EES is a portable computer model of U.S. energy resources, environmental quality and food distribution. Subjects were students…

  12. ARRA-Multi-Level Energy Storage and Controls for Large-Scale Wind Energy Integration

    SciTech Connect

    David Wenzhong Gao

    2012-09-30

    The Project Objective is to design innovative energy storage architecture and associated controls for high wind penetration to increase reliability and market acceptance of wind power. The project goals are to facilitate wind energy integration at different levels by design and control of suitable energy storage systems. The three levels of wind power system are: Balancing Control Center level, Wind Power Plant level, and Wind Power Generator level. Our scopes are to smooth the wind power fluctuation and also ensure adequate battery life. In the new hybrid energy storage system (HESS) design for wind power generation application, the boundary levels of the state of charge of the battery and that of the supercapacitor are used in the control strategy. In the controller, some logic gates are also used to control the operating time durations of the battery. The sizing method is based on the average fluctuation of wind profiles of a specific wind station. The calculated battery size is dependent on the size of the supercapacitor, state of charge of the supercapacitor and battery wear. To accommodate the wind power fluctuation, a hybrid energy storage system (HESS) consisting of battery energy system (BESS) and super-capacitor is adopted in this project. A probability-based power capacity specification approach for the BESS and super-capacitors is proposed. Through this method the capacities of BESS and super-capacitor are properly designed to combine the characteristics of high energy density of BESS and the characteristics of high power density of super-capacitor. It turns out that the super-capacitor within HESS deals with the high power fluctuations, which contributes to the extension of BESS lifetime, and the super-capacitor can handle the peaks in wind power fluctuations without the severe penalty of round trip losses associated with a BESS. The proposed approach has been verified based on the real wind data from an existing wind power plant in Iowa. An

  13. Spectra, energy levels, and energy transition of lanthanide complexes with cinnamic acid and its derivatives.

    PubMed

    Zhou, Kaining; Feng, Zhongshan; Shen, Jun; Wu, Bing; Luo, Xiaobing; Jiang, Sha; Li, Li; Zhou, Xianju

    2016-04-05

    High resolution spectra and luminescent lifetimes of 6 europium(III)-cinnamic acid complex {[Eu2L6(DMF)(H2O)]·nDMF·H2O}m (L=cinnamic acid I, 4-methyl-cinnamic acid II, 4-chloro-cinnamic acid III, 4-methoxy-cinnamic acid IV, 4-hydroxy-cinnamic acid V, 4-nitro-cinnamic acid VI; DMF=N, N-dimethylformamide, C3H7NO) were recorded from 8 K to room temperature. The energy levels of Eu(3+) in these 6 complexes are obtained from the spectra analysis. It is found that the energy levels of the central Eu(3+) ions are influenced by the nephelauxetic effect, while the triplet state of ligand is lowered by the p-π conjugation effect of the para-substituted functional groups. The best energy matching between the ligand triplet state and the central ion excited state is found in complex I. While the other complexes show poorer matching because the gap of (5)D0 and triplet state contracts.

  14. Spectra, energy levels, and energy transition of lanthanide complexes with cinnamic acid and its derivatives

    NASA Astrophysics Data System (ADS)

    Zhou, Kaining; Feng, Zhongshan; Shen, Jun; Wu, Bing; Luo, Xiaobing; Jiang, Sha; Li, Li; Zhou, Xianju

    2016-04-01

    High resolution spectra and luminescent lifetimes of 6 europium(III)-cinnamic acid complex {[Eu2L6(DMF)(H2O)]·nDMF·H2O}m (L = cinnamic acid I, 4-methyl-cinnamic acid II, 4-chloro-cinnamic acid III, 4-methoxy-cinnamic acid IV, 4-hydroxy-cinnamic acid V, 4-nitro-cinnamic acid VI; DMF = N, N-dimethylformamide, C3H7NO) were recorded from 8 K to room temperature. The energy levels of Eu3 + in these 6 complexes are obtained from the spectra analysis. It is found that the energy levels of the central Eu3 + ions are influenced by the nephelauxetic effect, while the triplet state of ligand is lowered by the p-π conjugation effect of the para-substituted functional groups. The best energy matching between the ligand triplet state and the central ion excited state is found in complex I. While the other complexes show poorer matching because the gap of 5D0 and triplet state contracts.

  15. Ab initio potential energy surface and vibration-rotation energy levels of beryllium monohydroxide.

    PubMed

    Koput, Jacek

    2017-01-05

    The accurate potential energy surface of beryllium monohydroxide, BeOH, in its ground electronic state X 2A' has been determined from ab initio calculations using the coupled-cluster approach in conjunction with the correlation-consistent core-valence basis sets up to septuple-zeta quality. The higher-order electron correlation, scalar relativistic, and adiabatic effects were taken into account. The BeOH molecule was confirmed to be bent at equilibrium, with the BeOH angle of 141.2° and the barrier to linearity of 129 cm(-1) . The vibration-rotation energy levels of the BeOH and BeOD isotopologues were predicted using a variational approach and compared with recent experimental data. The results can be useful in a further analysis of high-resolution vibration-rotation spectra of these interesting species. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  16. Ab initio potential energy surface and vibration-rotation energy levels of sulfur dioxide.

    PubMed

    Koput, Jacek

    2017-05-05

    An accurate potential energy surface of sulfur dioxide, SO2 , in its ground electronic state X∼ 1A1 has been determined from ab initio calculations using the coupled-cluster approach in conjunction with the correlation-consistent basis sets up to septuple-zeta quality. The results obtained with the conventional and explicitly correlated coupled-cluster methods are compared. The role of the core-electron correlation, higher-order valence-electron correlation, scalar relativistic, and adiabatic effects in determining the structure and dynamics of the SO2 molecule is discussed. The vibration-rotation energy levels of the (32) SO2 and (34) SO2 isotopologues were predicted using a variational approach. It was shown that the inclusion of the aforementioned effects was mandatory to attain the "spectroscopic" accuracy. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  17. Okeechobee County Energy Education Activities--Middle School Level.

    ERIC Educational Resources Information Center

    Allen, Rodney F., Ed.

    Over 60 energy education activities related to mathematics, science, social studies, and English comprise this manual for middle school teachers. Included are issues for discussion, puzzles, science investigations, story writing exercises, and energy cost calculation problems. Among the topics covered in these lessons are energy consumption…

  18. Superconductive magnetic energy storage for electric utility load leveling

    SciTech Connect

    Eyssa, Y.M.; Boom, R.W.; Hartwig, K.T.; McIntosh, G.E.; Van Sciver, S.W.; Bischke, R.F.

    1981-08-01

    An assessment of the value of superconductive magnetic energy storage (SMES) for electric utilities is given, with the Wisconsin utility electric power system as an example. It is shown that SMES is superior to all othe forms of energy storage in regard to efficiency of storage, speed for response and amount of energy which can be economically cycled through storage. 7 refs.

  19. Oxygen consumption and energy expenditure of level versus downhill running.

    PubMed

    Robergs, R A; Wagner, D R; Skemp, K M

    1997-09-01

    The purpose of this study was to assess and compare submaximal oxygen consumption (VO2) and energy expenditure (kJ) while running at 0, -1.8, -3.6, and -5.4% grades for three individually selected running speeds (9.4 + 0.79, 10.3 + 0.74, 11.3 + 0.73 km.h-1). Subjects completed the four grade conditions in random order via a modified Latin squares design at three self-selected submaximal running speeds for each condition. Thirteen (5 females and 8 males) recreational (< 35 km.wk-1) runners (age: 27.7 +/- 4.3 yrs) volunteered for the study. Two-way repeated measures ANOVA (Grade x Speed) was used to analyze steady-state VO2 and kJ expenditure. Stepwise linear multiple regression was used to develop an equation for predicting VO2 for running at recreational speeds on moderately negative grades. VO2 and kJ mean values were significantly different between all speed and % grade comparisons. Compared to level grade, the average reductions in VO2 and kJ expenditure ranged from approximately 9% at a grade of -1.8% to 22% at a grade of -5.4%. The relationship between VO2 and % grade for each running speed was linear. For a given speed, running at a modest negative grade can significantly decrease VO2 and kJ expenditure compared to level running. The following regression equation can be used to estimate VO2 (ml.kg-1.min-1) for running at recreational speeds on slight downhills: VO2 = 6.8192 + 0.1313 (speed in m.min-1) + 1.2367 (% grade).

  20. Steering quantum transitions between three crossing energy levels

    SciTech Connect

    Ivanov, S. S.; Vitanov, N. V.

    2008-02-15

    We calculate the propagator and the transition probabilities for a coherently driven three-state quantum system. The energies of the three states change linearly in time, whereas the interactions between them are pulse shaped. We derive a highly accurate analytic approximation by assuming independent pairwise Landau-Zener transitions occurring instantly at the relevant avoided crossings, and adiabatic evolution elsewhere. Quantum interferences are identified, which occur due to different possible evolution paths in Hilbert space between an initial and a final state. A detailed comparison with numerical results for Gaussian-shaped pulses demonstrates a remarkable accuracy of the analytic approximation. We use the analytic results to derive estimates for the half-width of the excitation profile, and for the parameters required for creation of a maximally coherent superposition of the three states. These results are of potential interest in ladder climbing in alkali-metal atoms by chirped laser pulses, in quantum rotors, in transitions between Zeeman sublevels of a J=1 level in a magnetic field, and in control of entanglement of a pair of spin-1/2 particles. The results for the three-state system can be generalized, without essential difficulties, to higher dimensions.

  1. Quantifying the Level of Cross-State Renewable Energy Transactions

    SciTech Connect

    Jenny Heeter, Philipp Beiter, Francisco Flores-Espino, David Hurlbut, Chang Liu

    2015-02-01

    This analysis provides first-ever assessment of the extent to which renewable energy is crossing state borders to be used to meet renewable portfolio standard (RPS) requirements. Two primary methods for data collection are Renewable Energy Certificate (REC) tracking and power flow estimates. Data from regional REC tracking systems, state agencies, and utility compliance reports help understand how cross-state transactions have been used to meet RPS compliance. Data on regional renewable energy flow use generator-specific information primarily sourced from EIA, SNL Energy, and FERC Form 1 filings. The renewable energy examined through this method may or may not have actually been used to meet RPS compliance.

  2. New Perspective on Formation Energies and Energy Levels of Point Defects in Nonmetals

    NASA Astrophysics Data System (ADS)

    Ramprasad, R.; Zhu, H.; Rinke, Patrick; Scheffler, Matthias

    2012-02-01

    We propose a powerful scheme to accurately determine the formation energy and thermodynamic charge transition levels of point defects in nonmetals. Previously unknown correlations between defect properties and the valence-band width of the defect-free host material are identified allowing for a determination of the former via an accurate knowledge of the latter. These correlations are identified through a series of hybrid density-functional theory computations and an unbiased exploration of the parameter space that defines the Hyde-Scuseria-Ernzerhof family of hybrid functionals. The applicability of this paradigm is demonstrated for point defects in Si, Ge, ZnO, and ZrO2.

  3. Clean Energy Policy Analyses. Analysis of the Status and Impact of Clean Energy Policies at the Local Level

    SciTech Connect

    Busche, S.

    2010-12-01

    This report takes a broad look at the status of local clean energy policies in the United States to develop a better understanding of local clean energy policy development and the interaction between state and local policies. To date, the majority of clean energy policy research focuses on the state and federal levels. While there has been a substantial amount of research on local level climate change initiatives, this is one of the first analyses of clean energy policies separate from climate change initiatives. This report is one in a suite of reports analyzing clean energy and climate policy development at the local, state, and regional levels.

  4. Clean Energy Policy Analyses: Analysis of the Status and Impact of Clean Energy Policies at the Local Level

    SciTech Connect

    Busche, S.

    2010-12-01

    This report takes a broad look at the status of local clean energy policies in the United States to develop a better understanding of local clean energy policy development and the interaction between state and local policies. To date, the majority of clean energy policy research focuses on the state and federal levels. While there has been a substantial amount of research on local level climate change initiatives, this is one of the first analyses of clean energy policies separate from climate change initiatives. This report is one in a suite of reports analyzing clean energy and climate policy development at the local, state, and regional levels.

  5. City-Level Energy Decision Making. Data Use in Energy Planning, Implementation, and Evaluation in U.S. Cities

    SciTech Connect

    Aznar, Alexandra; Day, Megan; Doris, Elizabeth; Mathur, Shivani; Donohoo-Vallett, Paul

    2015-07-08

    The Cities-LEAP technical report, City-Level Energy Decision Making: Data Use in Energy Planning, Implementation, and Evaluation in U.S. Cities, explores how a sample of cities incorporates data into making energy-related decisions. This report provides the foundation for forthcoming components of the Cities-LEAP project that will help cities improve energy decision making by mapping specific city energy or climate policies and actions to measurable impacts and results.

  6. Energy levels and transition probability matrix elements of ruby for maser applications

    NASA Technical Reports Server (NTRS)

    Berwin, R. W.

    1971-01-01

    Program computes fine structure energy levels of ruby as a function of magnetic field. Included in program is matrix formulation, each row of which contains a magnetic field and four corresponding energy levels.

  7. Calculation of astrophysical S factor at low energy levels

    NASA Astrophysics Data System (ADS)

    Andic, Halil Ibrahim; Ozer, Okan

    2017-02-01

    Nuclear reactions are very important for the structure, evolution, nucleosynthesis and various observational manifestations of main-sequence stars, white dwarfs and neutron stars. For astrophysical applications, one needs to know value of S-factor for many reactions at low energies. The experimental measurements of cross-sections at such low energies are essentially not easily available since the Coulomb barrier. Theoretical calculations are model dependent, so that nuclear physics uncertainties of calculated S-factor can be substantial. Using the supersymmetric quantum mechanics one can obtain the supersymmetric partner potential that can vary by several orders of magnitude in the energy range of a given reaction in the calculation of S factor. Since the determination of reaction rates requires accurate values of cross sections at very low energies, then in order to eliminate the main part of the energy dependence of these cross sections one makes use of the astrophysical S-factor in Taylor Expansion series about zero-energy.

  8. Dual-Energy Computed Tomography Virtual Monoenergetic Imaging of Lung Cancer: Assessment of Optimal Energy Levels.

    PubMed

    Kaup, Moritz; Scholtz, Jan-Erik; Engler, Alexander; Albrecht, Moritz H; Bauer, Ralf W; Kerl, J Matthias; Beeres, Martin; Lehnert, Thomas; Vogl, Thomas J; Wichmann, Julian L

    2016-01-01

    The aim of the study was to evaluate objective and subjective image qualities of virtual monoenergetic imaging (VMI) in dual-source dual-energy computed tomography (DECT) and optimal kiloelectron-volt (keV) levels for lung cancer. Fifty-nine lung cancer patients underwent chest DECT. Images were reconstructed as VMI series at energy levels of 40, 60, 80, and 100 keV and standard linear blending (M_0.3) for comparison. Objective and subjective image qualities were assessed. Lesion contrast peaked in 40-keV VMI reconstructions (2.5 ± 2.9) and 60 keV (1.9 ± 3.0), which was superior to M_0.3 (0.5 ± 2.7) for both comparisons (P < 0.001). Compared with M_0.3, subjective ratings were highest for 60-keV VMI series regarding general image quality (4.48 vs 4.52; P = 0.74) and increased for lesion demarcation (4.07 vs 4.84; P < 0.001), superior to all other VMI series (P < 0.001). Image sharpness was similar between both series. Image noise was rated superior in the 80-keV and M_0.3 series, followed by 60 keV. Virtual monoenergetic imaging reconstructions at 60-keV provided the best combination of subjective and objective image qualities in DECT of lung cancer.

  9. Hadron intensity and energy spectrum at 4380 m above level

    NASA Technical Reports Server (NTRS)

    Cananov, S. D.; Chadranyan, E. K.; Khizanishvili, L. A.; Ladaria, N. K.; Roinishvili, N. N.

    1985-01-01

    The flux value of hadrons with E (sup gamma) h or = 5 TeV, where E (sup gamma) h or = is the energy transferred into electromagnetic component is presented. It is shown that the energy spectrum slope beta of hadrons with E h or = 20 TeV is equal to 1.9.

  10. Highlands County Energy Education Activities--High School Level.

    ERIC Educational Resources Information Center

    Allen, Rodney F., Ed.

    Presented are five instructional units, developed by the Tri-County Teacher Education Center, for the purpose of educating secondary school students on Florida's unique energy problems. Unit one provides a series of value clarification and awareness activities as an introduction to energy. Unit two uses mathematics exercises to examine energy…

  11. Highlands County Energy Education Activities--High School Level.

    ERIC Educational Resources Information Center

    Allen, Rodney F., Ed.

    Presented are five instructional units, developed by the Tri-County Teacher Education Center, for the purpose of educating secondary school students on Florida's unique energy problems. Unit one provides a series of value clarification and awareness activities as an introduction to energy. Unit two uses mathematics exercises to examine energy…

  12. Department of Energy pretreatment of high-level and low-level wastes

    SciTech Connect

    McGinnis, C.P.; Hunt, R.D.

    1995-12-31

    The remediation of the 1 {times} 10{sup 8} gal of highly radioactive waste in the underground storage tanks (USTs) at five US Department of Energy (DOE) sites is one of DOE`s greatest challenges. Therefore, the DOE Office of Environmental Management has created the Tank Focus Area (TFA) to manage an integrated technology development program that results in the safe and efficient remediation of UST waste. The TFA has divided its efforts into five areas, which are safety, characterization, retrieval/closure, pretreatment, and immobilization. All DOE pretreatment activities are integrated by the Pretreatment Technical Integration Manager of the TFA. For FY 1996, the 14 pretreatment tasks are divided into 3 systems: supernate separations, sludge treatment, and solid/liquid separation. The plans and recent results of these TFA tasks, which include two 25,000-gal demonstrations and two former TFA tasks on Cs removal, are presented. The pretreatment goals are to minimize the volume of high-level waste and the radioactivity in low-level waste.

  13. Energy Spectroscopy of Andreev Levels between Two Superconductors

    SciTech Connect

    Morpurgo, A.F.; van Wees, B.J.; Klapwijk, T.M.; Borghs, G.

    1997-11-01

    We perform energy spectroscopy of Andreev reflection processes occurring at two superconducting electrodes connected in series via a ballistic two dimensional channel, by measuring the voltage dependence of that part of the conductance modulated by the macroscopic phase difference. The amplitude of the modulation oscillates as a function of energy and the phase exhibits an abrupt shift close to {pi} at the energy for which the amplitude is minimum. A microscopic theoretical description ascribes the phenomenon to the precursor of a bound state formed between the two superconductors. {copyright} {ital 1997} {ital The American Physical Society}

  14. Semiclassical energy levels and the corresponding potentials in nonhydrogenic ions

    NASA Astrophysics Data System (ADS)

    Pankratov, P.; Meyer-Ter-Vehn, J.

    1992-11-01

    A semiclassical expression is derived for the potential seen by an nl-shell electron in a nonhydrogenic ion. Corresponding energies Enl are compared with experimental values and with results of self-consistent-field calculations.

  15. Framework for State-Level Renewable Energy Market Potential Studies

    EPA Pesticide Factsheets

    This document provides a framework and next steps for state officials who require estimates of renewable energy market potential. The report gives insight into how to conduct a market potential study.

  16. Calculation of the energy levels of lithium-like ions

    NASA Astrophysics Data System (ADS)

    Nadykto, B. A.

    An attempt is made to develop a straightforward and sufficiently accurate method for calculating the energies of complex ion states. The method is based on Bohr's computational model and Sommerfeld's model in relativistic form (for circular orbits only). The method proposed here makes it possible to calculate excited ion states having different atomic and quantum numbers. A similar method can be used for calculating the energies of ion states with the number of electrons exceeding three.

  17. New perspective on formation energies and energy levels of point defects in non-metals

    NASA Astrophysics Data System (ADS)

    Zhu, Hong; Rinke, Patrick; Scheffler, Matthias; Ramprasad, Rampi

    2012-02-01

    We propose a powerful scheme to accurately determine the formation energy and thermodynamic charge transition levels of point defects in non-metals. Previously unknown correlations between defect properties and the valence-band width of the defect-free host material are identified allowing for a determination of the former via an accurate knowledge of the latter. These correlations are identified through a series of hybrid density functional theory computations and an unbiased exploration of the parameter space that defines the Hyde-Scuseria-Ernzerhof family of hybrid-functionals. The applicability of this paradigm is demonstrated for point defects in several insulators, including Si, Ge, ZrO2 and ZnO

  18. Analytic energy-level densities of separable harmonic oscillators including approximate hindered rotor corrections

    NASA Astrophysics Data System (ADS)

    Döntgen, M.

    2016-09-01

    Energy-level densities are key for obtaining various chemical properties. In chemical kinetics, energy-level densities are used to predict thermochemistry and microscopic reaction rates. Here, an analytic energy-level density formulation is derived using inverse Laplace transformation of harmonic oscillator partition functions. Anharmonic contributions to the energy-level density are considered approximately using a literature model for the transition from harmonic to free motions. The present analytic energy-level density formulation for rigid rotor-harmonic oscillator systems is validated against the well-studied CO+O˙ H system. The approximate hindered rotor energy-level density corrections are validated against the well-studied H2O2 system. The presented analytic energy-level density formulation gives a basis for developing novel numerical simulation schemes for chemical processes.

  19. Energy Levels and the de Broglie Relationship for High School Students

    ERIC Educational Resources Information Center

    Gianino, Concetto

    2008-01-01

    In this article, four examples of possible lessons on energy levels for high school are described: a particle in a box, a finite square well, the hydrogen atom and a harmonic oscillator. The energy levels are deduced through the use of the steady-state condition and the de Broglie relationship. In particular, the harmonic oscillator energy levels…

  20. Energy Levels and the de Broglie Relationship for High School Students

    ERIC Educational Resources Information Center

    Gianino, Concetto

    2008-01-01

    In this article, four examples of possible lessons on energy levels for high school are described: a particle in a box, a finite square well, the hydrogen atom and a harmonic oscillator. The energy levels are deduced through the use of the steady-state condition and the de Broglie relationship. In particular, the harmonic oscillator energy levels…

  1. A Quantum Model of Atoms (the Energy Levels of Atoms).

    ERIC Educational Resources Information Center

    Rafie, Francois

    2001-01-01

    Discusses the model for all atoms which was developed on the same basis as Bohr's model for the hydrogen atom. Calculates the radii and the energies of the orbits. Demonstrates how the model obeys the de Broglie's hypothesis that the moving electron exhibits both wave and particle properties. (Author/ASK)

  2. Teaching Field Concept and Potential Energy at A-Level.

    ERIC Educational Resources Information Center

    Poon, C. H.

    1986-01-01

    Argues for a greater emphasis on the reality of fields in electronics and gravitation instruction. Advocates that the potential energy in a system be regarded as stored in the field rather than in the material bodies of the system. Provides a rationale and examples for this position. (ML)

  3. Teaching Field Concept and Potential Energy at A-Level.

    ERIC Educational Resources Information Center

    Poon, C. H.

    1986-01-01

    Argues for a greater emphasis on the reality of fields in electronics and gravitation instruction. Advocates that the potential energy in a system be regarded as stored in the field rather than in the material bodies of the system. Provides a rationale and examples for this position. (ML)

  4. A Quantum Model of Atoms (the Energy Levels of Atoms).

    ERIC Educational Resources Information Center

    Rafie, Francois

    2001-01-01

    Discusses the model for all atoms which was developed on the same basis as Bohr's model for the hydrogen atom. Calculates the radii and the energies of the orbits. Demonstrates how the model obeys the de Broglie's hypothesis that the moving electron exhibits both wave and particle properties. (Author/ASK)

  5. Orbital Energy Levels in Molecular Hydrogen. A Simple Approach.

    ERIC Educational Resources Information Center

    Willis, Christopher J.

    1988-01-01

    Described are the energetics involved in the formation of molecular hydrogen using concepts that should be familiar to students beginning the study of molecular orbital theory. Emphasized are experimental data on ionization energies. Included are two-electron atomic and molecular systems. (CW)

  6. Decreased energy levels can cause and sustain obesity.

    PubMed

    Wlodek, Danuta; Gonzales, Michael

    2003-11-07

    Obesity has reached epidemic proportions and has become one of the major health problems in developed countries. Current theories consider obesity a result of overeating and sedentary life style and most efforts to treat or prevent weight gain concentrate on exercise and food intake. This approach does not improve the situation as may be seen from the steep increase in the prevalence of obesity. This encouraged us to reanalyse existing information and look for biochemical basis of obesity. Our approach was to ignore current theories and concentrate on experimental data which are described in scientific journals and are available from several databases. We developed and applied a Knowledge Discovery in Databases procedure to analyse metabolic data. We began with the contradictory information: in obesity, more calories are consumed than used up, suggesting that obese people should have excess energy. On the other side, obese people experience fatigue and decreased physical endurance that indicates diminished energy supply in the body. The result of our work is a chain of metabolic events leading to obesity. The crucial event is the inhibition of the TCA cycle at the step of aconitase. It disturbs energy metabolism and results in ATP deficiency with simultaneous fat accumulation. Further steps in obesity development are the consequences of diminished energy supply: inhibition of beta-oxidation, leptin resistance, increase in appetite and food intake and a decrease in physical activity. Thus, our theory shows that obesity does not have to be caused by overeating and sedentary life-style but may be the result of the "obese" change in metabolism which is forcing people to overeat and save energy to sustain metabolic functions of cells. This "obese" change is caused by environmental factors that activate chronic low-grade inflammatory process in the body linking obesity with the environment of developed countries.

  7. Energy balance regulation by endocannabinoids at central and peripheral levels.

    PubMed

    Quarta, Carmelo; Mazza, Roberta; Obici, Silvana; Pasquali, Renato; Pagotto, Uberto

    2011-09-01

    Dysregulation of the endocannabinoid system (ECS) is a universal and, perhaps, causative feature of obesity. Central nervous system (CNS) circuits that regulate food intake were initially believed to be the targets for dysregulation. However, it is increasingly evident that endocannabinoids affect food intake, energy expenditure and substrate metabolism by acting on peripheral sites. Cannabinoid type 1 receptor (CB1r) antagonists can effectively treat obesity and associated metabolic alterations but, unfortunately, cause and exacerbate mood disorders. Drugs restricted to act on peripheral CB1rs might be safer and more effective, retaining the anti-obesity effects but lacking the adverse neurodepressive reactions. This review summarizes the emerging roles of the ECS in energy balance and discusses future pharmacological approaches for developing peripherally restricted CB1r antagonists.

  8. Optimization of energy level for coronary angiography with dual-energy and dual-source computed tomography.

    PubMed

    Okayama, Satoshi; Seno, Ayako; Soeda, Tsunenari; Takami, Yasuhiro; Kawakami, Rika; Somekawa, Satoshi; Ishigami, Ken-Ichi; Takeda, Yukiji; Kawata, Hiroyuki; Horii, Manabu; Uemura, Shiro; Saito, Yoshihiko

    2012-04-01

    Dual-energy computed tomography (DE-CT) uses polyenergetic X-rays at 100- and 140-kVp tube energy, and generates 120-kVp composite images that are referred to as polyenergetic images (PEIs). Moreover, DE-CT can produce monoenergetic images (MEIs) at any effective energy level. We evaluated whether the image quality of coronary angiography is improved by optimizing the energy levels of DE-CT. We retrospectively evaluated data sets obtained from 24 consecutive patients using cardiac DE-CT at 100- and 140-kVp tube energy with a dual-source scanner. Signal-to-noise ratios (SNRs) were evaluated in the left ascending coronary artery in PEIs, and in MEIs reconstructed at 40, 50, 60, 70, 80, 90, 100, 130, 160 and 190 keV. Energy levels of 100, 120 and 140 kVp generated the highest SNRs in PEIs from 10, 12 and 2 patients, respectively, at 60, 70 and 80 keV in MEIs from 2, 10 and 10 patients, respectively, and at 90 and 100 keV in those from one patient each. Optimization of the energy level for each patient increased the SNR by 16.6% in PEIs (P < 0.0001) and by 18.2% in MEIs (P < 0.05), compared with 120-kVp composite images. The image quality of coronary angiography using DE-CT can be improved by optimizing the energy level for individual patients.

  9. Energy levels of isoelectronic impurities by large scale LDA calculations

    SciTech Connect

    Li, Jingbo; Wang, Lin-Wang

    2002-11-22

    Isoelectronic impurity states are localized states induced by stoichiometric single atom substitution in bulk semiconductor. Photoluminescence spectra indicate deep impurity levels of 0.5 to 0.9eV above the top of valence band for systems like: GaN:As, GaN:P, CdS:Te, ZnS:Te. Previous calculations based on small supercells seemingly confirmed these experimental results. However, the current ab initio calculations based on thousand atom supercells indicate that the impurity levels of the above systems are actually much shallower(0.04 to 0.23 eV), and these impurity levels should be compared with photoluminescence excitation spectra, not photoluminescence spectra.

  10. Binding energy levels of a slowly moving ion in dusty plasmas

    NASA Astrophysics Data System (ADS)

    Hu, Hongwei; Li, Fuli

    2013-02-01

    The near field electric potential of a slowly moving ion in complex plasmas is studied. We find that the potential consists of the Debye-Hückel potential, the wake potential, and the potential associated with charge fluctuations. The binding energy levels of the ion are calculated by use of the Ritz variation method. The results show that the binding energy levels are related to the magnetic quantum number m. The binding energy levels are affected by speed of the ion and dust grain number density. In contract to isolated ion or static ion in plasmas, the binding energy levels of the ion are pushed up and even become unbounded.

  11. Element levels in birch and spruce wood ashes: green energy?

    PubMed

    Reimann, Clemens; Ottesen, Rolf Tore; Andersson, Malin; Arnoldussen, Arnold; Koller, Friedrich; Englmaier, Peter

    2008-04-15

    Production of wood ash has increased strongly in the last ten years due to the increasing popularity of renewable and CO(2)-neutral heat and energy production via wood burning. Wood ashes are rich in many essential plant nutrients. In addition they are alkaline. The idea of using the waste ash as fertiliser in forests is appealing. However, wood is also known for its ability to strongly enrich certain heavy metals from the underlying soils, e.g. Cd, without any anthropogenic input. Concentrations of 26 chemical elements (Ag, As, Au, B, Ba, Ca, Cd, Co, Cr, Cu, Fe, Hg, K, La, Mg, Mn, Mo, Na, Ni, P, Pb, S, Sb, Sr, Ti, and Zn) in 40 samples each of birch and spruce wood ashes collected along a 120 km long transect in southern Norway are reported. The observed maximum concentrations are 1.3 wt.% Pb, 4.4 wt.% Zn and 203 mg/kg Cd in birch wood ashes. Wood ashes can thus contain very high heavy metal concentrations. Spreading wood ashes in a forest is a major anthropogenic interference with the natural biogeochemical cycles. As with the use of sewage sludge in agriculture the use of wood ashes in forests clearly needs regulation.

  12. Energy conversion modeling of the intrinsic persistent luminescence of solids via energy transfer paths between transition levels.

    PubMed

    Huang, Bolong; Sun, Mingzi

    2017-04-05

    An energy conversion model has been established for the intrinsic persistent luminescence in solids related to the native point defect levels, formations, and transitions. In this study, we showed how the recombination of charge carriers between different defect levels along the zero phonon line (ZPL) can lead to energy conversions supporting the intrinsic persistent phosphorescence in solids. This suggests that the key driving force for this optical phenomenon is the pair of electrons hopping between different charged defects with negative-Ueff. Such a negative correlation energy will provide a sustainable energy source for electron-holes to further recombine in a new cycle with a specific quantum yield. This will help us to understand the intrinsic persistent luminescence with respect to native point defect levels as well as the correlations of electronics and energetics.

  13. Wind energy development in the United States: Can state-level policies promote efficient development of wind energy capacity?

    NASA Astrophysics Data System (ADS)

    Goldstein, Blair S.

    In the absence of strong U.S. federal renewable energy policies, state governments have taken the lead in passing legislation to promote wind energy. Studies have shown that many of these policies, including Renewable Portfolio Standards (RPS), have aided in the development of wind energy capacity nationwide. This paper seeks to analyze whether these state-level policies have led to an efficient development of U.S. wind energy. For the purposes of this paper, wind energy development is considered efficient if competitive markets enable wind capacity to be built in the most cost effective manner, allowing states to trade wind energy between high wind potential states and low wind potential states. This concept is operationalized by analyzing how state policies that incentivize the in-state development of wind energy impact where wind capacity is developed. A multivariate regression model examining wind capacity in the 48 contiguous United States that had some wind capacity between 1999 and 2008 found these in-state policies are associated with increased wind capacity, controlling for states' wind potential. The results suggest that state-level policies are distorting where wind is developed. These findings support the enactment of a more comprehensive federal energy policy, such as a national RPS, a cap-and-trade program, or a targeted federal transmission policy. These federal policies could spur national markets that would result in the more efficient development of U.S. wind energy.

  14. North Dakota Industrial Arts Teachers Handbook. Energy/Power Curriculum Guide, Level I.

    ERIC Educational Resources Information Center

    Mugan, Don

    This handbook provides teachers with support material to more fully implement the North Dakota Energy and Power Curriculum Guide, Level I. It first presents the body of knowledge for Energy/Power Technology as taken from the curriculum guide. The guide is then addressed unit by unit, topic by topic. These seven units are covered: Energy/Power…

  15. North Dakota Industrial Arts Teachers Handbook. Energy/Power Curriculum Guide, Level I.

    ERIC Educational Resources Information Center

    Mugan, Don

    This handbook provides teachers with support material to more fully implement the North Dakota Energy and Power Curriculum Guide, Level I. It first presents the body of knowledge for Energy/Power Technology as taken from the curriculum guide. The guide is then addressed unit by unit, topic by topic. These seven units are covered: Energy/Power…

  16. Quantifying the Level of Cross-State Renewable Energy Transactions (Presentation)

    SciTech Connect

    Heeter, J.; Beiter, P.; Flores, F.; Hurlbut, D.; Liu, C.

    2015-02-01

    This presentation and associated spreadsheet examine the level of cross-state renewable energy transactions. Most state renewable portfolio standard (RPS) policies allow for out-of-state renewable energy or renewable energy certificates to count towards compliance. This analysis focuses on compliance for 2012 and provides stakeholders with an understanding of the extent to which RPSs are being met.

  17. 24 CFR 990.185 - Utilities expense level: Incentives for energy conservation/rate reduction.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... for energy conservation/rate reduction. 990.185 Section 990.185 Housing and Urban Development... Calculating Formula Expenses § 990.185 Utilities expense level: Incentives for energy conservation/rate reduction. (a) General/consumption reduction. If a PHA undertakes energy conservation measures that...

  18. 24 CFR 990.185 - Utilities expense level: Incentives for energy conservation/rate reduction.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... for energy conservation/rate reduction. 990.185 Section 990.185 Housing and Urban Development... Calculating Formula Expenses § 990.185 Utilities expense level: Incentives for energy conservation/rate reduction. (a) General/consumption reduction. If a PHA undertakes energy conservation measures that...

  19. 24 CFR 990.185 - Utilities expense level: Incentives for energy conservation/rate reduction.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... for energy conservation/rate reduction. 990.185 Section 990.185 Housing and Urban Development... Calculating Formula Expenses § 990.185 Utilities expense level: Incentives for energy conservation/rate reduction. (a) General/consumption reduction. If a PHA undertakes energy conservation measures that...

  20. Measurements of ultrasonic pulse arrival time and energy level variations produced by propagation through abdominal wall.

    PubMed

    Hinkelman, L M; Liu, D L; Metlay, L A; Waag, R C

    1994-01-01

    Ultrasonic pulse arrival time and energy level variations introduced by propagation through human abdominal wall specimens have been measured. A hemispheric transducer transmitted an ultrasonic pulse that was detected by a linear array transducer after propagation through an abdominal wall section. The array was translated in the elevation direction to collect data over a two-dimensional aperture. Differences in arrival time and energy level between the measured waveforms and calculated references that account for geometric delay and spreading were found. Plots of waveforms compensated for geometric path, maps of time delay differences and energy level fluctuations, and statistics derived from these for water paths and tissue paths characterize the measurement system and describe the time delay differences and energy level fluctuations caused by 14 different human abdominal wall specimens. Repeated measurements using the same specimens show that individual tissue path measurements are reproducible, the results depend on specimen position, and frozen storage of a specimen for three months does not appear to alter the time delay differences and energy level fluctuations produced by the specimen. Comparison of measurements at room and body temperature indicates that appreciably higher time delay differences occur at body temperature while energy level fluctuations and time delay difference patterns are less affected. For the 14 different abdominal wall specimens, the rms time delay differences and energy level fluctuations have average values of 43.0 ns and 3.30 dB, respectively, and the associated correlation lengths of the time delay differences and energy level fluctuations are 7.90 and 2.28 mm, respectively. The spatial patterns of time delay difference and energy level fluctuation in the reception plane appear largely uncorrelated, although some background variations in energy level fluctuation are similar to features in time delay difference maps. The results

  1. Rotation vibration energy level clustering in the XB1 ground electronic state of PH2

    NASA Astrophysics Data System (ADS)

    Yurchenko, S. N.; Thiel, W.; Jensen, Per; Bunker, P. R.

    2006-10-01

    We use previously determined potential energy surfaces for the Renner-coupled XB1 and AA1 electronic states of the phosphino (PH 2) free radical in a calculation of the energies and wavefunctions of highly excited rotational and vibrational energy levels of the X˜ state. We show how spin-orbit coupling, the Renner effect, rotational excitation, and vibrational excitation affect the clustered energy level patterns that occur. We consider both 4-fold rotational energy level clustering caused by centrifugal distortion, and vibrational energy level pairing caused by local mode behaviour. We also calculate ab initio dipole moment surfaces for the X˜ and A˜ states, and the X˜-A˜ transition moment surface, in order to obtain spectral intensities.

  2. Density and energy level of a deep-level Mg acceptor in 4H-SiC

    NASA Astrophysics Data System (ADS)

    Matsuura, Hideharu; Morine, Tatsuya; Nagamachi, Shinji

    2015-01-01

    Reliably determining the densities and energy levels of deep-level dominant acceptors in heavily doped wide-band-gap semiconductors has been a topic of recent discussion. In these discussions, the focus is on both Hall scattering factors for holes and distribution functions for acceptors. Mg acceptor levels in 4H-SiC seem to be deep, and so here the electrical properties of Mg-implanted 4H-SiC layers are studied by measuring Hall effects. The obtained Hall scattering factors are not reliable because they drop to less than 0.5 at high measurement temperatures. Moreover, the Fermi-Dirac distribution function is unsuitable for examining Mg acceptors because the obtained acceptor density is much higher than the concentration of implanted Mg atoms. However, by using a distribution function that includes the influence of the excited states of a deep-level acceptor, the density and energy level of Mg acceptors can be reliably determined.

  3. AMPK: Regulating Energy Balance at the Cellular and Whole Body Levels

    PubMed Central

    Hardie, D. Grahame; Ashford, Michael L. J.

    2014-01-01

    AMP-activated protein kinase appears to have evolved in single-celled eukaryotes as an adenine nucleotide sensor that maintains energy homeostasis at the cellular level. However, during evolution of more complex multicellular organisms, the system has adapted to interact with hormones so that it also plays a key role in balancing energy intake and expenditure at the whole body level. PMID:24583766

  4. Energy-level alignment at interfaces between manganese phthalocyanine and C60.

    PubMed

    Waas, Daniel; Rückerl, Florian; Knupfer, Martin; Büchner, Bernd

    2017-01-01

    We have used photoelectron spectroscopy to determine the energy-level alignment at organic heterojunctions made of manganese phthalocyanine (MnPc) and the fullerene C60. We show that this energy-level alignment depends upon the preparation sequence, which is explained by different molecular orientations. Moreover, our results demonstrate that MnPc/C60 interfaces are hardly suited for application in organic photovoltaic devices, since the energy difference of the two lowest unoccupied molecular orbitals (LUMOs) is rather small.

  5. Effect of temperature-dependent energy-level shifts on a semiconductor's Peltier heat

    NASA Astrophysics Data System (ADS)

    Emin, David

    1984-11-01

    The Peltier heat of a charge carrier in a semiconductor is calculated for the situation in which the electronic energy levels are temperature dependent. The temperature dependences of the electronic energy levels, generally observed optically, arise from their dependences on the vibrational energy of the lattice (e.g., as caused by thermal expansion). It has been suggested that these temperature dependences will typically have a major effect on the Peltier heat. The Peltier heat associated with a given energy level is a thermodynamic quantity; it is the product of the temperature and the change of the entropy of the system when a carrier is added in that level. As such, the energy levels cannot be treated as explicitly temperature dependent. The electron-lattice interaction causing the temperature dependence must be expressly considered. It is found that the carrier's interaction with the atomic vibrations lowers its electronic energy. However, the interaction of the carrier with the atomic vibrations also causes an infinitesimal lowering (~1N) of each of the N vibrational frequencies. As a result, there is a finite carrier-induced increase in the average vibrational energy. Above the Debye temperature, this cancels the lowering of the carrier's electronic energy. Thus, the standard Peltier-heat formula, whose derivation generally ignores the temperature dependence of the electronic energy levels, is regained. This explains the apparent success of the standard formula in numerous analyses of electronic transport experiments.

  6. Treatment of Electronic Energy Level Transition and Ionization Following the Particle-Based Chemistry Model

    NASA Technical Reports Server (NTRS)

    Liechty, Derek S.; Lewis, Mark

    2010-01-01

    A new method of treating electronic energy level transitions as well as linking ionization to electronic energy levels is proposed following the particle-based chemistry model of Bird. Although the use of electronic energy levels and ionization reactions in DSMC are not new ideas, the current method of selecting what level to transition to, how to reproduce transition rates, and the linking of the electronic energy levels to ionization are, to the author s knowledge, novel concepts. The resulting equilibrium temperatures are shown to remain constant, and the electronic energy level distributions are shown to reproduce the Boltzmann distribution. The electronic energy level transition rates and ionization rates due to electron impacts are shown to reproduce theoretical and measured rates. The rates due to heavy particle impacts, while not as favorable as the electron impact rates, compare favorably to values from the literature. Thus, these new extensions to the particle-based chemistry model of Bird provide an accurate method for predicting electronic energy level transition and ionization rates in gases.

  7. The effect of state-level funding on energy efficiency outcomes

    NASA Astrophysics Data System (ADS)

    Downs, Anna

    Increasingly, states are formalizing energy efficiency policies. In 2010, states required utilities to budget $5.5 billion through ratepayer-funded energy efficiency programs, investing in both electricity and natural gas programs. However the size and spread of energy efficiency programs was strikingly different from state to state. This paper examines how far each dollar of state-level energy efficiency funding goes in producing efficiency gains. Many states have also pursued innovative policy actions to conserve electricity. Measures of policy effort are also included in this study, along with average electricity prices. The only variable that is consistently correlated with energy usage intensity across all models is electricity price. As politicians at local, state, and Federal levels continue to push for improved energy efficiency, the models in this paper provide a convincing impetus for focusing on strategies that raise energy prices.

  8. Variational calculation of highly excited rovibrational energy levels of H2O2.

    PubMed

    Polyansky, Oleg L; Kozin, Igor N; Ovsyannikov, Roman I; Małyszek, Paweł; Koput, Jacek; Tennyson, Jonathan; Yurchenko, Sergei N

    2013-08-15

    Results are presented for highly accurate ab initio variational calculation of the rotation-vibration energy levels of H2O2 in its electronic ground state. These results use a recently computed potential energy surface and the variational nuclear-motion programs WARV4, which uses an exact kinetic energy operator, and TROVE, which uses a numerical expansion for the kinetic energy. The TROVE calculations are performed for levels with high values of rotational excitation, J up to 35. The purely ab initio calculations of the rovibrational energy levels reproduce the observed levels with a standard deviation of about 1 cm(-1), similar to that of the J = 0 calculation, because the discrepancy between theory and experiment for rotational energies within a given vibrational state is substantially determined by the error in the vibrational band origin. Minor adjustments are made to the ab initio equilibrium geometry and to the height of the torsional barrier. Using these and correcting the band origins using the error in J = 0 states lowers the standard deviation of the observed-calculated energies to only 0.002 cm(-1) for levels up to J = 10 and 0.02 cm(-1) for all experimentally known energy levels, which extend up to J = 35.

  9. Ab initio ground-state potential energy function and vibration-rotation energy levels of imidogen, NH.

    PubMed

    Koput, Jacek

    2015-06-30

    The accurate ground-state potential energy function of imidogen, NH, has been determined from ab initio calculations using the multireference averaged coupled-pair functional (MR-ACPF) method in conjunction with the correlation-consistent core-valence basis sets up to octuple-zeta quality. The importance of several effects, including electron correlation beyond the MR-ACPF level of approximation, the scalar relativistic, adiabatic, and nonadiabatic corrections were discussed. Along with the large one-particle basis set, all of these effects were found to be crucial to attain "spectroscopic" accuracy of the theoretical predictions of vibration-rotation energy levels of NH.

  10. What is the effect of physical activity level on food consumption, energy deficiency, and dietary diversity?

    PubMed

    Mathiassen, Astrid; Hollema, Siemon

    2014-09-01

    Energy deficiency is observed to be at odds with other food security indicators. In wealthier urban areas, the prevalence of energy deficiency is often higher than in poorer rural areas, whereas other food security indicators, such as food diversity, perform much better in urban than in rural areas. To investigate to what extent differences in physical activity levels influence dietary quantity and quality. Central to this analysis is the construction of a household activity index, a single measure that aims to capture the collective workload of the household. This paper uses data from Nepal and Uganda expenditure surveys that contain information on food consumption, as well as detailed information on how individual household members spend their time. Energy deficiency numbers are adjusted by the activity index, and the results are compared with the standard approach for calculating energy deficiency assuming light activity levels. Regressions are estimated to discuss demand for calories and diversity given the activity level. Accounting for differences in activity level has a large effect on energy deficiency figures, particularly in rural areas. The analysis shows that a higher household activity level significantly increases the calories consumed but lessens food diversity, suggesting that households with high activity levels sacrifice diversity for quantity in order to meet their energy requirements. Physical activity levels should be taken into account when interpreting empirical differences in food consumption levels for determining the prevalence of food insecurity and making allocation decisions for food security assistance.

  11. Energy Efficiency Policy in the United States. Overview of Trends at Different Levels of Government

    SciTech Connect

    Doris, Elizabeth; Cochran, Jaquelin; Vorum, Martin

    2009-12-01

    This report catalogs by sector--buildings, transportation, industrial, and power--energy efficiency policies at the federal, state, and local levels, and identifies some prominent policy trends. Four key findings emerged from this report: 1) leadership on energy efficiency is necessary--and is found--at each level of government; 2) there is no widely accepted methodology for evaluating energy efficiency policies; 3) coordination among the three levels of government--and across sectors--is increasingly important, and there are opportunities to significantly improve policy performance through a unified strategy; and 4) there are efficiencies to be gained by informing policies in one sector with experience from others.

  12. Energy Efficiency Policy in the United States: Overview of Trends at Different Levels of Government

    SciTech Connect

    Doris, E.; Cochran, J.; Vorum, M.

    2009-12-01

    This report catalogs by sector--buildings, transportation, industrial, and power--energy efficiency policies at the federal, state, and local levels, and identifies some prominent policy trends. Four key findings emerged from this report: 1) leadership on energy efficiency is necessary--and is found--at each level of government; 2) there is no widely accepted methodology for evaluating energy efficiency policies; 3) coordination among the three levels of government--and across sectors--is increasingly important, and there are opportunities to significantly improve policy performance through a unified strategy; and 4) there are efficiencies to be gained by informing policies in one sector with experience from others.

  13. Energy Level Alignment at Aqueous GaN and ZnO Interfaces

    NASA Astrophysics Data System (ADS)

    Hybertsen, Mark S.; Kharche, Neerav; Muckerman, James T.

    2014-03-01

    Electronic energy level alignment at semiconductor-electrolyte interfaces is fundamental to electrochemical activity. Motivated in particular by the search for new materials that can be more efficient for photocatalysis, we develop a first principles method to calculate this alignment at aqueous interfaces and demonstrate it for the specific case of non-polar GaN and ZnO interfaces with water. In the first step, density functional theory (DFT) based molecular dynamics is used to sample the physical interface structure and to evaluate the electrostatic potential step at the interface. In the second step, the GW approach is used to evaluate the reference electronic energy level separately in the bulk semiconductor (valence band edge energy) and in bulk water (the 1b1 energy level), relative to the internal electrostatic energy reference. Use of the GW approach naturally corrects for errors inherent in the use of Kohn-Sham energy eigenvalues to approximate the electronic excitation energies in each material. With this predicted interface alignment, specific redox levels in water, with potentials known relative to the 1b1 level, can then be compared to the semiconductor band edge positions. Our results will be discussed in the context of experiments in which photoexcited GaN and ZnO drive the hydrogen evolution reaction. Research carried out at Brookhaven National Laboratory under Contract No. DE-AC02-98CH10886 with the U.S. Department of Energy.

  14. Ab initio potential energy surface and vibration-rotation energy levels of silicon dicarbide, SiC2.

    PubMed

    Koput, Jacek

    2016-10-05

    The accurate ground-state potential energy surface of silicon dicarbide, SiC2 , has been determined from ab initio calculations using the coupled-cluster approach. Results obtained with the conventional and explicitly correlated coupled-cluster methods were compared. The core-electron correlation, higher-order valence-electron correlation, and scalar relativistic effects were taken into account. The potential energy barrier to the linear SiCC configuration was predicted to be 1782 cm(-1) . The vibration-rotation energy levels of the SiC2 , (29) SiC2 , (30) SiC2 , and SiC(13) C isotopologues were calculated using a variational method. The experimental vibration-rotation energy levels of the main isotopologue were reproduced to high accuracy. In particular, the experimental energy levels of the highly anharmonic vibrational ν3 mode of SiC2 were reproduced to within 6.7 cm(-1) , up to as high as the v3  = 16 state. © 2016 Wiley Periodicals, Inc.

  15. Impact behaviour of Napier/polyester composites under different energy levels

    NASA Astrophysics Data System (ADS)

    Fahmi, I.; Majid, M. S. Abdul; Afendi, M.; Haslan, M.; Helmi E., A.; M. Haameem J., A.

    2016-07-01

    The effects of different energy levels on the impact behaviour of Napier fibre/polyester reinforced composites were investigated. Napier fibre was extracted using traditional water retting process to be utilized as reinforcing materials in polyester composite laminates. 25% fibre loading composite laminates were prepared and impacted at three different energy levels; 2.5,5 and 7.5 J using an instrumented drop weight impact testing machine (IMATEK IM10). The outcomes show that peak force and contact time increase with increased impact load. The energy absorption was then calculated from the force displacement curve. The results indicated that the energy absorption decreases with increasing energy levels of the impact. Impacted specimens were observed visually for fragmentation fracture using an optical camera to identify the failure mechanisms. Fracture fragmentation pattern from permanent dent to perforation with radial and circumferential was observed.

  16. Impact behaviour of Napier/polyester composites under different energy levels

    SciTech Connect

    Fahmi, I. Majid, M. S. Abdul Afendi, M. Haameem, J. M.A.; Haslan, M. Helmi, E. A.

    2016-07-19

    The effects of different energy levels on the impact behaviour of Napier fibre/polyester reinforced composites were investigated. Napier fibre was extracted using traditional water retting process to be utilized as reinforcing materials in polyester composite laminates. 25% fibre loading composite laminates were prepared and impacted at three different energy levels; 2.5,5 and 7.5 J using an instrumented drop weight impact testing machine (IMATEK IM10). The outcomes show that peak force and contact time increase with increased impact load. The energy absorption was then calculated from the force displacement curve. The results indicated that the energy absorption decreases with increasing energy levels of the impact. Impacted specimens were observed visually for fragmentation fracture using an optical camera to identify the failure mechanisms. Fracture fragmentation pattern from permanent dent to perforation with radial and circumferential was observed.

  17. NEW Fe I LEVEL ENERGIES AND LINE IDENTIFICATIONS FROM STELLAR SPECTRA

    SciTech Connect

    Peterson, Ruth C.; Kurucz, Robert L.

    2015-01-01

    The spectrum of the Fe I atom is critical to many areas of astrophysics and beyond. Measurements of the energies of its high-lying levels remain woefully incomplete, however, despite extensive laboratory and solar analysis. In this work, we use high-resolution archival absorption-line ultraviolet and optical spectra of stars whose warm temperatures favor moderate Fe I excitation. We derive the energy for a particular upper level in Kurucz's semiempirical calculations by adopting a trial value that yields the same wavelength for a given line predicted to be about as strong as that of a strong unidentified spectral line observed in the stellar spectra, then checking the new wavelengths of other strong predicted transitions that share the same upper level for coincidence with other strong observed unidentified lines. To date, this analysis has provided the upper energies of 66 Fe I levels. Many new energy levels are higher than those accessible to laboratory experiments; several exceed the Fe I ionization energy. These levels provide new identifications for over 2000 potentially detectable lines. Almost all of the new levels of odd parity include UV lines that were detected but unclassified in laboratory Fe I absorption spectra, providing an external check on the energy values. We motivate and present the procedure, provide the resulting new energy levels and their uncertainties, list all the potentially detectable UV and optical new Fe I line identifications and their gf values, point out new lines of astrophysical interest, and discuss the prospects for additional Fe I energy level determinations.

  18. New Fe I Level Energies and Line Identifications from Stellar Spectra

    NASA Astrophysics Data System (ADS)

    Peterson, Ruth C.; Kurucz, Robert L.

    2015-01-01

    The spectrum of the Fe I atom is critical to many areas of astrophysics and beyond. Measurements of the energies of its high-lying levels remain woefully incomplete, however, despite extensive laboratory and solar analysis. In this work, we use high-resolution archival absorption-line ultraviolet and optical spectra of stars whose warm temperatures favor moderate Fe I excitation. We derive the energy for a particular upper level in Kurucz's semiempirical calculations by adopting a trial value that yields the same wavelength for a given line predicted to be about as strong as that of a strong unidentified spectral line observed in the stellar spectra, then checking the new wavelengths of other strong predicted transitions that share the same upper level for coincidence with other strong observed unidentified lines. To date, this analysis has provided the upper energies of 66 Fe I levels. Many new energy levels are higher than those accessible to laboratory experiments; several exceed the Fe I ionization energy. These levels provide new identifications for over 2000 potentially detectable lines. Almost all of the new levels of odd parity include UV lines that were detected but unclassified in laboratory Fe I absorption spectra, providing an external check on the energy values. We motivate and present the procedure, provide the resulting new energy levels and their uncertainties, list all the potentially detectable UV and optical new Fe I line identifications and their gf values, point out new lines of astrophysical interest, and discuss the prospects for additional Fe I energy level determinations.

  19. Effect of Femtosecond Laser Energy Level on Corneal Stromal Cell Death and Inflammation

    PubMed Central

    de Medeiros, Fabricio Witzel; Kaur, Harmeet; Agrawal, Vandana; Chaurasia, Shyam S.; Hammel, Jefferey; Dupps, William J.; Wilson, Steven E.

    2009-01-01

    PURPOSE To analyze the effects of variations in femtosecond laser energy level on corneal stromal cell death and inflammatory cell influx following flap creation in a rabbit model. METHODS Eighteen rabbits were stratified in three different groups according to level of energy applied for flap creation (six animals per group). Three different energy levels were chosen for both the lamellar and side cut: 2.7 μJ (high energy), 1.6 μJ (intermediate energy), and 0.5 μJ (low energy) with a 60 KHz, model II, femtosecond laser (IntraLase). The opposite eye of each rabbit served as a control. At the 24-hour time point after surgery, all rabbits were euthanized and the corneoscleral rims were analyzed for the levels of cell death and inflammatory cell influx with the terminal uridine deoxynucleotidyl transferase dUTP nick end labeling (TUNEL) assay and immunocytochemistry for monocyte marker CD11b, respectively. RESULTS The high energy group (31.9±7.1 [standard error of mean (SEM) 2.9]) had significantly more TUNEL-positive cells in the central flap compared to the intermediate (22.2±1.9 [SEM 0.8], P=.004), low (17.9±4.0 [SEM 1.6], P≤.001), and control eye (0.06±0.02 [SEM 0.009], P≤.001) groups. The intermediate and low energy groups also had significantly more TUNEL-positive cells than the control groups (P≤.001). The difference between the intermediate and low energy levels was not significant (P=.56). The mean for CD11b-positive cells/400× field at the flap edge was 26.2±29.3 (SEM 12.0), 5.8±4.1 (SEM 1.7), 1.7±4.1 (SEM 1.7), and 0.0±0.0 (SEM 0.0) for high energy, intermediate energy, low energy, and control groups, respectively. Only the intermediate energy group showed statistically more inflammatory cells than control eyes (P=.015), most likely due to variability between eyes. CONCLUSIONS Higher energy levels trigger greater cell death when the femtosecond laser is used to create corneal flaps. Greater corneal inflammatory cell infiltration is observed

  20. Bi-Level Decision Making for Supporting Energy and Water Nexus

    NASA Astrophysics Data System (ADS)

    Zhang, X.; Vesselinov, V. V.

    2016-12-01

    The inseparable relationship between energy production and water resources has led to the emerging energy-water nexus concept, which provides a means for integrated management and decision making of these two critical resources. However, the energy-water nexus frequently involves decision makers with different and competing management objectives. Furthermore, there is a challenge that decision makers and stakeholders might be making decisions sequentially from a higher level to a lower level, instead of at the same decision level, whereby the objective of a decision maker at a higher level should be satisfied first. In this study, a bi-level decision model is advanced to handle such decision-making situations for managing the energy-water nexus. The work represents a unique contribution to developing an integrated decision-support framework/tool to quantify and analyze the tradeoffs between the two-level energy-water nexus decision makers. Here, plans for electricity generation, fuel supply, water supply, capacity expansion of the power plants and environmental impacts are optimized to provide effective decision support. The developed decision-support framework is implemented in Julia (a high-level, high-performance dynamic programming language for technical computing) and is a part of the MADS (Model Analyses & Decision Support) framework (http://mads.lanl.gov). To demonstrate the capabilities of the developed methodology, a series of analyses are performed for synthetic problems consistent with actual real-world energy-water nexus management problems.

  1. Building Energy Use Modeling at the U.S. State Level Under Climate Change

    NASA Astrophysics Data System (ADS)

    Zhou, Y.; Eom, J.; Clarke, L.; Kyle, P.

    2012-12-01

    Climate change plays an important role in building energy use for heating and cooling. As global building energy use accounts for as much as about 32% of global final energy consumption in 2005, the impact of climate change on greenhouse gas emissions may also be significant. As long-term socioeconomic transformation and energy service expansion show large spatial heterogeneity, advanced understanding of climate impact on building energy use at the sub-national level will offer useful insights into regional energy system planning. In this study, we have developed a detailed building energy model with U.S. 50-state representation, embedded in an integrated assessment framework (Global Change Assessment Model). The climate change impact on heating and cooling demand is measured through estimating heating and cooling degree days (HDD/CDDs) derived from MIT Integrated Global System Model (IGSM) climate data and linking the estimates to the building energy model. Having the model calibrated against historical data at the U.S. state level, we estimated the building energy use in the 21st century at the U.S. state level and analyzed its spatial pattern. We have found that the total building energy use (heating and cooling) in U.S. states is over- or under-estimated without having climate feedback taken into account, and that the difference with and without climate feedback at the state level varies from -25% to 25% in reference scenario and -15% to 10% in climate mitigation scenario. The result not only confirms earlier finding that global warming leads to increased cooling and decreased heating energy use, it also indicates that climate change has a different impact on total building energy use at national and state level, exhibiting large spatial heterogeneity across states (Figure 1). The scale impact in building energy use modeling emphasizes the importance of developing a building energy model that represents socioeconomic development, energy service expansion, and

  2. Effect of energy and protein levels on nutrient utilization and their requirements in growing Murrah buffaloes.

    PubMed

    Prusty, Sonali; Kundu, Shivlal Singh; Mondal, Goutam; Sontakke, Umesh; Sharma, Vijay Kumar

    2016-04-01

    To evaluate different levels of energy and protein for optimum growth of Murrah male buffalo calves, a growth trial (150 days) was conducted on 30 calves (body weight 202.5 ± 6.8 kg). Six diets were formulated to provide 90, 100 and 110% protein level and 90 and 110% energy level requirements for buffalo calves, derived from ICAR 2013 recommendations for buffaloes. The crude protein (CP) intake was increased with higher dietary CP, whereas no effect of energy levels or interaction between protein and energy was observed on CP intake. There were significant effects (P < 0.01) of the interaction between protein and energy (P < 0.05) on metabolizable energy (ME) intake. The digestibility of dry matter (DM), organic matter (OM) and non-fibrous carbohydrate (NFC) was higher (P < 0.0001) in high-energy groups compared to low-energy groups. The CP digestibility increased with the increased CP and ME of the rations. The absorbed N was improved linearly with an increased level of dietary CP, whereas the N retention was similar among all the groups distributed as per different energy or protein levels. The nutrient intake (protein or energy) per kg body weight (BW)(0.75) at various fortnight intervals was regressed linearly from the average daily gain (ADG) per kg BW(0.75). By setting the average daily gain at zero in the developed regression equation, a maintenance requirement was obtained, i.e. 133.1 kcal ME, 6.45 g CP and 3.95 g metabolizable protein (MP) per kg BW(0.75). Requirement for growth was 6.12 kcal ME, 0.46 g CP and 0.32 g MP per kg BW(0.75) per day. Metabolizable amino acid requirement was estimated from partitioning of MP intake and ADG. The ME requirements were lower, whereas the MP requirement of Murrah buffaloes was higher than ICAR (2013) recommendations.

  3. Converging ligand-binding free energies obtained with free-energy perturbations at the quantum mechanical level.

    PubMed

    Olsson, Martin A; Söderhjelm, Pär; Ryde, Ulf

    2016-06-30

    In this article, the convergence of quantum mechanical (QM) free-energy simulations based on molecular dynamics simulations at the molecular mechanics (MM) level has been investigated. We have estimated relative free energies for the binding of nine cyclic carboxylate ligands to the octa-acid deep-cavity host, including the host, the ligand, and all water molecules within 4.5 Å of the ligand in the QM calculations (158-224 atoms). We use single-step exponential averaging (ssEA) and the non-Boltzmann Bennett acceptance ratio (NBB) methods to estimate QM/MM free energy with the semi-empirical PM6-DH2X method, both based on interaction energies. We show that ssEA with cumulant expansion gives a better convergence and uses half as many QM calculations as NBB, although the two methods give consistent results. With 720,000 QM calculations per transformation, QM/MM free-energy estimates with a precision of 1 kJ/mol can be obtained for all eight relative energies with ssEA, showing that this approach can be used to calculate converged QM/MM binding free energies for realistic systems and large QM partitions. © 2016 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc.

  4. Energy level of the nitrogen dangling bond in amorphous silicon nitride

    SciTech Connect

    Warren, W.L. ); Kanicki, J. ); Robertson, J. ); Lenahan, P.M. )

    1991-09-30

    The composition dependence and room-temperature metastability of the paramagnetic nitrogen dangling-bond center is amorphous silicon nitride suggest that its energy level lies close to the N {ital p}{pi} states, in agreement with theoretical calculations.

  5. Experimental Energy Levels and Partition Function of the 12C2 Molecule

    NASA Astrophysics Data System (ADS)

    Furtenbacher, Tibor; Szabó, István; Császár, Attila G.; Bernath, Peter F.; Yurchenko, Sergei N.; Tennyson, Jonathan

    2016-06-01

    The carbon dimer, the 12C2 molecule, is ubiquitous in astronomical environments. Experimental-quality rovibronic energy levels are reported for 12C2, based on rovibronic transitions measured for and among its singlet, triplet, and quintet electronic states, reported in 42 publications. The determination utilizes the Measured Active Rotational-Vibrational Energy Levels (MARVEL) technique. The 23,343 transitions measured experimentally and validated within this study determine 5699 rovibronic energy levels, 1325, 4309, and 65 levels for the singlet, triplet, and quintet states investigated, respectively. The MARVEL analysis provides rovibronic energies for six singlet, six triplet, and two quintet electronic states. For example, the lowest measurable energy level of the {{a}}{}3{{{\\Pi }}}{{u}} state, corresponding to the J = 2 total angular momentum quantum number and the F 1 spin-multiplet component, is 603.817(5) cm-1. This well-determined energy difference should facilitate observations of singlet-triplet intercombination lines, which are thought to occur in the interstellar medium and comets. The large number of highly accurate and clearly labeled transitions that can be derived by combining MARVEL energy levels with computed temperature-dependent intensities should help a number of astrophysical observations as well as corresponding laboratory measurements. The experimental rovibronic energy levels, augmented, where needed, with ab initio variational ones based on empirically adjusted and spin-orbit coupled potential energy curves obtained using the Duo code, are used to obtain a highly accurate partition function, and related thermodynamic data, for 12C2 up to 4000 K.

  6. Assessment of Energy Intake and Energy Expenditure of Male Adolescent Academy-Level Soccer Players during a Competitive Week

    PubMed Central

    Briggs, Marc A.; Cockburn, Emma; Rumbold, Penny L. S.; Rae, Glen; Stevenson, Emma J.; Russell, Mark

    2015-01-01

    This study investigated the energy intake and expenditure of professional adolescent academy-level soccer players during a competitive week. Over a seven day period that included four training days, two rest days and a match day, energy intake (self-reported weighed food diary and 24-h recall) and expenditure (tri-axial accelerometry) were recorded in 10 male players from a professional English Premier League club. The mean macronutrient composition of the dietary intake was 318 ± 24 g·day−1 (5.6 ± 0.4 g·kg−1 BM) carbohydrate, 86 ± 10 g·day−1 (1.5 ± 0.2 g·kg−1 BM) protein and 70 ± 7 g·day−1 (1.2 ± 0.1 g·kg−1 BM) fats, representing 55% ± 3%, 16% ± 1%, and 29% ± 2% of mean daily energy intake respectively. A mean daily energy deficit of −1302 ± 1662 kJ (p = 0.035) was observed between energy intake (9395 ± 1344 kJ) and energy expenditure (10679 ± 1026 kJ). Match days (−2278 ± 2307 kJ, p = 0.012) and heavy training days (−2114 ± 2257 kJ, p = 0.016) elicited the greatest deficits between intake and expenditure. In conclusion, the mean daily energy intake of professional adolescent academy-level soccer players was lower than the energy expended during a competitive week. The magnitudes of these deficits were greatest on match and heavy training days. These findings may have both short and long term implications on the performance and physical development of adolescent soccer players. PMID:26445059

  7. Assessment of Energy Intake and Energy Expenditure of Male Adolescent Academy-Level Soccer Players during a Competitive Week.

    PubMed

    Briggs, Marc A; Cockburn, Emma; Rumbold, Penny L S; Rae, Glen; Stevenson, Emma J; Russell, Mark

    2015-10-02

    This study investigated the energy intake and expenditure of professional adolescent academy-level soccer players during a competitive week. Over a seven day period that included four training days, two rest days and a match day, energy intake (self-reported weighed food diary and 24-h recall) and expenditure (tri-axial accelerometry) were recorded in 10 male players from a professional English Premier League club. The mean macronutrient composition of the dietary intake was 318 ± 24 g·day(-1) (5.6 ± 0.4 g·kg(-1) BM) carbohydrate, 86 ± 10 g·day(-1) (1.5 ± 0.2 g·kg(-1) BM) protein and 70 ± 7 g·day(-1) (1.2 ± 0.1 g·kg(-1) BM) fats, representing 55% ± 3%, 16% ± 1%, and 29% ± 2% of mean daily energy intake respectively. A mean daily energy deficit of -1302 ± 1662 kJ (p = 0.035) was observed between energy intake (9395 ± 1344 kJ) and energy expenditure (10679 ± 1026 kJ). Match days (-2278 ± 2307 kJ, p = 0.012) and heavy training days (-2114 ± 2257 kJ, p = 0.016) elicited the greatest deficits between intake and expenditure. In conclusion, the mean daily energy intake of professional adolescent academy-level soccer players was lower than the energy expended during a competitive week. The magnitudes of these deficits were greatest on match and heavy training days. These findings may have both short and long term implications on the performance and physical development of adolescent soccer players.

  8. Consequences of dietary energy source and energy level on energy balance, lactogenic hormones, and lactation curve characteristics of cows after a short or omitted dry period.

    PubMed

    van Hoeij, R J; Dijkstra, J; Bruckmaier, R M; Gross, J J; Lam, T J G M; Remmelink, G J; Kemp, B; van Knegsel, A T M

    2017-10-01

    Omitting the dry period (DP) generally reduces milk production in the subsequent lactation. The aim of this study was to evaluate the effect of dietary energy source-glucogenic (G) or lipogenic (L)-and energy level-standard (std) or low-on milk production; energy balance (EB); lactogenic hormones insulin, insulin-like growth factor 1 (IGF-1), and growth hormone (GH); and lactation curve characteristics between wk 1 and 44 postpartum in cows after a 0-d or 30-d DP. Cows (n = 110) were assigned randomly to 3 transition treatments: a 30-d DP with a standard energy level required for expected milk yield [30-d DP(std)], a 0-d DP with the same energy level as cows with a 30-d DP [0-d DP(std)], and a 0-d DP with a low energy level [0-d DP(low)]. In wk 1 to 7, cows were fed the same basal ration but the level of concentrate increased to 6.7 kg/d for cows fed the low energy level and to 8.5 kg/d for cows fed the standard energy level in wk 4. From wk 8 postpartum onward, cows received a G ration (mainly consisting of corn silage and grass silage) or an L ration (mainly consisting of grass silage and sugar beet pulp) with the same energy level contrast (low or std) as in early lactation. Cows fed the G ration had greater milk, lactose, and protein yields, lower milk fat percentage, greater dry matter and energy intakes, and greater plasma IGF-1 concentration compared with cows fed the L ration. Dietary energy source did not affect EB or lactation curve characteristics. In cows with a 0-d DP, the reduced energy level decreased energy intake, EB, and weekly body weight gain, but did not affect milk production or lactation curve characteristics. A 30-d DP resulted in a greater total predicted lactation yield, initial milk yield after calving, peak milk yield, energy intake, energy output in milk, days to conception [only when compared with 0-d DP(low)], plasma GH concentration [only when compared with 0-d DP(std)], and decreased weekly body weight gain compared with a 0-d DP. A

  9. Suppressing recombination in polymer photovoltaic devices via energy-level cascades.

    PubMed

    Tan, Zhi-Kuang; Johnson, Kerr; Vaynzof, Yana; Bakulin, Artem A; Chua, Lay-Lay; Ho, Peter K H; Friend, Richard H

    2013-08-14

    An energy cascading structure is designed in a polymer photovoltaic device to suppress recombination and improve quantum yields. By the insertion of a thin polymer interlayer with intermediate energy levels, electrons and holes can effectively shuttle away from each other while being spatially separated from recombination. An increase in open-circuit voltage and short-circuit current are observed in modified devices.

  10. Role of energy-level mismatches in a multi-pathway complex of photosynthesis

    NASA Astrophysics Data System (ADS)

    Lim, James; Ryu, Junghee; Lee, Changhyoup; Yoo, Seokwon; Jeong, Hyunseok; Lee, Jinhyoung

    2011-10-01

    Considering a multi-pathway structure in a light-harvesting complex of photosynthesis, we investigated the role of energy-level mismatches between antenna molecules in transferring the absorbed energy to a reaction center (RC). We found a condition in which the antenna molecules faithfully play their roles: when their effective absorption ratios are larger than those of the receiver molecule directly coupled to the RC. In the absence of energy-level mismatches and dephasing noise, there arises quantum destructive interference between multiple paths that restricts the energy transfer. On the other hand, the destructive interference diminishes as asymmetrically biasing the energy-level mismatches and/or introducing quantum noise of dephasing for the antenna molecules, so that the transfer efficiency is greatly enhanced to nearly unity. Remarkably, the near-unity efficiency can be achieved at a wide range of asymmetric energy-level mismatches. Temporal characteristics are also optimized at the energy-level mismatches where the transfer efficiency is nearly unity. We discuss these effects, in particular, for the Fenna-Matthews-Olson complex.

  11. Energy level alignment at planar organic heterojunctions: influence of contact doping and molecular orientation.

    PubMed

    Opitz, Andreas

    2017-04-05

    Planar organic heterojunctions are widely used in photovoltaic cells, light-emitting diodes, and bilayer field-effect transistors. The energy level alignment in the devices plays an important role in obtaining the aspired gap arrangement. Additionally, the π-orbital overlap between the involved molecules defines e.g. the charge-separation efficiency in solar cells due to charge-transfer effects. To account for both aspects, direct/inverse photoemission spectroscopy and near edge x-ray absorption fine structure spectroscopy were used to determine the energy level landscape and the molecular orientation at prototypical planar organic heterojunctions. The combined experimental approach results in a comprehensive model for the electronic and morphological characteristics of the interface between the two investigated molecular semiconductors. Following an introduction on heterojunctions used in devices and on energy levels of organic materials, the energy level alignment of planar organic heterojunctions will be discussed. The observed energy landscape is always determined by the individual arrangement between the energy levels of the molecules and the work function of the electrode. This might result in contact doping due to Fermi level pinning at the electrode for donor/acceptor heterojunctions, which also improves the solar cell efficiency. This pinning behaviour can be observed across an unpinned interlayer and results in charge accumulation at the donor/acceptor interface, depending on the transport levels of the respective organic semiconductors. Moreover, molecular orientation will affect the energy levels because of the anisotropy in ionisation energy and electron affinity and is influenced by the structural compatibility of the involved molecules at the heterojunction. High structural compatibility leads to π-orbital stacking between different molecules at a heterojunction, which is of additional interest for photovoltaic active interfaces and for ground

  12. Energy level alignment at planar organic heterojunctions: influence of contact doping and molecular orientation

    NASA Astrophysics Data System (ADS)

    Opitz, Andreas

    2017-04-01

    Planar organic heterojunctions are widely used in photovoltaic cells, light-emitting diodes, and bilayer field-effect transistors. The energy level alignment in the devices plays an important role in obtaining the aspired gap arrangement. Additionally, the π-orbital overlap between the involved molecules defines e.g. the charge-separation efficiency in solar cells due to charge-transfer effects. To account for both aspects, direct/inverse photoemission spectroscopy and near edge x-ray absorption fine structure spectroscopy were used to determine the energy level landscape and the molecular orientation at prototypical planar organic heterojunctions. The combined experimental approach results in a comprehensive model for the electronic and morphological characteristics of the interface between the two investigated molecular semiconductors. Following an introduction on heterojunctions used in devices and on energy levels of organic materials, the energy level alignment of planar organic heterojunctions will be discussed. The observed energy landscape is always determined by the individual arrangement between the energy levels of the molecules and the work function of the electrode. This might result in contact doping due to Fermi level pinning at the electrode for donor/acceptor heterojunctions, which also improves the solar cell efficiency. This pinning behaviour can be observed across an unpinned interlayer and results in charge accumulation at the donor/acceptor interface, depending on the transport levels of the respective organic semiconductors. Moreover, molecular orientation will affect the energy levels because of the anisotropy in ionisation energy and electron affinity and is influenced by the structural compatibility of the involved molecules at the heterojunction. High structural compatibility leads to π-orbital stacking between different molecules at a heterojunction, which is of additional interest for photovoltaic active interfaces and for ground

  13. Levelized Cost of Energy Analysis of Marine and Hydrokinetic Reference Models: Preprint

    SciTech Connect

    Jenne, D. S.; Yu, Y. H.; Neary, V.

    2015-04-24

    In 2010 the U.S. Department of Energy initiated the development of six marine energy converter reference models. The reference models are point designs of well-known marine energy converters. Each device was designed to operate in a specific marine resource, instead of a generic device that can be deployed at any location. This method allows each device to be used as a benchmark for future reference model to benchmark future devices. The six designs consist of three current energy converters and three wave energy converters. The reference model project has generated both technical and economic data sets that are available in the public domain. The methodology to calculate the levelized cost of energy for the reference model project and an overall comparison of the cost of energy from these six reference-model designs are presented in this paper.

  14. Critically Evaluated Energy Levels, Spectral Lines, Transition Probabilities, and Intensities of Singly Ionized Vanadium (V ii)

    NASA Astrophysics Data System (ADS)

    Saloman, Edward B.; Kramida, Alexander

    2017-08-01

    The energy levels, observed spectral lines, and transition probabilities of singly ionized vanadium, V ii, have been compiled. The experimentally derived energy levels belong to the configurations 3d 4, 3d 3 ns (n = 4, 5, 6), 3d 3 np, and 3d 3 nd (n = 4, 5), 3d 34f, 3d 24s 2, and 3d 24s4p. Also included are values for some forbidden lines that may be of interest to the astrophysical community. Experimental Landé g-factors and leading percentages for the levels are included when available, as well as Ritz wavelengths calculated from the energy levels. Wavelengths and transition probabilities are reported for 3568 and 1896 transitions, respectively. From the list of observed wavelengths, 407 energy levels are determined. The observed intensities, normalized to a common scale, are provided. From the newly optimized energy levels, a revised value for the ionization energy is derived, 118,030(60) cm-1, corresponding to 14.634(7) eV. This is 130 cm-1 higher than the previously recommended value from Iglesias et al.

  15. Growth and energy budget of juvenile lenok Brachymystax lenok in relation to ration level

    NASA Astrophysics Data System (ADS)

    Liu, Yang; Li, Zhongjie; Zhang, Tanglin; Yuan, Jing; Mou, Zhenbo; Liu, Jiashou

    2015-03-01

    We evaluated the effect of ration level (RL) on the growth and energy budget of lenok Brachymystax lenok. Juvenile lenok (initial mean body weight 3.06±0.13 g) were fed for 21 d at five different ration levels: starvation, 2%, 3%, 4% bwd (body weight per day, based on initial mean values), and apparent satiation. Feed consumption, apparent digestibility, and growth were directly measured. Specific growth rates in terms of wet weight, dry weight, protein, and energy increased logarithmically with an increase in ration levels. The relationship between specific growth rate in terms of wet weight (SGRw, %/d) and RL (%) was characterized by a decelerating curve: SGRw=-1.417+3.166ln(RL+1). The apparent digestibility coefficients of energy exhibited a decreasing pattern with increasing ration level, and there was a significant difference among different RLs. Body composition was significantly affected by ration size. The relationship between feed efficiency rate in terms of energy (FERe) and RL was: FERe=-14.167+23.793RL-3.367(RL)2, and the maximum FERe was observed at a 3.53% ration. The maintenance requirement for energy of juvenile lenok was 105.39 kJ BW (kg)-0.80/d, the utilization efficiency of DE for growth was 0.496. The energy budget equation at satiation was: 100IE=29.03FE+5.78(ZE+UE)+39.56 HE+25.63 RE, where IE is feed energy, FE is fecal energy, ZE+UE is excretory energy, HE is heat production, and RE is recovered energy. Our results suggest that the most suitable feeding rate for juvenile lenok aquaculture for wet weight growth is 2.89% bwd, whereas for energy growth, the suggested rate is 3.53% bwd at this growth stage.

  16. Chemical control over the energy-level alignment in a two-terminal junction.

    PubMed

    Yuan, Li; Franco, Carlos; Crivillers, Núria; Mas-Torrent, Marta; Cao, Liang; Sangeeth, C S Suchand; Rovira, Concepció; Veciana, Jaume; Nijhuis, Christian A

    2016-07-26

    The energy-level alignment of molecular transistors can be controlled by external gating to move molecular orbitals with respect to the Fermi levels of the source and drain electrodes. Two-terminal molecular tunnelling junctions, however, lack a gate electrode and suffer from Fermi-level pinning, making it difficult to control the energy-level alignment of the system. Here we report an enhancement of 2 orders of magnitude of the tunnelling current in a two-terminal junction via chemical molecular orbital control, changing chemically the molecular component between a stable radical and its non-radical form without altering the supramolecular structure of the junction. Our findings demonstrate that the energy-level alignment in self-assembled monolayer-based junctions can be regulated by purely chemical modifications, which seems an attractive alternative to control the electrical properties of two-terminal junctions.

  17. Chemical control over the energy-level alignment in a two-terminal junction

    PubMed Central

    Yuan, Li; Franco, Carlos; Crivillers, Núria; Mas-Torrent, Marta; Cao, Liang; Sangeeth, C. S. Suchand; Rovira, Concepció; Veciana, Jaume; Nijhuis, Christian A.

    2016-01-01

    The energy-level alignment of molecular transistors can be controlled by external gating to move molecular orbitals with respect to the Fermi levels of the source and drain electrodes. Two-terminal molecular tunnelling junctions, however, lack a gate electrode and suffer from Fermi-level pinning, making it difficult to control the energy-level alignment of the system. Here we report an enhancement of 2 orders of magnitude of the tunnelling current in a two-terminal junction via chemical molecular orbital control, changing chemically the molecular component between a stable radical and its non-radical form without altering the supramolecular structure of the junction. Our findings demonstrate that the energy-level alignment in self-assembled monolayer-based junctions can be regulated by purely chemical modifications, which seems an attractive alternative to control the electrical properties of two-terminal junctions. PMID:27456200

  18. Energy level alignment between C 60 and Al using ultraviolet photoelectron spectroscopy

    NASA Astrophysics Data System (ADS)

    Seo, J. H.; Kang, S. J.; Kim, C. Y.; Cho, S. W.; Yoo, K.-H.; Whang, C. N.

    2006-09-01

    The energy level alignment between C 60 and Al has been investigated by using ultraviolet photoelectron spectroscopy. To obtain the interfacial electronic structure between C 60 and Al, C 60 was deposited on a clean Al substrate in a stepwise manner. The valence-band spectra were measured immediately after each step of C 60 deposition without breaking the vacuum. The measured onset of the highest occupied molecular orbital energy level was located at 1.59 eV from the Fermi level of Al. The vacuum level was shifted 0.68 eV toward lower binding energy with additional C 60 layers. The observed vacuum level shift means that the interface dipole exists at the interface between C 60 and Al. The barrier height of electron injection from Al to C 60 is 0.11 eV, which is smaller value than that of hole injection.

  19. The energy levels and transition properties of In-like ions

    NASA Astrophysics Data System (ADS)

    Wang, H.-W.; Zhang, L.; Jiang, G.; Li, X.-F.; Wang, H.-B.

    2017-08-01

    The energy levels and transition properties of In-like ions are investigated by using the multi-configuration Dirac-Hartree-Fock method. The results for the energy levels, transition probabilities, wavelengths, line strengths and lifetimes of In-like Cs VII—Pm XIII are reported. Relativistic effects and electron correlation are included. Our calculations agree well with the experimental and other theoretical values. The new data of energy levels and transition parameters are predicted. The level crossing happens between the configurations 5s 24f and 5s 25p with increasing nuclear charge. The transition frequencies are within the range of usual lasers because of the level crossing. In-like ions may be developed into atomic clock.

  20. Energy-Water Nexus: Balancing the Tradeoffs between Two-Level Decision Makers

    SciTech Connect

    Zhang, Xiaodong; Vesselinov, Velimir Valentinov

    2016-09-03

    Energy-water nexus has substantially increased importance in the recent years. Synergistic approaches based on systems-analysis and mathematical models are critical for helping decision makers better understand the interrelationships and tradeoffs between energy and water. In energywater nexus management, various decision makers with different goals and preferences, which are often conflicting, are involved. These decision makers may have different controlling power over the management objectives and the decisions. They make decisions sequentially from the upper level to the lower level, challenging decision making in energy-water nexus. In order to address such planning issues, a bi-level decision model is developed, which improves upon the existing studies by integration of bi-level programming into energy-water nexus management. The developed model represents a methodological contribution to the challenge of sequential decisionmaking in energy-water nexus through provision of an integrated modeling framework/tool. An interactive fuzzy optimization methodology is introduced to seek a satisfactory solution to meet the overall satisfaction of the two-level decision makers. The tradeoffs between the two-level decision makers in energy-water nexus management are effectively addressed and quantified. Application of the proposed model to a synthetic example problem has demonstrated its applicability in practical energy-water nexus management. Optimal solutions for electricity generation, fuel supply, water supply including groundwater, surface water and recycled water, capacity expansion of the power plants, and GHG emission control are generated. In conclusion, these analyses are capable of helping decision makers or stakeholders adjust their tolerances to make informed decisions to achieve the overall satisfaction of energy-water nexus management where bi-level sequential decision making process is involved.

  1. Energy-Water Nexus: Balancing the Tradeoffs between Two-Level Decision Makers

    DOE PAGES

    Zhang, Xiaodong; Vesselinov, Velimir Valentinov

    2016-09-03

    Energy-water nexus has substantially increased importance in the recent years. Synergistic approaches based on systems-analysis and mathematical models are critical for helping decision makers better understand the interrelationships and tradeoffs between energy and water. In energywater nexus management, various decision makers with different goals and preferences, which are often conflicting, are involved. These decision makers may have different controlling power over the management objectives and the decisions. They make decisions sequentially from the upper level to the lower level, challenging decision making in energy-water nexus. In order to address such planning issues, a bi-level decision model is developed, which improvesmore » upon the existing studies by integration of bi-level programming into energy-water nexus management. The developed model represents a methodological contribution to the challenge of sequential decisionmaking in energy-water nexus through provision of an integrated modeling framework/tool. An interactive fuzzy optimization methodology is introduced to seek a satisfactory solution to meet the overall satisfaction of the two-level decision makers. The tradeoffs between the two-level decision makers in energy-water nexus management are effectively addressed and quantified. Application of the proposed model to a synthetic example problem has demonstrated its applicability in practical energy-water nexus management. Optimal solutions for electricity generation, fuel supply, water supply including groundwater, surface water and recycled water, capacity expansion of the power plants, and GHG emission control are generated. In conclusion, these analyses are capable of helping decision makers or stakeholders adjust their tolerances to make informed decisions to achieve the overall satisfaction of energy-water nexus management where bi-level sequential decision making process is involved.« less

  2. Energy-Water Nexus: Balancing the Tradeoffs between Two-Level Decision Makers

    SciTech Connect

    Zhang, Xiaodong; Vesselinov, Velimir Valentinov

    2016-09-03

    Energy-water nexus has substantially increased importance in the recent years. Synergistic approaches based on systems-analysis and mathematical models are critical for helping decision makers better understand the interrelationships and tradeoffs between energy and water. In energywater nexus management, various decision makers with different goals and preferences, which are often conflicting, are involved. These decision makers may have different controlling power over the management objectives and the decisions. They make decisions sequentially from the upper level to the lower level, challenging decision making in energy-water nexus. In order to address such planning issues, a bi-level decision model is developed, which improves upon the existing studies by integration of bi-level programming into energy-water nexus management. The developed model represents a methodological contribution to the challenge of sequential decisionmaking in energy-water nexus through provision of an integrated modeling framework/tool. An interactive fuzzy optimization methodology is introduced to seek a satisfactory solution to meet the overall satisfaction of the two-level decision makers. The tradeoffs between the two-level decision makers in energy-water nexus management are effectively addressed and quantified. Application of the proposed model to a synthetic example problem has demonstrated its applicability in practical energy-water nexus management. Optimal solutions for electricity generation, fuel supply, water supply including groundwater, surface water and recycled water, capacity expansion of the power plants, and GHG emission control are generated. In conclusion, these analyses are capable of helping decision makers or stakeholders adjust their tolerances to make informed decisions to achieve the overall satisfaction of energy-water nexus management where bi-level sequential decision making process is involved.

  3. Energy Levels and Half-Lives of Gallium Isotopes Obtained by Photo-Nuclear Reaction

    NASA Astrophysics Data System (ADS)

    Dulger, F.; Akkoyun, S.; Bayram, T.; Dapo, H.; Boztosun, I.

    2015-04-01

    We have run an experiment to determine the energy levels and half-lives of Gallium nucleus by using the photonuclear reactions with end-point energy of 18 MeV bremsstrahlung photons, produced by a clinical linear accelerator. As a result of 71Ga(y,n)70Ga and 69Ga(Y,n)68Ga photonuclear reactions, the energy levels and half-lives of 70Ga and 68Ga nuclei have been determined. The results are in good agreement with the literature values.

  4. Energy-level alignment at interfaces between manganese phthalocyanine and C60

    PubMed Central

    Rückerl, Florian; Büchner, Bernd

    2017-01-01

    We have used photoelectron spectroscopy to determine the energy-level alignment at organic heterojunctions made of manganese phthalocyanine (MnPc) and the fullerene C60. We show that this energy-level alignment depends upon the preparation sequence, which is explained by different molecular orientations. Moreover, our results demonstrate that MnPc/C60 interfaces are hardly suited for application in organic photovoltaic devices, since the energy difference of the two lowest unoccupied molecular orbitals (LUMOs) is rather small. PMID:28546887

  5. Level-energy-dependent mean velocities of excited tungsten atoms sputtered by krypton-ion bombardment

    SciTech Connect

    Nogami, Keisuke; Sakai, Yasuhiro; Mineta, Shota; Kato, Daiji; Murakami, Izumi; Sakaue, Hiroyuki A.; Kenmotsu, Takahiro; Furuya, Kenji; Motohashi, Kenji

    2015-11-15

    Visible emission spectra were acquired from neutral atoms sputtered by 35–60 keV Kr{sup +} ions from a polycrystalline tungsten surface. Mean velocities of excited tungsten atoms in seven different 6p states were also obtained via the dependence of photon intensities on the distance from the surface. The average velocities parallel to the surface normal varied by factors of 2–4 for atoms in the different 6p energy levels. However, they were almost independent of the incident ion kinetic energy. The 6p-level energy dependence indicated that the velocities of the excited atoms were determined by inelastic processes that involve resonant charge exchange.

  6. Spectrum and energy levels of five-times ionized zirconium (Zr VI)

    NASA Astrophysics Data System (ADS)

    Reader, Joseph; Lindsay, Mark D.

    2016-02-01

    We carried out a new analysis of the spectrum of five-times-ionized zirconium Zr VI. For this we used sliding-spark discharges together with normal- and grazing-incidence spectrographs to observe the spectrum from 160 to 2000 Å. These observations showed that the analysis of this spectrum by Khan et al (1985 Phys. Scr. 31 837) contained a significant number of incorrect energy levels. We have now classified ˜420 lines as transitions between 23 even-parity levels 73 odd-parity levels. The 4s24p5, 4s4p6, 4s24p44d, 5s, 5d, 6s configurations are now complete, although a few levels of 4s24p45d are tentative. We determined Ritz-type wavelengths for ˜135 lines from the optimized energy levels. The uncertainties range from 0.0003 to 0.0020 Å. Hartree-Fock calculations and least-squares fits of the energy parameters to the observed levels were used to interpret the observed configurations. Oscillator strengths for all classified lines were calculated with the fitted parameters. The results are compared with values for the level energies, percentage compositions, and transition probabilities from recent ab initio theoretical calculations. The ionization energy was revised to 777 380 ± 300 cm-1 (96.38 ± 0.04 eV).

  7. Low Levels of Energy Expenditure in Childhood Cancer Survivors: Implications for Obesity Prevention.

    PubMed

    Zhang, Fang Fang; Roberts, Susan B; Parsons, Susan K; Must, Aviva; Kelly, Michael J; Wong, William W; Saltzman, Edward

    2015-04-01

    Childhood cancer survivors are at an increased risk of obesity but causes for this elevated risk are uncertain. We evaluated total energy expenditure in childhood cancer survivors using the doubly labeled water method in a cross-sectional study of 17 survivors of pediatric leukemia or lymphoma (median age, 11.5 y). Mean total energy expenditure was 2073 kcal/d, which was nearly 500 kcal/d lower than estimated energy requirements with recommended levels of physical activity. This energy gap is likely to contribute to the risk of obesity in this population and future trials are needed to assess implications and potential treatment strategies.

  8. Inversion Vibrational Energy Levels of AsH3 + Studied by Zero-Kinetic Photoelectron Spectroscopy

    NASA Astrophysics Data System (ADS)

    Mo, Yuxiang

    2016-06-01

    The rotational-resolved vibrational spectra of AsH3 + have been measured for the first time with vibrational energies up to 6000 wn above the ground state using zero-kinetic energy photoelectron spectroscopic method. The inversion vibrational energy levels (νb{2}) and the corresponding rotational constants for the νb{2} =0-16 have been determined. The tunneling splittings of the inversion vibration energy levels have been observed for the ground and the first excited vibrational states. The geometric parameters of AsH3 + as a function of inversion vibrational quantum states have been determined, indicating that the geometric structure of the cation changes from near planar structure to a pyramidal structure with more vibrational excitations. In addition to the experimental measurement, a two-dimensional theoretical calculation including the two symmetric vibrational modes was performed to determine the energy levels of the symmetric inversion and As-H stretching vibrations. The calculated vibrational energy levels are in good agreement with the experimental results. The first adiabatic ionization energy (IE) for AsH3 was also accurately determined. The result of this work will be compared with our published result on the PH3+.

  9. Probing Energy Levels of Large Array Quantum Dot Superlattice by Electronic Transport Measurement

    NASA Astrophysics Data System (ADS)

    Bisri, S. Z.; Degoli, E.; Spallanzani, N.; Krishnan, G.; Kooi, B.; Ghica, C.; Yarema, M.; Protesescu, L.; Heiss, W.; Kovalenko, M.; Pulci, O.; Ossicini, S.; Iwasa, Y.; Loi, M. A.

    2015-03-01

    Colloidal quantum dot superlattice (CQDS) emerges as new type of hybrid solids allowing easy fabrication of devices that exploits the quantum confinement properties of individual QD. This materials displays peculiar characters, making investigation of their transport properties nontrivial. Besides the bandgap variations, 0D nature of QD lead to the formation of discrete energy subbands. These subbands are crucial for multiple exciton generation (for efficient solar cell), thermoelectric material and multistate transistor. Full understanding of the CQDS energy level structure is vital to use them in complex devices. Here we show a powerful method to determine the CQDS electronic energy levels from their intrinsic charge transport characteristics. Via the use of ambipolar transistors with CQDS as active materials and gated using highly capacitive ionic liquid gating, Fermi energy can be largely tuned. It can access energy levels beyond QD's HOMO & LUMO. Ability to probe not only the bandgap, but also the discrete energy level from large assembly of QD at room temperature suggests the formation of energy minibands in this system.

  10. Zone Level Occupant-Responsive Building Energy Systems at the GSA

    SciTech Connect

    Robinson, Alastair

    2014-03-01

    The General Services Administration (GSA) partnered with the U.S. Department of Energy (DOE) to develop and implement building energy system retrofits, aiming to reduce energy consumption of at least two building systems by a total of 30 percent or more, as part of DOE’s Commercial Building Partnership (CBP) Program. Lawrence Berkeley National Laboratory (LBNL) provided technical expertise in support of this DOE program, working with the GSA and a team of consultants. This case study reports expected energy savings from appropriate energy efficient design and operations modifications to lighting and heating, ventilating and air conditioning (HVAC) systems at the selected study sites. These retrofits comprised installation of new lighting systems with dimming capability and occupancy-sensor control at the individual light fixture level, and utilized lighting system occupancy sensor signals to continually readjust zone-level ventilation airflow according to the number of people present, down to minimum rates when vacant.

  11. Excitation energy dependence of the level density parameter close to the doubly magic 208Pb

    NASA Astrophysics Data System (ADS)

    Roy, Pratap; Banerjee, K.; Bhattacharya, C.; Pandey, R.; Sen, A.; Manna, S.; Kundu, S.; Rana, T. K.; Ghosh, T. K.; Mukherjee, G.; Roy, T.; Dhal, A.; Dey, A.; Meena, J. K.; Saha, A. K.; Pandit, Deepak; Mukhopadhyay, S.; Bhattacharya, S.

    2016-12-01

    Neutron evaporation spectra have been measured from 4He+208Pb and 4He+209Bi reactions by using 4He-ion beams of several bombarding energies. Excitation-energy dependence of the level density parameter has been studied for the two systems in the excitation energy range of ˜18 -50 MeV. For both the reactions an overall reduction of the asymptotic level density parameter with increasing excitation energy (temperature) is observed. The trend of the data was compared with the Thomas-Fermi model predictions and found to be in reasonable agreement. The value of the shell damping parameter has been extracted from the lowest-energy data in the case of Po,211210 and At,212211 nuclei close to the Z =82 and N =126 shell closure, and it was found to be consistent with the recent measurement in the vicinity of doubly magic 208Pb nucleus.

  12. Examining student ideas about energy measurements on quantum states across undergraduate and graduate levels

    NASA Astrophysics Data System (ADS)

    Passante, Gina; Emigh, Paul J.; Shaffer, Peter S.

    2015-12-01

    [This paper is part of the Focused Collection on Upper Division Physics Courses.] Energy measurements play a fundamental role in the theory of quantum mechanics, yet there is evidence that the underlying concepts are difficult for many students, even after all undergraduate instruction. We present results from an investigation into student ability to determine the possible energies that can be measured for a given wave function and Hamiltonian, to determine the probabilities of each energy measurement and how they depend on time, and to recognize how a measurement of energy affects the state. By analyzing student responses to open-ended questions, we identify five broad, interrelated sets of conceptual and reasoning difficulties related to energy measurements. Data are drawn from sophomore-, junior-, and graduate-level quantum mechanics courses. Particular attention is paid to incorrect ideas that persist across all levels.

  13. Building America Residential System Research Results: Achieving 30% Whole House Energy Savings Level in Cold Climates

    SciTech Connect

    Building Industry Research Alliance; Building Science Consortium; Consortium for Advanced Residential Buildings; Florida Solar Energy Center; IBACOS; National Renewable Energy Laboratory

    2006-08-01

    The Building America program conducts the system research required to reduce risks associated with the design and construction of homes that use an average of 30% to 90% less total energy for all residential energy uses than the Building America Research Benchmark, including research on homes that will use zero net energy on annual basis. To measure the program's progress, annual research milestones have been established for five major climate regions in the United States. The system research activities required to reach each milestone take from 3 to 5 years to complete and include research in individual test houses, studies in pre-production prototypes, and research studies with lead builders that provide early examples that the specified energy savings level can be successfully achieved on a production basis. This report summarizes research results for the 30% energy savings level and demonstrates that lead builders can successfully provide 30% homes in Cold Climates on a cost-neutral basis.

  14. Developing Energy Literacy in US Middle-Level Students Using the Geospatial Curriculum Approach

    NASA Astrophysics Data System (ADS)

    Bodzin, Alec M.; Fu, Qiong; Peffer, Tamara E.; Kulo, Violet

    2013-06-01

    This quantitative study examined the effectiveness of a geospatial curriculum approach to promote energy literacy in an urban school district and examined factors that may account for energy content knowledge achievement. An energy literacy measure was administered to 1,044 eighth-grade students (ages 13-15) in an urban school district in Pennsylvania, USA. One group of students received instruction with a geospatial curriculum approach (geospatial technologies (GT)) and another group of students received 'business as usual' (BAU) curriculum instruction. For the GT students, findings revealed statistically significant gains from pretest to posttest (p < 0.001) on knowledge of energy resource acquisition, energy generation, storage and transport, and energy consumption and conservation. The GT students had year-end energy content knowledge scores significantly higher than those who learned with the BAU curriculum (p < 0.001; effect size being large). A multiple regression found that prior energy content knowledge was the only significant predictor to the year-end energy content knowledge achievement for the GT students (p < 0.001). The findings support that the implementation of a geospatial curriculum approach that employs learning activities that focus on the spatial nature of energy resources can improve the energy literacy of urban middle-level education students.

  15. A new accurate ground-state potential energy surface of ethylene and predictions for rotational and vibrational energy levels.

    PubMed

    Delahaye, Thibault; Nikitin, Andrei; Rey, Michaël; Szalay, Péter G; Tyuterev, Vladimir G

    2014-09-14

    In this paper we report a new ground state potential energy surface for ethylene (ethene) C2H4 obtained from extended ab initio calculations. The coupled-cluster approach with the perturbative inclusion of the connected triple excitations CCSD(T) and correlation consistent polarized valence basis set cc-pVQZ was employed for computations of electronic ground state energies. The fit of the surface included 82,542 nuclear configurations using sixth order expansion in curvilinear symmetry-adapted coordinates involving 2236 parameters. A good convergence for variationally computed vibrational levels of the C2H4 molecule was obtained with a RMS(Obs.-Calc.) deviation of 2.7 cm(-1) for fundamental bands centers and 5.9 cm(-1) for vibrational bands up to 7800 cm(-1). Large scale vibrational and rotational calculations for (12)C2H4, (13)C2H4, and (12)C2D4 isotopologues were performed using this new surface. Energy levels for J = 20 up to 6000 cm(-1) are in a good agreement with observations. This represents a considerable improvement with respect to available global predictions of vibrational levels of (13)C2H4 and (12)C2D4 and rovibrational levels of (12)C2H4.

  16. Wave energy level and geographic setting correlate with Florida beach water quality.

    PubMed

    Feng, Zhixuan; Reniers, Ad; Haus, Brian K; Solo-Gabriele, Helena M; Kelly, Elizabeth A

    2016-03-15

    Many recreational beaches suffer from elevated levels of microorganisms, resulting in beach advisories and closures due to lack of compliance with Environmental Protection Agency guidelines. We conducted the first statewide beach water quality assessment by analyzing decadal records of fecal indicator bacteria (enterococci and fecal coliform) levels at 262 Florida beaches. The objectives were to depict synoptic patterns of beach water quality exceedance along the entire Florida shoreline and to evaluate their relationships with wave condition and geographic location. Percent exceedances based on enterococci and fecal coliform were negatively correlated with both long-term mean wave energy and beach slope. Also, Gulf of Mexico beaches exceeded the thresholds significantly more than Atlantic Ocean ones, perhaps partially due to the lower wave energy. A possible linkage between wave energy level and water quality is beach sand, a pervasive nonpoint source that tends to harbor more bacteria in the low-wave-energy environment. Copyright © 2016 Elsevier Ltd. All rights reserved.

  17. Learning about Energy: The Influence of Alternative Frameworks, Cognitive Levels, and Closed-Mindedness.

    ERIC Educational Resources Information Center

    Trumper, Ricardo; Gorsky, Paul

    1993-01-01

    This study found no significant relations between junior high school students' (n=50) prior alternative frameworks on energy and their cognitive levels of operation. Significant differences in learning outcomes were achieved by students (n=29) who had higher cognitive level scores. The extent to which students succeeded in learning the energy…

  18. Energy levels, oscillator strengths, and transition probabilities for sulfur-like scandium, Sc VI

    NASA Astrophysics Data System (ADS)

    El-Maaref, A. A.; Abou Halaka, M. M.; Saddeek, Yasser B.

    2017-09-01

    Energy levels, Oscillator strengths, and transition probabilities for sulfur-like scandium are calculated using CIV3 code. The calculations have been executed in an intermediate coupling scheme using Breit-Pauli Hamiltonian. The present calculations have been compared with the experimental data and other theoretical calculations. LANL code has been used to confirm the accuracy of the present calculations, where the calculations using CIV3 code agree well with the corresponding values by LANL code. The calculated energy levels and oscillator strengths are in reasonable agreement with the published experimental data and theoretical values. We have calculated lifetimes of some excited levels, as well.

  19. Energy levels of odd-even nuclei using broken pair model

    SciTech Connect

    Hamammu, I. M.; Haq, S.; Eldahomi, J. M.

    2012-09-06

    A method to calculate energy levels and wave functions of odd-even nuclei, in the frame work of the broken pair model have been developed. The accuracy of the model has been tested by comparing the shell model results of limiting cases in which the broken pair model exactly coincides with the shell model, where there are two-proton/neutron + one-neutron/proton in the valence levels. The model is then applied to calculate the energy levels of some nuclei in the Zirconium region. The model results compare reasonably well with the shell model as well as with the experimental data.

  20. Starch levels on performance, milk composition and energy balance of lactating dairy cows.

    PubMed

    Carmo, Carolina Almeida; Batistel, Fernanda; de Souza, Jonas; Martinez, Junio Cesar; Correa, Paulo; Pedroso, Alexandre Mendonça; Santos, Flávio Augusto Portela

    2015-01-01

    The objective of this experiment was to evaluate the effects of starch levels in diets with the replacement of citrus pulp for corn on milk yield, milk composition, and energy balance of lactating dairy cows. Twenty-eight multiparous Holstein cows were used in seven 4 × 4 Latin squares conducted concurrently, and each experimental period consisted of 20 days (16 days for adaptation and 4 days for sampling). The experimental treatments comprised four starch levels: 15, 20, 25, and 30% in the diet. The dry matter intake increased linearly with increasing starch levels. The milk yield and 3.5% fat-corrected milk yield showed quadratic response to increasing starch levels. The milk protein content and milk total solids content responded linearly to increasing starch levels. The feed efficiency, milk lactose content, milk urea nitrogen, plasma urea nitrogen, and plasma glucose concentration were not affected by starch levels. The estimated net energy for lactation (NEL) intake increased linearly as the starch level was raised. Although the milk NEL output per kilogram of milk was not affected by starch, the milk NEL output daily responded quadratically to starch levels. In addition, the NEL in body weight gain also responded quadratically to increasing starch levels. The efficiency of energy use for milk yield and the NEL efficiency for production also responded quadratically to increasing starch levels. Diets for mid-lactating dairy cows producing around 30 kg/day of milk should be formulated to provide around 25% starch to optimize performance.

  1. Calculation of rotation-vibration energy levels of the ammonia molecule based on an ab initio potential energy surface

    NASA Astrophysics Data System (ADS)

    Polyansky, Oleg L.; Ovsyannikov, Roman I.; Kyuberis, Aleksandra A.; Lodi, Lorenzo; Tennyson, Jonathan; Yachmenev, Andrey; Yurchenko, Sergei N.; Zobov, Nikolai F.

    2016-09-01

    An ab initio potential energy surface (PES) for gas-phase ammonia NH3 has been computed using the methodology pioneered for water (Polyansky et al., 2013). Multireference configuration interaction calculations are performed at about 50 000 points using the aug-cc-pCVQZ and aug-cc-pCV5Z basis sets and basis set extrapolation. Relativistic and adiabatic surfaces are also computed. The points are fitted to a suitable analytical form, producing the most accurate ab initio PES for this molecule available. The rotation-vibration energy levels are computed using nuclear motion program TROVE in both linearised and curvilinear coordinates. Better convergence is obtained using curvilinear coordinates. Our results are used to assign the visible spectrum of 14NH3 recorded by Coy and Lehmann (1986). Rotation-vibration energy levels for the isotopologues NH2D, NHD2, ND3 and 15NH3 are also given. An ab initio value for the dissociation energy D0 of 14NH3 is also presented.

  2. First-Principles Approach to Energy Level Alignment at Aqueous Semiconductor Interfaces

    NASA Astrophysics Data System (ADS)

    Hybertsen, Mark

    2015-03-01

    We have developed a first principles method to calculate the energy level alignment between semiconductor band edges and reference energy levels at aqueous interfaces. This alignment is fundamental to understand the electrochemical characteristics of any semiconductor electrode in general and the potential for photocatalytic activity in particular. For example, in the search for new photo-catalytic materials, viable candidates must demonstrate both efficient absorption of the solar spectrum and an appropriate alignment of the band edge levels in the semiconductor to the redox levels for the target reactions. In our approach, the interface-specific contribution to the electrostatic step across the interface is evaluated using density functional theory (DFT) based molecular dynamics to sample the physical interface structure and the corresponding change in the electrostatic potential at the interface. The reference electronic levels in the semiconductor and in the water are calculated using the GW approach, which naturally corrects for errors inherent in the use of Kohn-Sham energy eigenvalues to approximate the electronic excitation energies in each material. Taken together, our calculations provide the alignment of the semiconductor valence band edge to the centroid of the highest occupied 1b1 level in water. The known relationship of the 1b1 level to the normal hydrogen electrode completes the connection to electrochemical levels. We discuss specific results for GaN, ZnO, and TiO2. The effect of interface structural motifs, such as different degrees of water dissociation, and of dynamical characteristics, will be presented together with available experimental data. Work supported by the US Department of Energy, Office of Basic Energy Sciences under Contract No. DE-AC02-98CH10886.

  3. Energy-optimal path planning by stochastic dynamically orthogonal level-set optimization

    NASA Astrophysics Data System (ADS)

    Subramani, Deepak N.; Lermusiaux, Pierre F. J.

    2016-04-01

    A stochastic optimization methodology is formulated for computing energy-optimal paths from among time-optimal paths of autonomous vehicles navigating in a dynamic flow field. Based on partial differential equations, the methodology rigorously leverages the level-set equation that governs time-optimal reachability fronts for a given relative vehicle-speed function. To set up the energy optimization, the relative vehicle-speed and headings are considered to be stochastic and new stochastic Dynamically Orthogonal (DO) level-set equations are derived. Their solution provides the distribution of time-optimal reachability fronts and corresponding distribution of time-optimal paths. An optimization is then performed on the vehicle's energy-time joint distribution to select the energy-optimal paths for each arrival time, among all stochastic time-optimal paths for that arrival time. Numerical schemes to solve the reduced stochastic DO level-set equations are obtained, and accuracy and efficiency considerations are discussed. These reduced equations are first shown to be efficient at solving the governing stochastic level-sets, in part by comparisons with direct Monte Carlo simulations. To validate the methodology and illustrate its accuracy, comparisons with semi-analytical energy-optimal path solutions are then completed. In particular, we consider the energy-optimal crossing of a canonical steady front and set up its semi-analytical solution using a energy-time nested nonlinear double-optimization scheme. We then showcase the inner workings and nuances of the energy-optimal path planning, considering different mission scenarios. Finally, we study and discuss results of energy-optimal missions in a wind-driven barotropic quasi-geostrophic double-gyre ocean circulation.

  4. The rapid bi-level exploration on the evolution of regional solar energy development

    NASA Astrophysics Data System (ADS)

    Guan, Qing; An, Haizhong; Li, Huajiao; Hao, Xiaoqing

    2017-01-01

    As one of the renewable energy, solar energy is experiencing increased but exploratory development worldwide. The positive or negative influences of regional characteristics, like economy, production capacity and allowance policies, make them have uneven solar energy development. In this paper, we aim at quickly exploring the features of provincial solar energy development, and their concerns about solar energy. We take China as a typical case, and combine text mining and two-actor networks. We find that the classification of levels based on certain nodes and the amount of degree avoids missing meaningful information that may be ignored by global level results. Moreover, eastern provinces are hot focus for the media, western countries are key to bridge the networks and special administrative region has local development features; third, most focus points are more about the application than the improvement of material. The exploration of news provides practical information to adjust researches and development strategies of solar energy. Moreover, the bi-level exploration, which can also be expanded to multi-level, is helpful for governments or researchers to grasp more targeted and precise knowledge.

  5. C sub 60 bonding and energy-level alignment on metal and semiconductor surfaces

    SciTech Connect

    Ohno, T.R.; Chen, Y.; Harvey, S.E.; Kroll, G.H.; Weaver, J.H. ); Haufler, R.E.; Smalley, R.E. )

    1991-12-15

    Electronic-structure studies of C{sub 60} condensed on metal surfaces show that the energy levels derived from the fullerene align with the substrate Fermi level, not the vacuum level. For thick layers grown on metals at 300 K, the binding energy of the C 1{ital s} main line was 284.7 eV and the center of the band derived from the highest occupied molecular orbital was 2.25 eV below the Fermi level. For monolayer amounts of C{sub 60} adsorbed on Au and Cr, however, the C 1{ital s} line was broadened asymmetrically and shifted to lower binding energy, the shakeup features were less distinct, and a band derived from the lowest unoccupied molecular orbital (LUMO) was shifted toward the Fermi level. These monolayer effects demonstrate partial occupancy of a LUMO-derived state, dipole formation, and changes in screening that are associated with LUMO occupancy. Results for C{sub 60} monolayers on {ital n}-type GaAs(110) show transfer of {le}0.02 electron per fullerene, as gauged by substrate band bending. For C{sub 60} on {ital p}-type GaAs, however, the bands remained flat because electron redistribution was not possible, and the C{sub 60}-derived energy levels were aligned to the substrate vacuum level.

  6. The relationship between energy intensity and income levels: Forecasting long term energy demand in Asian emerging countries

    SciTech Connect

    Galli, R. Univ. della Svizzera Italiana, Lugano . Facolta di Scienze Economiche)

    1998-01-01

    This paper analyzes long-term trends in energy intensity for ten Asian emerging countries to test for a non-monotonic relationship between energy intensity and income in the author's sample. Energy demand functions are estimated during 1973--1990 using a quadratic function of log income. The long-run coefficient on squared income is found to be negative and significant, indicating a change in trend of energy intensity. The estimates are then used to evaluate a medium-term forecast of energy demand in the Asian countries, using both a log-linear and a quadratic model. It is found that in medium to high income countries the quadratic model performs better than the log-linear, with an average error of 9% against 43% in 1995. For the region as a whole, the quadratic model appears more adequate with a forecast error of 16% against 28% in 1995. These results are consistent with a process of dematerialization, which occurs as a result of a reduction of resource use per unit of GDP once an economy passes some threshold level of GDP per capita.

  7. Study of energy education on the elementary level in Colorado: an evaluation of Energy and Man's Environment

    SciTech Connect

    Coffey, J.M.

    1981-01-01

    The purpose of this research was to evaluate a curriculum designed to improve energy education. The curriculum selected, Energy and Man's Environment (EME), was implemented in a typical Colorado school district. Approximately 530 fifth graders participated in the study, from ten schools, five control and five experimental. The program lasted for nine weeks, taking approximately three and one third hours of science time each week. Teachers in the experimental group attended twenty hours of inservice. This research examined the affective and cognitive effects of the EME curriculum on the students and considered the affective results of the EME program on teachers of the experimental and control groups. The two major conclusions of the research were: (1) Students who participate in a conscientiously implemented Energy and Man's Environment program can expect to raise their energy literacy level. (2) Students who participate in a conscientiously implemented Energy and Man's Environment program can expect to maintain their general cognitive gains for at least three months after the program.

  8. Unveiling universal trends for the energy level alignment in organic/oxide interfaces.

    PubMed

    Martínez, José I; Flores, Fernando; Ortega, José; Rangan, Sylvie; Ruggieri, Charles M; Bartynski, Robert A

    2017-09-20

    In this perspective we present a comprehensive analysis of the energy level alignment at the interface between an organic monolayer (organic = perylenetetracarboxylic dianhydride, PTCDA, zinc tetraphenylporphyrin, Zn-TPP, and tetracyanoquinodimethane, TCNQ) and a prototypical oxide surface, TiO2(110), looking for universal behaviours. PTCDA shows a physisorbed interaction with TiO2 and a small interface dipole potential with its highest occupied molecular orbital (HOMO) energy level located in the oxide energy gap and the lowest occupied molecular orbital (LUMO) energy level located above the oxide conduction band minimum, EC. We analyse how the interface barrier depends on an external bias potential between the organic layer and the oxide surface, Δ, and find for this interface that the screening parameter S = d|(EC - HOMO)|dΔ is close to 1. In the second case, the Zn-TPP monolayer shows a moderate chemisorbed interaction with some charge transfer from the molecule to the oxide and a significant interface dipole potential, in such a way that S decreases to around 0.8. In the TCNQ/TiO2(110) case, the TCNQ molecules present a strong chemical interaction with the oxide; the LUMO energy level is located in the oxide energy gap in such a way that one electron is transferred from the oxide to the organic molecule; we also find that in this case S ≈ 0.5. All these cases can be integrated within a universal behaviour when (EC - HOMO) is calculated as a function of Δ; that function presents a zig-zag curve with a central part having an S-slope, and two plateaus associated with either the LUMO or the HOMO energy levels crossing the oxide Fermi level. In these plateaus, a Coulomb blockade regime arises and a pace charge layer develops in the oxide surface.

  9. Energy levels of one-dimensional systems satisfying the minimal length uncertainty relation

    SciTech Connect

    Bernardo, Reginald Christian S. Esguerra, Jose Perico H.

    2016-10-15

    The standard approach to calculating the energy levels for quantum systems satisfying the minimal length uncertainty relation is to solve an eigenvalue problem involving a fourth- or higher-order differential equation in quasiposition space. It is shown that the problem can be reformulated so that the energy levels of these systems can be obtained by solving only a second-order quasiposition eigenvalue equation. Through this formulation the energy levels are calculated for the following potentials: particle in a box, harmonic oscillator, Pöschl–Teller well, Gaussian well, and double-Gaussian well. For the particle in a box, the second-order quasiposition eigenvalue equation is a second-order differential equation with constant coefficients. For the harmonic oscillator, Pöschl–Teller well, Gaussian well, and double-Gaussian well, a method that involves using Wronskians has been used to solve the second-order quasiposition eigenvalue equation. It is observed for all of these quantum systems that the introduction of a nonzero minimal length uncertainty induces a positive shift in the energy levels. It is shown that the calculation of energy levels in systems satisfying the minimal length uncertainty relation is not limited to a small number of problems like particle in a box and the harmonic oscillator but can be extended to a wider class of problems involving potentials such as the Pöschl–Teller and Gaussian wells.

  10. Energy levels of one-dimensional systems satisfying the minimal length uncertainty relation

    NASA Astrophysics Data System (ADS)

    Bernardo, Reginald Christian S.; Esguerra, Jose Perico H.

    2016-10-01

    The standard approach to calculating the energy levels for quantum systems satisfying the minimal length uncertainty relation is to solve an eigenvalue problem involving a fourth- or higher-order differential equation in quasiposition space. It is shown that the problem can be reformulated so that the energy levels of these systems can be obtained by solving only a second-order quasiposition eigenvalue equation. Through this formulation the energy levels are calculated for the following potentials: particle in a box, harmonic oscillator, Pöschl-Teller well, Gaussian well, and double-Gaussian well. For the particle in a box, the second-order quasiposition eigenvalue equation is a second-order differential equation with constant coefficients. For the harmonic oscillator, Pöschl-Teller well, Gaussian well, and double-Gaussian well, a method that involves using Wronskians has been used to solve the second-order quasiposition eigenvalue equation. It is observed for all of these quantum systems that the introduction of a nonzero minimal length uncertainty induces a positive shift in the energy levels. It is shown that the calculation of energy levels in systems satisfying the minimal length uncertainty relation is not limited to a small number of problems like particle in a box and the harmonic oscillator but can be extended to a wider class of problems involving potentials such as the Pöschl-Teller and Gaussian wells.

  11. Energy Use and Power Levels in New Monitors and Personal Computers

    SciTech Connect

    Roberson, Judy A.; Homan, Gregory K.; Mahajan, Akshay; Nordman, Bruce; Webber, Carrie A.; Brown, Richard E.; McWhinney, Marla; Koomey, Jonathan G.

    2002-07-23

    Our research was conducted in support of the EPA ENERGY STAR Office Equipment program, whose goal is to reduce the amount of electricity consumed by office equipment in the U.S. The most energy-efficient models in each office equipment category are eligible for the ENERGY STAR label, which consumers can use to identify and select efficient products. As the efficiency of each category improves over time, the ENERGY STAR criteria need to be revised accordingly. The purpose of this study was to provide reliable data on the energy consumption of the newest personal computers and monitors that the EPA can use to evaluate revisions to current ENERGY STAR criteria as well as to improve the accuracy of ENERGY STAR program savings estimates. We report the results of measuring the power consumption and power management capabilities of a sample of new monitors and computers. These results will be used to improve estimates of program energy savings and carbon emission reductions, and to inform rev isions of the ENERGY STAR criteria for these products. Our sample consists of 35 monitors and 26 computers manufactured between July 2000 and October 2001; it includes cathode ray tube (CRT) and liquid crystal display (LCD) monitors, Macintosh and Intel-architecture computers, desktop and laptop computers, and integrated computer systems, in which power consumption of the computer and monitor cannot be measured separately. For each machine we measured power consumption when off, on, and in each low-power level. We identify trends in and opportunities to reduce power consumption in new personal computers and monitors. Our results include a trend among monitor manufacturers to provide a single very low low-power level, well below the current ENERGY STAR criteria for sleep power consumption. These very low sleep power results mean that energy consumed when monitors are off or in active use has become more important in terms of contribution to the overall unit energy consumption (UEC

  12. Level sequence and splitting identification of closely spaced energy levels by angle-resolved analysis of fluorescence light

    NASA Astrophysics Data System (ADS)

    Wu, Z. W.; Volotka, A. V.; Surzhykov, A.; Dong, C. Z.; Fritzsche, S.

    2016-06-01

    The angular distribution and linear polarization of the fluorescence light following the resonant photoexcitation is investigated within the framework of density matrix and second-order perturbation theory. Emphasis has been placed on "signatures" for determining the level sequence and splitting of intermediate (partially) overlapping resonances, if analyzed as a function of photon energy of incident light. Detailed computations within the multiconfiguration Dirac-Fock method have been performed, especially for the 1 s22 s22 p63 s ,Ji=1 /2 +γ1→(1s22 s 2 p63 s ) 13 p3 /2,J =1 /2 ,3 /2 →1 s22 s22 p63 s ,Jf=1 /2 +γ2 photoexcitation and subsequent fluorescence emission of atomic sodium. A remarkably strong dependence of the angular distribution and linear polarization of the γ2 fluorescence emission is found upon the level sequence and splitting of the intermediate (1s22 s 2 p63 s ) 13 p3 /2,J =1 /2 ,3 /2 overlapping resonances owing to their finite lifetime (linewidth). We therefore suggest that accurate measurements of the angular distribution and linear polarization might help identify the sequence and small splittings of closely spaced energy levels, even if they cannot be spectroscopically resolved.

  13. Method and system for in vivo measurement of bone tissue using a two level energy source

    NASA Technical Reports Server (NTRS)

    Cameron, J. R.; Judy, P. F. (Inventor)

    1976-01-01

    Methods and apparatus are provided for radiologically determining the bone mineral content of living human bone tissue independently of the concurrent presence of adipose and other soft tissues. A target section of the body of the subject is irradiated with a beam of penetrative radiations of preselected energy to determine the attenuation of such beam with respect to the intensity of each of two radiations of different predetermined energy levels. The resulting measurements are then employed to determine bone mineral content.

  14. Advanced Quantum Mechanical Calculation of Superheavy Ions: Energy Levels, Radiation and Finite Nuclear Size Effects

    SciTech Connect

    Glushkov, Alexander V.; Gurnitskaya, E.P.; Loboda, A.V.

    2005-10-26

    Advanced quantum approach to calculation of spectra for superheavy ions with an account of relativistic, correlation, nuclear, radiative effects is developed and based on the gauge invariant quantum electrodynamics (QED) perturbation theory (PT). The Lamb shift polarization part is calculated in the Ueling approximation, self-energy part is defined within a new non-PT procedure of Ivanov-Ivanova. Calculation results for energy levels, hyperfine structure parameters of some heavy elements ions are presented.

  15. Engineering frontier energy levels in donor-acceptor fluoren-9-ylidene malononitriles versus fluorenones.

    PubMed

    Homnick, Paul J; Tinkham, Jonathan S; Devaughn, Raymond; Lahti, Paul M

    2014-01-16

    Donor-acceptor molecules incorporating fluoren-9-ylidene malononitrile acceptor units conjugated to trimethoxystyrene and/or diarylamine donor units were synthesized, and their electronic spectral properties and electrochemical behaviors were evaluated by comparison to those of the analogous fluorenones. Frontier energy level and optical transition energy trends are explained based on a quantitative, modular donor-acceptor interaction model. A connectivity effect on absorption transition moment strength is also described.

  16. Higher-order JWKB expressions for the energy levels and the wavefunction at the origin

    SciTech Connect

    Pasupathy, J.; Singh, V.

    1980-09-01

    An exact quantization condition is derived for the energy levels of a particle in a radial potential assumed finite at the origin. This is used to derive corrections to the semiclassical JWKB quantization condition. The normalization integral of the wavefunction is further related to the energy derivative of wavefunction at origin and use this expression to derive the corrections to the semiclassical JWKB expressions for the wavefunction at origin. An application to upsilon leptonic decay width is also given.

  17. High level predictions on the potential energy hypersurface of the nitric oxide dimer

    SciTech Connect

    Huang, Q.; Magers, D.H.; Leszczynski, J.

    1994-12-31

    The potential energy hypersurface of the NO dimer is investigated at the SCF and MP2 levels of theory using three spit-valence basis sets: 6-31G(d), 6-311G(2d), 6-311G(3df). Seven minimum energy conformers are identified. Their molecular structures, energetics, and harmonic vibrational frequencies are discussed and compared to available experimental data.

  18. Effect of a metallic gate on the energy levels of a shallow donor

    SciTech Connect

    Slachmuylders, A. F.; Partoens, B.; Peeters, F. M.; Magnus, W.

    2008-02-25

    We have investigated the effect of a metallic gate on the bound states of a shallow donor located near the gate. We calculate the energy spectrum as a function of the distance between the metallic gate and the donor and find an anticrossing behavior in the energy levels for certain distances. We show how a transverse electric field can tune the average position of the electron with respect to the metallic gate and the impurity.

  19. Capacity Payments in Restructured Markets under Low and High Penetration Levels of Renewable Energy

    SciTech Connect

    Jenkin, Thomas; Beiter, Philipp; Margolis, Robert

    2016-02-01

    Growing levels of variable renewable energy resources arguably create new challenges for capacity market designs, because variable renewable energy suppresses wholesale energy prices while providing relatively little capacity. This effect becomes more pronounced the higher the variable renewable energy penetration in a market. The purpose of this report is threefold. First, we provide a brief outline of the purpose and design of various capacity markets using administratively determined capacity demand curves. Second, we discuss some of the main challenges raised in existing literature and a set of interviews that we conducted with market participants, regulators, and observers. Third, we consider some of the challenges to capacity markets that arise with higher variable renewable energy penetration.

  20. Spectrum and energy levels of quadruply-ionized molybdenum (Mo V)

    NASA Astrophysics Data System (ADS)

    Reader, Joseph; Tauheed, Ahmad

    2015-07-01

    The spectrum of quadruply-ionized molybdenum Mo V was observed from 200 to 4700 Å with sliding spark discharges on 10.7 m normal- and grazing-incidence spectrographs. The existing analyses of this spectrum (Tauheed et al 1985 Phys. Scr. 31 369; Cabeza et al 1986 Phys. Scr. 34 223) were extended to include the 5s2, 5p2, 5s5d, 5s6s, 4d5f, and 4d5g configurations as well as the missing 3H6 level of 4d4f and about 75 levels of the core-excited configuration 4p54d3. The values of the 4d5d 1S0, 5s5p 1P1, and 4d6p 3P0 levels were revised. There are now about 900 lines classified as transitions between 66 even parity and 191 odd parity energy levels. Of these, about 600 lines and 130 levels are new. From the optimized energy level values, Ritz-type wavelengths were determined for about 380 lines, with uncertainties varying from 0.0003 to 0.002 Å. The observed configurations were theoretically interpreted by means of Hartree-Fock calculations and least-squares fits of the energy parameters to the observed levels. The fitted parameters were used to calculate oscillator strengths for all classified lines. A few unclassified lines and undesignated levels are also given. An improved value for the ionization energy was obtained by combining the observed energy of the 4d5g configuration with an ab initio calculation of its term value. The adopted value is 438 900 ± 150 cm-1 (54.417 ± 0.019 eV).

  1. Orbital Engineering in Nickelate Heterostructures Driven by Anisotropic Oxygen Hybridization rather than Orbital Energy Levels

    DOE PAGES

    Fabbris, G.; Meyers, D.; Okamoto, J.; ...

    2016-09-30

    We used resonant inelastic x-ray scattering to investigate the electronic origin of orbital polarization in nickelate heterostructures taking LaTiO3-LaNiO3-3×(LaAlO3), a system with exceptionally large polarization, as a model system. Furthermore, we find that heterostructuring generates only minor changes in the Ni 3d orbital energy levels, contradicting the often-invoked picture in which changes in orbital energy levels generate orbital polarization. Instead, O K-edge x-ray absorption spectroscopy demonstrates that orbital polarization is caused by an anisotropic reconstruction of the oxygen ligand hole states. This also provides an explanation for the limited success of theoretical predictions based on tuning orbital energy levels andmore » implies that future theories should focus on anisotropic hybridization as the most effective means to drive large changes in electronic structure and realize novel emergent phenomena.« less

  2. Van der Waals potential and vibrational energy levels of the ground state radon dimer

    NASA Astrophysics Data System (ADS)

    Sheng, Xiaowei; Qian, Shifeng; Hu, Fengfei

    2017-08-01

    In the present paper, the ground state van der Waals potential of the Radon dimer is described by the Tang-Toennies potential model, which requires five essential parameters. Among them, the two dispersion coefficients C6 and C8 are estimated from the well determined dispersion coefficients C6 and C8 of Xe2. C10 is estimated by using the approximation equation that C6C10/C82 has an average value of 1.221 for all the rare gas dimers. With these estimated dispersion coefficients and the well determined well depth De and Re the Born-Mayer parameters A and b are derived. Then the vibrational energy levels of the ground state radon dimer are calculated. 40 vibrational energy levels are observed in the ground state of Rn2 dimer. The last vibrational energy level is bound by only 0.0012 cm-1.

  3. Orbital Engineering in Nickelate Heterostructures Driven by Anisotropic Oxygen Hybridization rather than Orbital Energy Levels.

    PubMed

    Fabbris, G; Meyers, D; Okamoto, J; Pelliciari, J; Disa, A S; Huang, Y; Chen, Z-Y; Wu, W B; Chen, C T; Ismail-Beigi, S; Ahn, C H; Walker, F J; Huang, D J; Schmitt, T; Dean, M P M

    2016-09-30

    Resonant inelastic x-ray scattering is used to investigate the electronic origin of orbital polarization in nickelate heterostructures taking LaTiO_{3}-LaNiO_{3}-3×(LaAlO_{3}), a system with exceptionally large polarization, as a model system. We find that heterostructuring generates only minor changes in the Ni 3d orbital energy levels, contradicting the often-invoked picture in which changes in orbital energy levels generate orbital polarization. Instead, O K-edge x-ray absorption spectroscopy demonstrates that orbital polarization is caused by an anisotropic reconstruction of the oxygen ligand hole states. This provides an explanation for the limited success of theoretical predictions based on tuning orbital energy levels and implies that future theories should focus on anisotropic hybridization as the most effective means to drive large changes in electronic structure and realize novel emergent phenomena.

  4. The analysis and kinetic energy balance of an upper-level wind maximum during intense convection

    NASA Technical Reports Server (NTRS)

    Fuelberg, H. E.; Jedlovec, G. J.

    1982-01-01

    The purpose of this paper is to analyze the formation and maintenance of the upper-level wind maximum which formed between 1800 and 2100 GMT, April 10, 1979, during the AVE-SESAME I period, when intense storms and tornadoes were experienced (the Red River Valley tornado outbreak). Radiosonde stations participating in AVE-SESAME I are plotted (centered on Oklahoma). National Meteorological Center radar summaries near the times of maximum convective activity are mapped, and height and isotach plots are given, where the formation of an upper-level wind maximum over Oklahoma is the most significant feature at 300 mb. The energy balance of the storm region is seen to change dramatically as the wind maximum forms. During much of its lifetime, the upper-level wind maximum is maintained by ageostrophic flow that produces cross-contour generation of kinetic energy and by the upward transport of midtropospheric energy. Two possible mechanisms for the ageostrophic flow are considered.

  5. Orbital Engineering in Nickelate Heterostructures Driven by Anisotropic Oxygen Hybridization rather than Orbital Energy Levels

    SciTech Connect

    Fabbris, G.; Meyers, D.; Okamoto, J.; Pelliciari, J.; Disa, A. S.; Huang, Y.; Chen, Z. -Y.; Wu, W. B.; Chen, C. T.; Ismail-Beigi, S.; Ahn, C. H.; Walker, F. J.; Huang, D. J.; Schmitt, T.; Dean, M. P. M.

    2016-09-30

    We used resonant inelastic x-ray scattering to investigate the electronic origin of orbital polarization in nickelate heterostructures taking LaTiO3-LaNiO3-3×(LaAlO3), a system with exceptionally large polarization, as a model system. Furthermore, we find that heterostructuring generates only minor changes in the Ni 3d orbital energy levels, contradicting the often-invoked picture in which changes in orbital energy levels generate orbital polarization. Instead, O K-edge x-ray absorption spectroscopy demonstrates that orbital polarization is caused by an anisotropic reconstruction of the oxygen ligand hole states. This also provides an explanation for the limited success of theoretical predictions based on tuning orbital energy levels and implies that future theories should focus on anisotropic hybridization as the most effective means to drive large changes in electronic structure and realize novel emergent phenomena.

  6. Computing converged free energy differences between levels of theory via nonequilibrium work methods: Challenges and opportunities.

    PubMed

    Kearns, Fiona L; Hudson, Phillip S; Woodcock, Henry L; Boresch, Stefan

    2017-03-08

    We demonstrate that Jarzynski's equation can be used to reliably compute free energy differences between low and high level representations of systems. The need for such a calculation arises when employing the so-called "indirect" approach to free energy simulations with mixed quantum mechanical/molecular mechanical (QM/MM) Hamiltonians; a popular technique for circumventing extensive simulations involving quantum chemical computations. We have applied this methodology to several small and medium sized organic molecules, both in the gas phase and explicit solvent. Test cases include several systems for which the standard approach; that is, free energy perturbation between low and high level description, fails to converge. Finally, we identify three major areas in which the difference between low and high level representations make the calculation of ΔAlow→high difficult: bond stretching and angle bending, different preferred conformations, and the response of the MM region to the charge distribution of the QM region. © 2016 Wiley Periodicals, Inc.

  7. Correspondence between energy levels and evolution curves of fixed points in nonlinear Landau-Zener model

    NASA Astrophysics Data System (ADS)

    Liu, Xuan-Zuo; Tian, Dong-Ping; Chong, Bo

    2016-06-01

    Liu et al. [Phys. Rev. Lett. 90(17), 170404 (2003)] proved that the characters of transition probabilities in the adiabatic limit should be entirely determined by the topology of energy levels and the stability of fixed points in the classical Hamiltonian system, according to the adiabatic theorem. In the special case of nonlinear Landau-Zener model, we simplify their results to be that the properties of transition probabilities in the adiabatic limit should just be determined by the attributes of fixed points. It is because the topology of energy levels is governed by the behavior and symmetries of fixed points, and intuitively this fact is represented as a correspondence between energy levels and evolution curves of the fixed points which can be quantitatively described as the same complexity numbers.

  8. Intranasal insulin suppresses food intake via enhancement of brain energy levels in humans.

    PubMed

    Jauch-Chara, Kamila; Friedrich, Alexia; Rezmer, Magdalena; Melchert, Uwe H; G Scholand-Engler, Harald; Hallschmid, Manfred; Oltmanns, Kerstin M

    2012-09-01

    Cerebral insulin exerts anorexic effects in humans and animals. The underlying mechanisms, however, are not clear. Because insulin physiologically facilitates glucose uptake by most tissues of the body and thereby fosters intracellular energy supply, we hypothesized that intranasal insulin reduces food consumption via enhancement of the neuroenergetic level. In a double-blind, placebo-controlled, within-subject comparison, 15 healthy men (BMI 22.2 ± 0.37 kg/m(2)) aged 22-28 years were intranasally administered insulin (40 IU) or placebo after an overnight fast. Cerebral energy metabolism was assessed by (31)P magnetic resonance spectroscopy. At 100 min after spray administration, participants consumed ad libitum from a test buffet. Our data show that intranasal insulin increases brain energy (i.e., adenosine triphosphate and phosphocreatine levels). Cerebral energy content correlates inversely with subsequent calorie intake in the control condition. Moreover, the neuroenergetic rise upon insulin administration correlates with the consecutive reduction in free-choice calorie consumption. Brain energy levels may therefore constitute a predictive value for food intake. Given that the brain synchronizes food intake behavior in dependence of its current energetic status, a future challenge in obesity treatment may be to therapeutically influence cerebral energy homeostasis. Intranasal insulin, after optimizing its application schema, seems a promising option in this regard.

  9. High-level correlated approach to the jellium surface energy, without uniform-gas input.

    PubMed

    Constantin, Lucian A; Pitarke, J M; Dobson, J F; Garcia-Lekue, A; Perdew, John P

    2008-01-25

    We resolve the long-standing controversy over the metal surface energy: Density-functional methods that require uniform-electron-gas input agree with each other, but not with high-level correlated calculations such as Fermi hypernetted chain and diffusion Monte Carlo calculations that predict the uniform-gas correlation energy. Here we apply the inhomogeneous Singwi-Tosi-Land-Sjölander method, and find that the density functionals are indeed reliable (because the surface energy is bulklike). Our work also vindicates the use of uniform-gas-based nonlocal kernels in time-dependent density-functional theory.

  10. Ab initio study of energy-level alignments in polymer-dye blends

    NASA Astrophysics Data System (ADS)

    Pasveer, W. F.; Bobbert, P. A.; Michels, M. A. J.; Langeveld-Voss, B. M. W.; Schoo, H. F. M.; Bastiaansen, J. J. A. M.

    2003-11-01

    Polymers with a small amount of dye blended in offer an attractive possibility to change the color of the emitted light by changing the dye. We present ab initio calculations within density-functional theory of the HOMO/LUMO energies for dipyrrolomethane dyes, polyphenylenevinylene and polyfluorene. Special attention is paid to the trends in these energies with variation of the sidegroups of the dyes as observed in cyclic-voltammetry measurements. From the energy-level alignments between dye and polymer we can understand and predict electron and hole trapping, crucial processes for the functioning of light-emitting devices based on these blends.

  11. The levelized cost of energy for distributed PV : a parametric study.

    SciTech Connect

    Goodrich, Alan C.; Cameron, Christopher P.

    2010-06-01

    The maturation of distributed solar PV as an energy source requires that the technology no longer compete on module efficiency and manufacturing cost ($/Wp) alone. Solar PV must yield sufficient energy (kWh) at a competitive cost (c/kWh) to justify its system investment and ongoing maintenance costs. These metrics vary as a function of system design and interactions between parameters, such as efficiency and area-related installation costs. The calculation of levelized cost of energy includes energy production and costs throughout the life of the system. The life of the system and its components, the rate at which performance degrades, and operation and maintenance requirements all affect the cost of energy. Cost of energy is also affected by project financing and incentives. In this paper, the impact of changes in parameters such as efficiency and in assumptions about operating and maintenance costs, degradation rate and system life, system design, and financing will be examined in the context of levelized cost of energy.

  12. Intrinsic deep hole trap levels in Cu2O with self-consistent repulsive Coulomb energy

    NASA Astrophysics Data System (ADS)

    Huang, Bolong

    2016-03-01

    The large error of the DFT+U method on full-filled shell metal oxides is due to the residue of self-energy from the localized d orbitals of cations and p orbitals of the anions. U parameters are selfconsistently found to achieve the analytical self-energy cancellation. The improved band structures based on relaxed lattices of Cu2O are shown based on minimization of self-energy error. The experimentally reported intrinsic p-type trap levels are contributed by both Cu-vacancy and the O-interstitial defects in Cu2O. The latter defect has the lowest formation energy but contributes a deep hole trap level while the Cuvacancy has higher energy cost but acting as a shallow acceptor. Both present single-particle levels spread over nearby the valence band edge, consistent to the trend of defects transition levels. By this calculation approach, we also elucidated the entanglement of strong p-d orbital coupling to unravel the screened Coulomb potential of fully filled shells.

  13. Level set method coupled with Energy Image features for brain MR image segmentation.

    PubMed

    Punga, Mirela Visan; Gaurav, Rahul; Moraru, Luminita

    2014-06-01

    Up until now, the noise and intensity inhomogeneity are considered one of the major drawbacks in the field of brain magnetic resonance (MR) image segmentation. This paper introduces the energy image feature approach for intensity inhomogeneity correction. Our approach of segmentation takes the advantage of image features and preserves the advantages of the level set methods in region-based active contours framework. The energy image feature represents a new image obtained from the original image when the pixels' values are replaced by local energy values computed in the 3×3 mask size. The performance and utility of the energy image features were tested and compared through two different variants of level set methods: one as the encompassed local and global intensity fitting method and the other as the selective binary and Gaussian filtering regularized level set method. The reported results demonstrate the flexibility of the energy image feature to adapt to level set segmentation framework and to perform the challenging task of brain lesion segmentation in a rather robust way.

  14. Energy levels, radiative rates, and lifetimes for transitions in W LVIII

    SciTech Connect

    Aggarwal, Kanti M. Keenan, Francis P.

    2014-11-15

    Energy levels and radiative rates are reported for transitions in Cl-like W LVIII. Configuration interaction (CI) has been included among 44 configurations (generating 4978 levels) over a wide energy range up to 363 Ryd, and the general-purpose relativistic atomic structure package (GRASP) adopted for the calculations. Since no other results of comparable complexity are available, calculations have also been performed with the flexible atomic code (FAC), which help in assessing the accuracy of our results. Energies are listed for the lowest 400 levels (with energies up to ∼98 Ryd), which mainly belong to the 3s{sup 2}3p{sup 5}, 3s3p{sup 6}, 3s{sup 2}3p{sup 4}3d, 3s{sup 2}3p{sup 3}3d{sup 2}, 3s3p{sup 4}3d{sup 2}, 3s{sup 2}3p{sup 2}3d{sup 3}, and 3p{sup 6}3d configurations, and radiative rates are provided for four types of transitions, i.e. E1, E2, M1, and M2. Our energy levels are assessed to be accurate to better than 0.5%, whereas radiative rates (and lifetimes) should be accurate to better than 20% for a majority of the strong transitions.

  15. A new accurate ground-state potential energy surface of ethylene and predictions for rotational and vibrational energy levels

    SciTech Connect

    Delahaye, Thibault Rey, Michaël Tyuterev, Vladimir G.; Nikitin, Andrei; Szalay, Péter G.

    2014-09-14

    In this paper we report a new ground state potential energy surface for ethylene (ethene) C{sub 2}H{sub 4} obtained from extended ab initio calculations. The coupled-cluster approach with the perturbative inclusion of the connected triple excitations CCSD(T) and correlation consistent polarized valence basis set cc-pVQZ was employed for computations of electronic ground state energies. The fit of the surface included 82 542 nuclear configurations using sixth order expansion in curvilinear symmetry-adapted coordinates involving 2236 parameters. A good convergence for variationally computed vibrational levels of the C{sub 2}H{sub 4} molecule was obtained with a RMS(Obs.–Calc.) deviation of 2.7 cm{sup −1} for fundamental bands centers and 5.9 cm{sup −1} for vibrational bands up to 7800 cm{sup −1}. Large scale vibrational and rotational calculations for {sup 12}C{sub 2}H{sub 4}, {sup 13}C{sub 2}H{sub 4}, and {sup 12}C{sub 2}D{sub 4} isotopologues were performed using this new surface. Energy levels for J = 20 up to 6000 cm{sup −1} are in a good agreement with observations. This represents a considerable improvement with respect to available global predictions of vibrational levels of {sup 13}C{sub 2}H{sub 4} and {sup 12}C{sub 2}D{sub 4} and rovibrational levels of {sup 12}C{sub 2}H{sub 4}.

  16. An efficient method for energy levels calculation using full symmetry and exact kinetic energy operator: tetrahedral molecules.

    PubMed

    Nikitin, A V; Rey, M; Tyuterev, Vl G

    2015-03-07

    A simultaneous use of the full molecular symmetry and of an exact kinetic energy operator (KEO) is of key importance for accurate predictions of vibrational levels at a high energy range from a potential energy surface (PES). An efficient method that permits a fast convergence of variational calculations would allow iterative optimization of the PES parameters using experimental data. In this work, we propose such a method applied to tetrahedral AB4 molecules for which a use of high symmetry is crucial for vibrational calculations. A symmetry-adapted contracted angular basis set for six redundant angles is introduced. Simple formulas using this basis set for explicit calculation of the angular matrix elements of KEO and PES are reported. The symmetric form (six redundant angles) of vibrational KEO without the sin(q)(-2) type singularity is derived. The efficient recursive algorithm based on the tensorial formalism is used for the calculation of vibrational matrix elements. A good basis set convergence for the calculations of vibrational levels of the CH4 molecule is demonstrated.

  17. An efficient method for energy levels calculation using full symmetry and exact kinetic energy operator: Tetrahedral molecules

    SciTech Connect

    Nikitin, A. V.; Rey, M.; Tyuterev, Vl. G.

    2015-03-07

    A simultaneous use of the full molecular symmetry and of an exact kinetic energy operator (KEO) is of key importance for accurate predictions of vibrational levels at a high energy range from a potential energy surface (PES). An efficient method that permits a fast convergence of variational calculations would allow iterative optimization of the PES parameters using experimental data. In this work, we propose such a method applied to tetrahedral AB{sub 4} molecules for which a use of high symmetry is crucial for vibrational calculations. A symmetry-adapted contracted angular basis set for six redundant angles is introduced. Simple formulas using this basis set for explicit calculation of the angular matrix elements of KEO and PES are reported. The symmetric form (six redundant angles) of vibrational KEO without the sin(q){sup −2} type singularity is derived. The efficient recursive algorithm based on the tensorial formalism is used for the calculation of vibrational matrix elements. A good basis set convergence for the calculations of vibrational levels of the CH{sub 4} molecule is demonstrated.

  18. Tuning the HOMO and LUMO energy levels of organic chromophores for dye sensitized solar cells.

    PubMed

    Hagberg, Daniel P; Marinado, Tannia; Karlsson, Karl Martin; Nonomura, Kazuteru; Qin, Peng; Boschloo, Gerrit; Brinck, Tore; Hagfeldt, Anders; Sun, Licheng

    2007-12-07

    A series of organic chromophores have been synthesized in order to approach optimal energy level composition in the TiO2-dye-iodide/triiodide system in the dye-sensitized solar cells. HOMO and LUMO energy level tuning is achieved by varying the conjugation between the triphenylamine donor and the cyanoacetic acid acceptor. This is supported by spectral and electrochemical experiments and TDDFT calculations. These results show that energetic tuning of the chromophores was successful and fulfilled the thermodynamic criteria for dye-sensitized solar cells, electrical losses depending on the size and orientation of the chromophores were observed.

  19. New blue emissive conjugated small molecules with low lying HOMO energy levels for optoelectronic applications

    NASA Astrophysics Data System (ADS)

    Trupthi Devaiah, C.; Hemavathi, B.; Ahipa, T. N.

    2017-03-01

    Versatile conjugated small molecules bearing cyanopyridone core (CP1-5), composed of various donor/acceptor moieties at position - 4 and - 6 have been designed, developed and characterized. Their solvatochromic studies were conducted and analyzed using Lippert-Mataga, Kamlet-Taft and Catalan solvent scales and interesting results were obtained. The polarizability/dipolarity of the solvent greatly influenced the spectra. The electrochemical studies were carried out using cyclic voltammetry to calculate the HOMO-LUMO energy levels. The study revealed that the synthesized conjugated small molecules possess low lying HOMO energy levels which can be exploited for application in various fields of optoelectronics.

  20. Energy levels and zero field splitting parameter for Fe2+ doped in ZnS

    NASA Astrophysics Data System (ADS)

    Ivaşcu, Simona

    2013-11-01

    The aim of present paper is to report the results on the modeling of the crystal field parameters of Fe2+ doped in host matrix ZnS, simulate the energy levels scheme and calculate the zero field splitting parameter D of such system. The crystal field parameters were modeled in the frame of the superposition model of crystal field and the simulation of the energy levels scheme and calculation of the zero field splitting parameters done by diagonalization the Hamiltonian of Fe2+:ZnS system. The obtained results were disscused and compared with experimental data. Satisfactory agreement have been obtained.

  1. Effects of diagnostic levels of color Doppler ultrasound energy on the cell cycle of newborn rats.

    PubMed

    Zhu, J; Lin, J; Zhu, Z; Shou, W; Bi, D; Shi, L

    1999-04-01

    Our objective was to evaluate the safety of diagnostic levels of color Doppler ultrasound energy in the field of obstetrics and to provide the experimental data for its clinical application. After insonating pregnant rats with diagnostic levels of color Doppler ultrasound energy, we studied the cell cycles of the newborn rats by flow cytometry and factorial analysis. We found that the deoxyribonucleic acid content was not affected in any phase of the cell cycle in newborn rats by any of the different insonation times and frequencies.

  2. Time resolved resonant photoemission study of energy level alignment at donor/acceptor interfaces

    NASA Astrophysics Data System (ADS)

    Costantini, R.; Pincelli, T.; Cossaro, A.; Verdini, A.; Goldoni, A.; Cichoň, S.; Caputo, M.; Pedio, M.; Panaccione, G.; Silly, M. G.; Sirotti, F.; Morgante, A.; Dell'Angela, M.

    2017-09-01

    The knowledge of the picosecond dynamics of the energy level alignment between donor and acceptor materials in organic photovoltaic devices under working conditions is a challenge for fundamental material research. We measured by means of time-resolved Resonant X-ray Photoemission Spectroscopy (RPES) the energy level alignment in ZnPc/C60 films. We employed 800 nm femtosecond laser pulses to pump the system simulating sunlight excitation and X-rays from the synchrotron as a probe. We measured changes in the valence bands due to pump induced modifications of the interface dipole. Our measurements prove the feasibility of time-resolved RPES with high repetition rate sources.

  3. Level statistics and eigenfunctions of pseudointegrable systems: dependence on energy and genus number.

    PubMed

    Hlushchuk, Yuriy; Russ, Stefanie

    2003-07-01

    We study the level statistics (second half moment I0 and rigidity Delta(3)) and the eigenfunctions of pseudointegrable systems with rough boundaries of different genus numbers g. We find that the levels form energy intervals with a characteristic behavior of the level statistics and the eigenfunctions in each interval. At low enough energies, the boundary roughness is not resolved and accordingly the eigenfunctions are quite regular functions and the level statistics shows Poisson-like behavior. At higher energies, the level statistics of most systems moves from Poisson-like toward Wigner-like behavior with increasing g. On investigating the wave functions, we find many chaotic functions that can be described as a random superposition of regular wave functions. The amplitude distribution P(psi) of these chaotic functions was found to be Gaussian with the typical value of the localization volume V(loc) approximately equal 0.33. For systems with periodic boundaries we find several additional energy regimes, where I0 is relatively close to the Poisson limit. In these regimes, the eigenfunctions are either regular or localized functions, where P(psi) is close to the distribution of a sine or cosine function in the first case and strongly peaked in the second case. An interesting intermediate case between chaotic and localized eigenfunctions also appears.

  4. Associations Between Neurotransmitter Genes and Fatigue and Energy Levels in Women After Breast Cancer Surgery.

    PubMed

    Eshragh, Jasmine; Dhruva, Anand; Paul, Steven M; Cooper, Bruce A; Mastick, Judy; Hamolsky, Deborah; Levine, Jon D; Miaskowski, Christine; Kober, Kord M

    2017-01-01

    Fatigue is a common problem in oncology patients. Less is known about decrements in energy levels and the mechanisms that underlie both fatigue and energy. In patients with breast cancer, variations in neurotransmitter genes between lower and higher fatigue latent classes and between the higher and lower energy latent classes were evaluated. Patients completed assessments before and monthly for six months after surgery. Growth mixture modeling was used to identify distinct latent classes for fatigue severity and energy levels. Thirty candidate genes involved in various aspects of neurotransmission were evaluated. Eleven single-nucleotide polymorphisms or haplotypes (i.e., ADRB2 rs1042718, BDNF rs6265, COMT rs9332377, CYP3A4 rs4646437, GALR1 rs949060, GCH1 rs3783642, NOS1 rs9658498, NOS1 rs2293052, NPY1R Haplotype A04, SLC6A2 rs17841327, and 5HTTLPR + rs25531 in SLC6A4) were associated with latent class membership for fatigue. Seven single-nucleotide polymorphisms or haplotypes (i.e., NOS1 rs471871, SLC6A1 rs2675163, SLC6A1 Haplotype D01, SLC6A2 rs36027, SLC6A3 rs37022, SLC6A4 rs2020942, and TAC1 rs2072100) were associated with latent class membership for energy. Three of 13 genes (i.e., NOS1, SLC6A2, and SLC6A4) were associated with latent class membership for both fatigue and energy. Molecular findings support the hypothesis that fatigue and energy are distinct, yet related symptoms. Results suggest that a large number of neurotransmitters play a role in the development and maintenance of fatigue and energy levels in breast cancer patients. Copyright © 2016 American Academy of Hospice and Palliative Medicine. Published by Elsevier Inc. All rights reserved.

  5. Vibrational Energy Levels via Finite-Basis Calculations Using a Quasi-Analytic Form of the Kinetic Energy.

    PubMed

    Vázquez, Juana; Harding, Michael E; Stanton, John F; Gauss, Jürgen

    2011-05-10

    A variational method for the calculation of low-lying vibrational energy levels of molecules with small amplitude vibrations is presented. The approach is based on the Watson Hamiltonian in rectilinear normal coordinates and characterized by a quasi-analytic integration over the kinetic energy operator (KEO). The KEO beyond the harmonic approximation is represented by a Taylor series in terms of the rectilinear normal coordinates around the equilibrium configuration. This formulation of the KEO enables its extension to arbitrary order until numerical convergence is reached for those states describing small amplitude motions and suitably represented with a rectilinear system of coordinates. A Gauss-Hermite quadrature grid representation of the anharmonic potential is used for all the benchmark examples presented. Results for a set of molecules with linear and nonlinear configurations, i.e., CO2, H2O, and formyl fluoride (HFCO), illustrate the performance of the method and the versatility of our implementation.

  6. Influence of lanthanide ion energy levels on luminescence of corresponding metalloporphyrins.

    PubMed

    Zhao, Huimin; Zang, Lixin; Guo, Chengshan

    2017-03-15

    Lanthanide (Ln) porphyrins exhibit diverse luminescence properties that have not been fully explained yet. A series of Ln ions (Ln ions = La(3+), Ce(3+), Pr(3+), Nd(3+), Sm(3+), Eu(3+), Gd(3+), Tb(3+), Dy(3+), Ho(3+), Er(3+), Tm(3+), Yb(3+), and Lu(3+)) were coordinated with hematoporphyrin monomethyl ether (HMME), and their luminescence properties and related differences were studied. Spectral analysis indicated that all Ln-HMMEs exhibit fluorescence emission. Gd- and Lu-HMMEs were the only lanthanide-HMMEs displaying strong molecular π-π room-temperature phosphorescence (RTP) with quantum yield ΦP > 10(-3). Tb(3+) can also induce RTP from HMME but ΦP of Tb-HMME is much smaller (ΦP ∼ 10(-4)). The observed luminescence property differences were analyzed in detail, focusing on the 4f energy levels of Ln ions. These levels mostly lie below the lowest singlet (S1) and triplet (T1) excited states of HMME, resulting in energy transfer from the T1 state in HMME to Ln ions and, therefore, in the absence of RTP from the corresponding metalloporphyrins. Gd(3+) and Lu(3+) are the only lanthanide ions not possessing such 4f energy levels, avoiding T1 quenching in Gd- and Lu-HMMEs. Although Tb(3+) has low-lying 4f energy levels, the corresponding transition from the ground state is partly forbidden, resulting in weak energy transfer from HMME to Tb(3+) that accounts for the low RTP quantum yield of the corresponding complex. Thus, our results indicate that the luminescence property differences of lanthanide porphyrins are due to the disparate energy levels of the Ln ions.

  7. Energy levels and radiative transition rates for Ge XXXI, As XXXII, and Se XXXIII

    SciTech Connect

    Aggarwal, Sunny Singh, J.; Jha, A.K.S.; Mohan, Man

    2014-07-15

    Fine-structure energies of the 67 levels belonging to the 1s{sup 2}, 1s 2l, 1s3l, 1s4l, 1s5l, and 1s6l configurations of Ge XXXI, As XXXII, and Se XXXIII have been calculated using the General-Purpose Relativistic Atomic Structure Package. In addition, radiative rates, oscillator strengths, transition wavelengths, and line strengths have been calculated for all electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole transitions among these levels. Lifetimes are also presented for all excited levels of these three ions. We have compared our results with the results available in the literature and the accuracy of the data is assessed. We predict new energy levels, oscillator strengths, and transition probabilities where no other theoretical or experimental results are available, which will form the basis for future experimental work.

  8. Effects of Seismological and Soil Parameters on Earthquake Energy demand in Level Ground Sand Deposits

    NASA Astrophysics Data System (ADS)

    nabili, sara; shahbazi majd, nafiseh

    2013-04-01

    any specified level were estimated by three several method including the strain energy in which is the areas of hysteresis loops, the arias intensity and the kinetic energy computed from the acceleration time histories at its corresponding level. Finally, the dependency of the demand energy to the soil and seismological parameters was shown by means of several diagrams.

  9. On-Site Renewable Energy and Green Buildings: A System-Level Analysis.

    PubMed

    Al-Ghamdi, Sami G; Bilec, Melissa M

    2016-05-03

    Adopting a green building rating system (GBRSs) that strongly considers use of renewable energy can have important environmental consequences, particularly in developing countries. In this paper, we studied on-site renewable energy and GBRSs at the system level to explore potential benefits and challenges. While we have focused on GBRSs, the findings can offer additional insight for renewable incentives across sectors. An energy model was built for 25 sites to compute the potential solar and wind power production on-site and available within the building footprint and regional climate. A life-cycle approach and cost analysis were then completed to analyze the environmental and economic impacts. Environmental impacts of renewable energy varied dramatically between sites, in some cases, the environmental benefits were limited despite the significant economic burden of those renewable systems on-site and vice versa. Our recommendation for GBRSs, and broader policies and regulations, is to require buildings with higher environmental impacts to achieve higher levels of energy performance and on-site renewable energy utilization, instead of fixed percentages.

  10. Examination of level density prescriptions for the interpretation of high-energy γ -ray spectra

    NASA Astrophysics Data System (ADS)

    Bhattacharya, Srijit; Pandit, Deepak; Dey, Balaram; Mondal, Debasish; Mukhopadhyay, S.; Pal, Surajit; De, A.; Banerjee, S. R.

    2014-11-01

    High-energy γ -ray spectra measured by our group involving the compound nuclei (CN) 63Cu at excitation energy E*˜36 MeV with average angular momentum J =12 -17 ℏ , 97Tc at E*˜29 -50 MeV with J =12 -14 ℏ , 113Sb at E*=109 and 121 MeV with J =49 -59 ℏ , and 201Tl at E*=39.5 and 47.5 MeV with J =18 -24 ℏ have been analyzed utilizing the level density prescriptions of (i) Ignatyuk, Smirenkin, and Tishin (IST), (ii) Budtz-Jorgensen and Knitter (BJK), and (iii) Kataria, Ramamurthy, and Kapoor (KRK). These three prescriptions have been tested for the correct statistical model description of high-energy γ rays in the light of extracting the giant dipole resonance (GDR) parameters at low excitation energy and spin where shell effects might play an important role, as well as at high excitation energy where shell effects have melted. Interestingly, only the IST level density prescription could explain the high-energy γ -ray spectra with reasonable GDR parameters for all four nuclei.

  11. Extensive and accurate energy levels and transition rates for Al-like Zn XVIII

    NASA Astrophysics Data System (ADS)

    Si, R.; Zhang, C. Y.; Liu, Y. W.; Chen, Z. B.; Guo, X. L.; Li, S.; Yan, J.; Chen, C. Y.; Wang, K.

    2017-03-01

    Energy levels and transition rates for electric-dipole (E1), electric-quadrupole (E2), magnetic-dipole (M1), and magnetic-quadrupole (M2) transitions of the lowest 393 levels arising from the 3l3 (0 ≤ l ⩽ 2), 3s2 4 l (0 ≤ l ⩽ 3), 3 s 3 p 4 l (0 ≤ l ⩽ 3), 3p2 4 l (0 ≤ l ⩽ 2), 3 s 3 d 4 l (0 ≤ l ⩽ 1), and 3s2 5 l (0 ≤ l ⩽ 4) configurations in Al-like Zn are calculated through the multi-configuration Dirac-Hartree-Fock (MCDHF) method and second-order many-body perturbation theory (MBPT). In the MCDHF calculation, valence-valence and core-valence correlations with the 2 p and 2 s electrons are taken into account. The effect of Breit interaction and quantum electrodynamics corrections on excitation level energies and level lifetimes are assessed though the MCDHF and MBPT calculations. The two sets of level energies are in excellent agreement of better than 0.1%, while the level lifetimes mostly agree to within 2%. Comparisons are also made with experimental measurements and other theoretical results to assess the accuracy of our calculations.

  12. Energy level alignment at hybridized organic-metal interfaces from a GW projection approach

    NASA Astrophysics Data System (ADS)

    Chen, Yifeng; Tamblyn, Isaac; Quek, Su Ying

    Energy level alignments at organic-metal interfaces are of profound importance in numerous (opto)electronic applications. Standard density functional theory (DFT) calculations generally give incorrect energy level alignments and missing long-range polarization effects. Previous efforts to address this problem using the many-electron GW method have focused on physisorbed systems where hybridization effects are insignificant. Here, we use state-of-the-art GW methods to predict the level alignment at the amine-Au interface, where molecular levels do hybridize with metallic states. This non-trivial hybridization implies that DFT result is a poor approximation to the quasiparticle states. However, we find that the self-energy operator is approximately diagonal in the molecular basis, allowing us to use a projection approach to predict the level alignments. Our results indicate that the metallic substrate reduces the HOMO-LUMO gap by 3.5 4.0 eV, depending on the molecular coverage/presence of Au adatoms. Our GW results are further compared with those of a simple image charge model that describes the level alignment in physisorbed systems. Syq and YC acknowledge Grant NRF-NRFF2013-07 and the medium-sized centre program from the National Research Foundation, Singapore.

  13. Variational Calculations of Ro-Vibrational Energy Levels and Transition Intensities for Tetratomic Molecules

    NASA Technical Reports Server (NTRS)

    Schwenke, David W.; Langhoff, Stephen R. (Technical Monitor)

    1995-01-01

    A description is given of an algorithm for computing ro-vibrational energy levels for tetratomic molecules. The expressions required for evaluating transition intensities are also given. The variational principle is used to determine the energy levels and the kinetic energy operator is simple and evaluated exactly. The computational procedure is split up into the determination of one dimensional radial basis functions, the computation of a contracted rotational-bending basis, followed by a final variational step coupling all degrees of freedom. An angular basis is proposed whereby the rotational-bending contraction takes place in three steps. Angular matrix elements of the potential are evaluated by expansion in terms of a suitable basis and the angular integrals are given in a factorized form which simplifies their evaluation. The basis functions in the final variational step have the full permutation symmetries of the identical particles. Sample results are given for HCCH and BH3.

  14. First-principles approach to calculating energy level alignment at aqueous semiconductor interfaces

    DOE PAGES

    Kharche, Neerav; Muckerman, James T.; Hybertsen, Mark S.

    2014-10-21

    A first-principles approach is demonstrated for calculating the relationship between an aqueous semiconductor interface structure and energy level alignment. The physical interface structure is sampled using density functional theory based molecular dynamics, yielding the interface electrostatic dipole. The GW approach from many-body perturbation theory is used to place the electronic band edge energies of the semiconductor relative to the occupied 1b₁ energy level in water. The application to the specific cases of nonpolar (101¯0 ) facets of GaN and ZnO reveals a significant role for the structural motifs at the interface, including the degree of interface water dissociation and themore » dynamical fluctuations in the interface Zn-O and O-H bond orientations. As a result, these effects contribute up to 0.5 eV.« less

  15. First-principles approach to calculating energy level alignment at aqueous semiconductor interfaces

    SciTech Connect

    Kharche, Neerav; Muckerman, James T.; Hybertsen, Mark S.

    2014-10-21

    A first-principles approach is demonstrated for calculating the relationship between an aqueous semiconductor interface structure and energy level alignment. The physical interface structure is sampled using density functional theory based molecular dynamics, yielding the interface electrostatic dipole. The GW approach from many-body perturbation theory is used to place the electronic band edge energies of the semiconductor relative to the occupied 1benergy level in water. The application to the specific cases of nonpolar (101¯0 ) facets of GaN and ZnO reveals a significant role for the structural motifs at the interface, including the degree of interface water dissociation and the dynamical fluctuations in the interface Zn-O and O-H bond orientations. As a result, these effects contribute up to 0.5 eV.

  16. A comparison of fatigue and energy levels at 6 weeks and 14 to 19 months postpartum.

    PubMed

    Troy, N W

    1999-05-01

    It has been assumed that women recover from pregnancy and childbirth within 6 weeks. Recent research shows that women's fatigue levels are the same, or higher, at 6 weeks postpartum as at the time of delivery. This study determined the differences in primiparous women's fatigue and energy levels at 6 weeks and 14 to 19 months postpartum. Determinations of how some contributing factors and outcomes of postpartum fatigue relate to each other and to fatigue and energy at 14 to 19 months postpartum were also made. Analyses revealed that women are more fatigued and less energetic at 14 to 19 months than they were at 6 weeks postpartum. Quality of sleep did not correlate with fatigue or energy. At 14 to 19 months postpartum return to full functional status is almost complete, with household and infant care responsibilities being most complete. The women were experiencing mild life crises of various sorts, were somewhat depressed, and were gratified in the mothering role.

  17. Energy levels and radiative data for Kr-like W38+ from MCDHF and RMBPT calculations

    NASA Astrophysics Data System (ADS)

    Guo, XueLing; Grumer, Jon; Brage, Tomas; Si, Ran; Chen, ChongYang; Jönsson, Per; Wang, Kai; Yan, Jun; Hutton, Roger; Zou, YaMing

    2016-07-01

    Energies, transition rates, line strengths and lifetimes have been computed for all levels of the 4p 6 and 4p 54d configurations of W38+ by using the multi-configuration Dirac-Hartree-Fock (MCDHF) method as well as relativistic many-body perturbation theory. We investigate systematically correlation, relativistic and quantum electro-dynamical (QED) effects of different properties, including excitation energies and transition rates. We demonstrate that it is important to include the core-valence correlation of rather deep subshells (including 3d and 3p) to reach close to spectroscopic accuracy for the transition energies. We also show that high-multipole transitions (E3, M2) are important for the lifetime of some metastable levels of 4p 54d ({}3{F}3,{}1{D}2,{}3{D}2). The present results are in good agreement with experiments and of considerably higher accuracy than those achieved in previous theoretical works.

  18. First-Principles Approach to Calculating Energy Level Alignment at Aqueous Semiconductor Interfaces

    NASA Astrophysics Data System (ADS)

    Kharche, Neerav; Muckerman, James T.; Hybertsen, Mark S.

    2014-10-01

    A first-principles approach is demonstrated for calculating the relationship between an aqueous semiconductor interface structure and energy level alignment. The physical interface structure is sampled using density functional theory based molecular dynamics, yielding the interface electrostatic dipole. The GW approach from many-body perturbation theory is used to place the electronic band edge energies of the semiconductor relative to the occupied 1b1 energy level in water. The application to the specific cases of nonpolar (101 ¯0) facets of GaN and ZnO reveals a significant role for the structural motifs at the interface, including the degree of interface water dissociation and the dynamical fluctuations in the interface Zn-O and O-H bond orientations. These effects contribute up to 0.5 eV.

  19. Variational Calculations of Ro-Vibrational Energy Levels and Transition Intensities for Tetratomic Molecules

    NASA Technical Reports Server (NTRS)

    Schwenke, David W.; Langhoff, Stephen R. (Technical Monitor)

    1995-01-01

    A description is given of an algorithm for computing ro-vibrational energy levels for tetratomic molecules. The expressions required for evaluating transition intensities are also given. The variational principle is used to determine the energy levels and the kinetic energy operator is simple and evaluated exactly. The computational procedure is split up into the determination of one dimensional radial basis functions, the computation of a contracted rotational-bending basis, followed by a final variational step coupling all degrees of freedom. An angular basis is proposed whereby the rotational-bending contraction takes place in three steps. Angular matrix elements of the potential are evaluated by expansion in terms of a suitable basis and the angular integrals are given in a factorized form which simplifies their evaluation. The basis functions in the final variational step have the full permutation symmetries of the identical particles. Sample results are given for HCCH and BH3.

  20. Determination of the ionization energy of vanadium levels in zinc selenide

    SciTech Connect

    Makhniy, V. P.; Kinzerskaya, O. V.

    2012-02-15

    By comparing the experimental spectra of optical absorption and photoconductivity with those calculated using the Lucovsky formulas, it is established that the V impurity in ZnSe forms acceptor levels with the ionization energy 0.62 eV.

  1. Entropy-Energy Inequality for a Qutrit on the Example of a Three-Level Atom

    NASA Astrophysics Data System (ADS)

    Man'ko, V. I.; Markovich, L. A.

    2017-03-01

    We consider the entropy-energy inequality for a three-level atom implemented on superconducting circuits with the Josephson junction. It is suggested to use the positivity of the relative entropy of the qutritquantum system for verification of tomography of quantum states of qudits. The relations obtained are considered in detail on the example of the temperature density matrix.

  2. Energy Related Technology Programs at the Non-Baccalaureate Postsecondary Level.

    ERIC Educational Resources Information Center

    Brooking, Walter J.

    Guidelines are presented for institution administrators considering the initiation of programs to train energy-related technicians at the associate degree level. Two essential preliminary steps are outlined: Acquiring and analyzing all available information about the proposed field including national legislation and surveying the probable need for…

  3. Peculiarities of collisional excitation transfer with excited screened energy levels of atoms

    SciTech Connect

    Gerasimov, V. A.; Gerasimov, V. V.; Pavlinskiy, A. V.

    2007-09-15

    We report an experimental discovery of deviations from the known regularities in collisional excitation transfer processes for metal atoms. The collisional excitation transfer with excited screened energy levels of thulium and dysprosium atoms is studied. The selecting role of the screening 6s shell in collisional excitation transfer is shown.

  4. Energy Related Technology Programs at the Non-Baccalaureate Postsecondary Level.

    ERIC Educational Resources Information Center

    Brooking, Walter J.

    Guidelines are presented for institution administrators considering the initiation of programs to train energy-related technicians at the associate degree level. Two essential preliminary steps are outlined: Acquiring and analyzing all available information about the proposed field including national legislation and surveying the probable need for…

  5. Changes in gut hormone levels and negative energy balance during aerobic exercise in obese young males.

    PubMed

    Ueda, Shin-ya; Yoshikawa, Takahiro; Katsura, Yoshihiro; Usui, Tatsuya; Nakao, Hayato; Fujimoto, Shigeo

    2009-04-01

    We examined whether changes in gut hormone levels due to a single bout of aerobic exercise differ between obese young males and normal controls, and attempted to determine the involvement of hormonal changes during exercise in the regulation of energy balance (EB) in these obese subjects. Seven obese and seven age-matched subjects of normal weight participated in exercise and rest sessions. Subjects consumed a standardized breakfast that was followed by constant cycling exercise at 50% VO(2max) or rest for 60 min. At lunch, a test meal was presented, and energy intake (EI) and relative energy intake (REI) were calculated. Blood samples were obtained at 30 min intervals during both sessions for measurement of glucose, insulin, glucagon, ghrelin, peptide YY (PYY), and glucagon-like peptide-1 (GLP-1). Plasma levels of PYY and GLP-1 were increased by exercise, whereas plasma ghrelin levels were unaffected by exercise. The areas under the curve (AUC) of the time courses of PYY and GLP-1 levels did not significantly differ between the two groups. In contrast, EI and REI were decreased by exercise in both groups, and energy deficit was significantly larger in obese subjects than in normal controls. The present findings suggest that short-term EB during a single exercise session might be regulated not by increased amounts of these gut hormones per se.

  6. Prospective Physics Teachers' Level of Understanding Energy, Power and Force Concepts

    ERIC Educational Resources Information Center

    Saglam-Arslan, Aysegul; Kurnaz, Mehmet Altan

    2009-01-01

    The aim of this study is to determine prospective physics teachers' level of understanding of the concepts of energy and the related concepts of force and power. The study was carried out with the participation of 56 physics education department students at a university in Karadeniz region. All participants had previously taken an introductory…

  7. Improved Experimental and Theoretical Energy Levels of Carbon I from Solar Infrared Spectra

    NASA Technical Reports Server (NTRS)

    Chang, Edward S.; Geller, Murray

    1997-01-01

    We have improved the energy levels in neutral carbon using high resolution infrared solar spectra. The main source is the ATMOS spectrum measured by the Fourier transaform spectroscopy technique from 600 to 4800 cm-1, supplemented by the MARK IV balloon data, covering from 4700 to 5700 cm-1.

  8. Energy Levels in Helium and Neon Atoms by an Electron-Impact Method.

    ERIC Educational Resources Information Center

    Taylor, N.; And Others

    1981-01-01

    Electronic energy levels in noble gas atoms may be determined with a simple teaching apparatus incorporating a resonance potentials tube in which the electron beam intensity is held constant. The resulting spectra are little inferior to those obtained by more elaborate electron-impact methods and complement optical emission spectra. (Author/SK)

  9. Prospective Physics Teachers' Level of Understanding Energy, Power and Force Concepts

    ERIC Educational Resources Information Center

    Saglam-Arslan, Aysegul; Kurnaz, Mehmet Altan

    2009-01-01

    The aim of this study is to determine prospective physics teachers' level of understanding of the concepts of energy and the related concepts of force and power. The study was carried out with the participation of 56 physics education department students at a university in Karadeniz region. All participants had previously taken an introductory…

  10. Synthesis of silicon carbide nanopowders in free flowing plasma jet with different energy levels

    NASA Astrophysics Data System (ADS)

    Nikitin, D.; Sivkov, A.; Rahmatullin, I.; Ivashutenko, A.

    2017-05-01

    Silicon carbide (SiC) nanopowders were produced by the synthesis in an electrodischarge plasma jet generated by a high-current pulsed coaxial magnetoplasma accelerator. The present work focuses on the experiments where the obtained hypersonic plasma jet flew into space of the reactor chamber without impact on a target. The energy level of experiments was changed from ∼10.0 to ∼30.0 kJ. Four experiments were carried out at different energy levels. The powder products synthesized by the plasmadynamic method were studied by such well-known methods: X-ray diffraction (XRD), transmission electron microscopy (TEM). All the powders mainly contain cubic silicon carbide (β-SiC) particles with clear crystal structures and triangular shapes. SiC content reaches its maximum value 95% at the energy level 21.0 kJ, then SiC content is decreased to 70% the energy level 27.8 kJ. The powder crystallites in different experiments have approximately the same average crystallite size because quasistationary time, which allows growing powder crystallites, is absent.

  11. Exploring Learners' Conceptual Resources: Singapore a Level Students' Explanations in the Topic of Ionisation Energy

    ERIC Educational Resources Information Center

    Taber, Keith S.; Tan, Kim Chwee Daniel

    2007-01-01

    This paper describes findings from a study to explore Singapore A-level (Grades 11 and 12, 16-19 yr old) students' understanding of ionisation energy, an abstract and complex topic that is featured in school chemistry courses. Previous research had reported that students in the United Kingdom commonly use alternative notions based on the perceived…

  12. Energy Levels in Helium and Neon Atoms by an Electron-Impact Method.

    ERIC Educational Resources Information Center

    Taylor, N.; And Others

    1981-01-01

    Electronic energy levels in noble gas atoms may be determined with a simple teaching apparatus incorporating a resonance potentials tube in which the electron beam intensity is held constant. The resulting spectra are little inferior to those obtained by more elaborate electron-impact methods and complement optical emission spectra. (Author/SK)

  13. Energy levels, radiative rates and electron impact excitation rates for transitions in C III

    NASA Astrophysics Data System (ADS)

    Aggarwal, Kanti M.; Keenan, Francis P.

    2015-06-01

    We report energy levels, radiative rates (A-values) and lifetimes for the astrophysically important Be-like ion C III. For the calculations, 166 levels belonging to the n ≤ 5 configurations are considered and the GRASP (General-purpose Relativistic Atomic Structure Package) is adopted. Einstein A-coefficients are provided for all E1, E2, M1 and M2 transitions, while lifetimes are compared with available measurements as well as theoretical results, and no large discrepancies noted. Our energy levels are assessed to be accurate to better than 1 per cent for a majority of levels, and A-values to better than 20 per cent for most transitions. Collision strengths are also calculated, for which the Dirac Atomic R-matrix Code (DARC) is used. A wide energy range, up to 21 Ryd, is considered and resonances resolved in a fine energy mesh in the thresholds region. The collision strengths are subsequently averaged over a Maxwellian velocity distribution to determine effective collision strengths up to a temperature of 8.0 × 105 K, sufficient for most astrophysical applications. Our data are compared with the recent R-matrix calculations of Fernández-Menchero et al., and significant differences (up to over an order of magnitude) are noted for several transitions over the complete temperature range of the results.

  14. Fermi level pinning and the charge transfer contribution to the energy of adsorption at semiconducting surfaces

    SciTech Connect

    Krukowski, Stanisław; Kempisty, Paweł; Strak, Paweł; Sakowski, Konrad

    2014-01-28

    It is shown that charge transfer, the process analogous to formation of semiconductor p-n junction, contributes significantly to adsorption energy at semiconductor surfaces. For the processes without the charge transfer, such as molecular adsorption of closed shell systems, the adsorption energy is determined by the bonding only. In the case involving charge transfer, such as open shell systems like metal atoms or the dissociating molecules, the energy attains different value for the Fermi level differently pinned. The Density Functional Theory (DFT) simulation of species adsorption at different surfaces, such as SiC(0001) or GaN(0001) confirms these predictions: the molecular adsorption is independent on the coverage, while the dissociative process adsorption energy varies by several electronvolts.

  15. Energy levels of neutral and singly ionized berkelium, /sup 249/Bk I and II

    SciTech Connect

    Worden, E.F.; Conway, J.G.; Blaise, J.

    1987-09-01

    Energy-level analyses of the observed emission spectrum of berkelium have yielded 179 odd and 186 even levels of neutral berkelium Bk I, and 42 odd and 117 even levels of singly ionized berkelium Bk II. The levels are tabulated with the J value, the g value, the configuration and hyperfine constants A and B, and the width given for many of the levels. The ground states of Bk I and Bk II are (Rn)5f/sup 9/7s/sup 2/ /sup 6/H/sup 0//sub 15/2/ and (Rn)5f/sup 9/7s /sup 7/H/sup 0//sub 8/, respectively. A table lists the lowest level of each identified electronic configuration of Bk I and Bk II.

  16. Adenylate nucleotide levels and energy charge in Arthrobacter crystallopoietes during growth and starvation.

    PubMed

    Leps, W T; Ensign, J C

    1979-07-01

    The adenylate nucleotide concentrations, based on internal water space, were determined in cells of Arthrobacter crystallopoietes during growth and starvation and the energy charge of the cells was calculated. The energy charge of spherical cells rose during the first 10 h of growth, then remained nearly constant for as long as 20 h into the stationary phase. The energy charge of rod-shaped cells rose during the first 4 h of growth, then remained constant during subsequent growth and decreased in the stationary growth phase. Both spherical and rod-shaped cells excreted adenosine monophosphate but not adenosine triphosphate or adenosine diphosphate during starvation. The intracellular energy charge of spherical cells declined during the initial 10 h and then remained constant for 1 week of starvation at a value of 0.78. The intracellular energy charge of rod-shaped cells declined during the first 24 h of starvation, remained constant for the next 80 h, then decreased to a value of 0.73 after a total of 168 h starvation. Both cell forms remained more than 90% viable during this time. Addition of a carbon and energy source to starving cells resulted in an increase in the ATP concentration and as a result the energy charge increased to the smae levels as found during growth.

  17. Light, nutrients, and food-chain length constrain planktonic energy transfer efficiency across multiple trophic levels.

    PubMed

    Dickman, Elizabeth M; Newell, Jennifer M; González, María J; Vanni, Michael J

    2008-11-25

    The efficiency of energy transfer through food chains [food chain efficiency (FCE)] is an important ecosystem function. It has been hypothesized that FCE across multiple trophic levels is constrained by the efficiency at which herbivores use plant energy, which depends on plant nutritional quality. Furthermore, the number of trophic levels may also constrain FCE, because herbivores are less efficient in using plant production when they are constrained by carnivores. These hypotheses have not been tested experimentally in food chains with 3 or more trophic levels. In a field experiment manipulating light, nutrients, and food-chain length, we show that FCE is constrained by algal food quality and food-chain length. FCE across 3 trophic levels (phytoplankton to carnivorous fish) was highest under low light and high nutrients, where algal quality was best as indicated by taxonomic composition and nutrient stoichiometry. In 3-level systems, FCE was constrained by the efficiency at which both herbivores and carnivores converted food into production; a strong nutrient effect on carnivore efficiency suggests a carryover effect of algal quality across 3 trophic levels. Energy transfer efficiency from algae to herbivores was also higher in 2-level systems (without carnivores) than in 3-level systems. Our results support the hypothesis that FCE is strongly constrained by light, nutrients, and food-chain length and suggest that carryover effects across multiple trophic levels are important. Because many environmental perturbations affect light, nutrients, and food-chain length, and many ecological services are mediated by FCE, it will be important to apply these findings to various ecosystem types.

  18. Energies and Electric Dipole Transitions for Low-Lying Levels of Protactinium IV and Uranium V

    NASA Astrophysics Data System (ADS)

    Ürer, Güldem; Özdemir, Leyla

    2012-02-01

    We have reported a relativistic multiconfiguration Dirac-Fock (MCDF) study on low-lying level structures of protactinium IV (Z =91) and uranium V (Z =92) ions. Excitation energies and electric dipole (E1) transition parameters (wavelengths, oscillator strengths, and transition rates) for these low-lying levels have been given. We have also investigated the influence of the transverse Breit and quantum electrodynamic (QED) contributions besides correlation effects on the level structure. A comparison has been made with a few available data for these ions in the literature.

  19. Effects of Dietary Energy Levels on the Physiological Parameters and Reproductive Performance of Gestating Gilts

    PubMed Central

    Jin, S. S.; Jung, S. W.; Jang, J. C.; Chung, W. L.; Jeong, J. H.; Kim, Y. Y.

    2016-01-01

    This experiment was conducted to investigate the effects of dietary energy levels on the physiological parameters and reproductive performance of gestating first parity sows. A total of 52 F1 gilts (Yorkshire×Landrace) were allocated to 4 dietary treatments using a completely randomized design. Each treatment contained diets with 3,100, 3,200, 3,300, or 3,400 kcal of metabolizable energy (ME)/kg, and the daily energy intake of the gestating gilts in each treatment were 6,200, 6,400, 6,600, and 6,800 kcal of ME, respectively. During gestation, the body weight (p = 0.04) and weight gain (p = 0.01) of gilts linearly increased with increasing dietary energy levels. Backfat thickness was not affected at d110 of gestation by dietary treatments, but increased linearly (p = 0.05) from breeding to d 110 of gestation. There were no significant differences on the litter size or litter birth weight. During lactation, the voluntary feed intake of sows tended to decrease when the dietary energy levels increased (p = 0.08). No difference was observed in backfat thickness of the sows within treatments; increasing energy levels linearly decreased the body weight of sows (p<0.05) at d 21 of lactation and body weight gain during lactation (p<0.01). No significant differences were observed in the chemical compositions of colostrum and milk. Therefore, these results indicated that high-energy diets influenced the bodyweight and backfat thickness of sows during gestation and lactation. NRC (2012) suggested that the energy requirement of the gestation gilt should be between 6,678 and 7,932 kcal of ME/d. Similarly, our results suggested that 3,100 kcal of ME/kg is not enough to maintain the reproductive performance for gilts during gestation with 2 kg feed daily. Gilts in the treatment 3,400 kcal of ME/kg have a higher weaning number of piglets, but bodyweight and backfat loss were higher than other treatments during lactation. But bodyweight and backfat loss were higher than other

  20. A system for measuring thermal activation energy levels in silicon by thermally stimulated capacitance

    NASA Technical Reports Server (NTRS)

    Cockrum, R. H.

    1982-01-01

    One method being used to determine energy level(s) and electrical activity of impurities in silicon is described. The method is called capacitance transient spectroscopy (CTS). It can be classified into three basic categories: the thermally stimulated capacitance method, the voltage-stimulated capacitance method, and the light-stimulated capacitance method; the first two categories are discussed. From the total change in capacitance and the time constant of the capacitance response, emission rates, energy levels, and trap concentrations can be determined. A major advantage of using CTS is its ability to detect the presence of electrically active impurities that are invisible to other techniques, such as Zeeman effect atomic absorption, and the ability to detect more than one electrically active impurity in a sample. Examples of detection of majority and minority carrier traps from gold donor and acceptor centers in silicon using the capacitance transient spectrometer are given to illustrate the method and its sensitivity.

  1. Energy levels and radiative rates for Cr-like Cu VI and Zn VII

    NASA Astrophysics Data System (ADS)

    Aggarwal, K. M.; Bogdanovich, P.; Keenan, F. P.; Kisielius, R.

    2016-09-01

    Energy levels and radiative rates (A-values) for transitions in Cr-like Cu VI and Zn VII are reported. These data are determined in the quasi-relativistic approach (QR), by employing a very large configuration interaction (CI) expansion which is highly important for these ions. No radiative rates are available in the literature to compare with our results, but our calculated energies are in close agreement with those compiled by NIST and other available theoretical data, for a majority of the levels. The A-values (and resultant lifetimes) are listed for all significantly contributing E1, E2 and M1 radiative transitions among the energetically lowest 322 levels of each ion.

  2. Delayed dopamine signaling of energy level builds appetitive long-term memory in Drosophila.

    PubMed

    Musso, Pierre-Yves; Tchenio, Paul; Preat, Thomas

    2015-02-24

    Sensory cues relevant to a food source, such as odors, can be associated with post-ingestion signals related either to food energetic value or toxicity. Despite numerous behavioral studies, a global understanding of the mechanisms underlying these long delay associations remains out of reach. Here, we demonstrate in Drosophila that the long-term association between an odor and a nutritious sugar depends on delayed post-ingestion signaling of energy level. We show at the neural circuit level that the activity of two pairs of dopaminergic neurons is necessary and sufficient to signal energy level to the olfactory memory center. Accordingly, we have identified in these dopaminergic neurons a delayed calcium trace that correlates with appetitive long-term memory formation. Altogether, these findings demonstrate that the Drosophila brain remembers food quality through a two-step mechanism that consists of the integration of olfactory and gustatory sensory information and then post-ingestion energetic value.

  3. Magnetic field dependence of energy levels in biased bilayer graphene quantum dots

    NASA Astrophysics Data System (ADS)

    da Costa, D. R.; Zarenia, M.; Chaves, Andrey; Farias, G. A.; Peeters, F. M.

    2016-02-01

    Using the tight-binding approach, we study the influence of a perpendicular magnetic field on the energy levels of hexagonal, triangular, and circular bilayer graphene (BLG) quantum dots (QDs) with zigzag and armchair edges. We obtain the energy levels for AB (Bernal)-stacked BLG QDs in both the absence and the presence of a perpendicular electric field (i.e., biased BLG QDs). We find different regions in the spectrum of biased QDs with respect to the crossing point between the lowest-electron and -hole Landau levels of a biased BLG sheet. Those different regions correspond to electron states that are localized at the center, edge, or corner of the BLG QD. Quantum Hall corner states are found to be absent in circular BLG QDs. The spatial symmetry of the carrier density distribution is related to the symmetry of the confinement potential, the position of zigzag edges, and the presence or absence of interlayer inversion symmetry.

  4. Cascade splitting of two atomic energy levels due to multiphoton absorption

    NASA Astrophysics Data System (ADS)

    Ruan, Ya-Ping; Jia, Feng-Dong; Sun, Zhen; Lv, Shuang-Fei; Qing, Bo; Huang, Wei; Xue, Ping; Xu, Xiang-Yuan; Dai, Xing-Can; Zhong, Zhi-Ping

    2014-09-01

    We have theoretically and experimentally studied the spectroscopic properties of dressed levels in a strong monochromatic field, and propose a model of cascade splitting of two atomic energy levels. In this model two related dressed levels can be split into four levels, and transitions connecting four new levels will constitute spectroscopic structures. Two types of proof-in-principle experiments are performed to verify the model. One experiment measures the probe absorption spectra of a degenerate two-level atomic system with two strong monochromatic coupling fields. The system consists of 52S1/2,F=2 and 52P3/2,F'=3 states of Rb87 atoms in a magneto-optical trap (MOT) as well as the cooling beams and an additional coupling field. New spectral features are observed and proven to be due to the transitions of new levels generated by splitting of the dressed levels. The other experiment measures the pump-probe spectra in a degenerate two-level atomic system with one strong monochromatic coupling field. The system consists of 52S1/2,F=2 and 52P3/2,F'=3 states of the Rb87 atom in a magneto-optical trap and one coupling field. We have observed spectral features that obviously differ from the prediction that comes from the two-level dressed-atom approach. They cannot be explained by existing theories. The model of cascade splitting of two atomic energy levels is employed to explain the observations in these two types of experiments.

  5. Energy levels and transition rates for helium-like ions with Z = 10-36

    NASA Astrophysics Data System (ADS)

    Si, R.; Guo, X. L.; Wang, K.; Li, S.; Yan, J.; Chen, C. Y.; Brage, T.; Zou, Y. M.

    2016-08-01

    Aims: Helium-like ions provide an important X-ray spectral diagnostics in astrophysical and high-temperature fusion plasmas. An interpretation of the observed spectra provides information on temperature, density, and chemical compositions of the plasma. Such an analysis requires information for a wide range of atomic parameters, including energy levels and transition rates. Our aim is to provide a set of accurate energy levels and transition rates for helium-like ions with Z = 10-36. Methods: The second-order many-body perturbation theory (MBPT) was adopted in this paper. To support our MBPT results, we performed an independent calculation using the multiconfiguration Dirac-Hartree-Fock (MCDHF) method. Results: We provide accurate energies for the lowest singly excited 70 levels among 1snl(n ≤ 6,l ≤ (n-1)) configurations and the lowest doubly excited 250 levels arising from the K-vacancy 2ln'l'(n' ≤ 6,l' ≤ (n'-1)) configurations of helium-like ions with Z = 10-36. Wavelengths, transition rates, oscillator strengths, and line strengths are calculated for the E1, M1, E2, and M2 transitions among these levels. The radiative lifetimes are reported for all the calculated levels. Conclusions: Our MBPT results for singly excited n ≤ 2 levels show excellent agreement with other elaborate calculations, while those for singly excited n ≥ 3 and doubly excited levels show significant improvements over previous theoretical results. Our results will be very helpful for astrophysical line identification and plasma diagnostics. Full Tables 1 and 2 are only available at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/592/A141

  6. A spectral-Lagrangian Boltzmann solver for a multi-energy level gas

    SciTech Connect

    Munafò, Alessandro; Haack, Jeffrey R.; Gamba, Irene M.; Magin, Thierry E.

    2014-05-01

    In this paper a spectral-Lagrangian method is proposed for the full, non-linear Boltzmann equation for a multi-energy level gas typical of a hypersonic re-entry flow. Internal energy levels are treated as separate species and inelastic collisions (leading to internal energy excitation and relaxation) are accounted for. The formulation developed can also be used for the case of a gas mixture made of monatomic gases without internal energy (where only elastic collisions occur). The advantage of the spectral-Lagrangian method lies in the generality of the algorithm in use for the evaluation of the elastic and inelastic collision operators, as well as the conservation of mass, momentum and energy during collisions. The latter is realized through the solution of constrained optimization problems. The computational procedure is based on the Fourier transform of the partial elastic and inelastic collision operators and exploits the fact that these can be written as weighted convolutions in Fourier space with no restriction on the cross-section model. The feasibility of the proposed approach is demonstrated through numerical examples for both space homogeneous and in-homogeneous problems. Computational results are compared with those obtained by means of the DSMC method in order to assess the accuracy of the proposed spectral-Lagrangian method.

  7. The excitation of electronic transverse energy levels in an intense magnetic field

    NASA Technical Reports Server (NTRS)

    Bussard, R. W.

    1978-01-01

    Observations of the X-ray pulsar Hercules X-1 show a line emission feature at about 60 keV, which has been interpreted as the fundamental electron cyclotron line in a magnetic field of around six trillion gauss. In this interpretation, the line radiation results from transitions between transverse energy levels, which are quantized by the field. The expected line luminosity from the excitation of these levels by protons which are falling into the polar cap of a neutron star are calculated. They are assumed to attain kinetic energies up to around 200 MeV, the gravitational potential energy at the surface. The cross sections for high energy Coulomb encounters between small pitch angle protons and electrons in a strong field are measured and used to calculate the energy loss rate of the infalling protons. This rate, together with the rate of elastic nuclear proton collisions, is then used to calculate the number of line photons an infalling proton can be expected to produce, directly or indirectly. The results are applied to Hercules X-1.

  8. The excitation of electronic transverse energy levels in an intense magnetic field

    NASA Technical Reports Server (NTRS)

    Bussard, R. W.

    1978-01-01

    Observations of the X-ray pulsar Hercules X-1 show a line emission feature at about 60 keV, which has been interpreted as the fundamental electron cyclotron line in a magnetic field of around six trillion gauss. In this interpretation, the line radiation results from transitions between transverse energy levels, which are quantized by the field. The expected line luminosity from the excitation of these levels by protons which are falling into the polar cap of a neutron star are calculated. They are assumed to attain kinetic energies up to around 200 MeV, the gravitational potential energy at the surface. The cross sections for high energy Coulomb encounters between small pitch angle protons and electrons in a strong field are measured and used to calculate the energy loss rate of the infalling protons. This rate, together with the rate of elastic nuclear proton collisions, is then used to calculate the number of line photons an infalling proton can be expected to produce, directly or indirectly. The results are applied to Hercules X-1.

  9. Resonant nature of intrinsic defect energy levels in PbTe revealed by infrared photoreflectance spectroscopy

    NASA Astrophysics Data System (ADS)

    Zhang, Bingpo; Cai, Chunfeng; Jin, Shuqiang; Ye, Zhenyu; Wu, Huizhen; Qi, Zhen

    2014-07-01

    Step-scan Fourier-transform infrared photoreflectance and modulated photoluminescence spectroscopy were used to characterize the optical transitions of the epitaxial PbTe thin film grown by molecular beam epitaxy on BaF2 (111) substrate in the vicinity of energy gap of lead telluride at 77 K. It is found that the intrinsic defect energy levels in the electronic structure are of resonant nature. The Te-vacancy energy level is located above the conduction band minimum by 29.1 meV. Another defect (VX) energy level situated below valance band maximum by 18.1 meV is also revealed. Whether it is associated with the Pb vacancy is still not clear. It might also be related to the misfit dislocations stemming from the lattice mismatch between PbTe and BaF2 substrate. The experimental results support the theory prediction (N. J. Parada and G. W. Pratt, Jr., Phys. Rev. Lett. 22, 180 (1969), N. J. Parada, Phys. Rev. B 3, 2042 (1971)) and are consistent with the reported Hall experimental results (G. Bauer, H. Burkhard, H. Heinrich, and A. Lopez-Otero, J. Appl. Phys. 47, 1721 (1976)).

  10. Energy levels distribution in supersaturated silicon with titanium for photovoltaic applications

    SciTech Connect

    Pérez, E. Castán, H.; García, H.; Dueñas, S.; Bailón, L.; Montero, D.; García-Hernansanz, R.; García-Hemme, E.; González-Díaz, G.; Olea, J.

    2015-01-12

    In the attempt to form an intermediate band in the bandgap of silicon substrates to give it the capability to absorb infrared radiation, we studied the deep levels in supersaturated silicon with titanium. The technique used to characterize the energy levels was the thermal admittance spectroscopy. Our experimental results showed that in samples with titanium concentration just under Mott limit there was a relationship among the activation energy value and the capture cross section value. This relationship obeys to the well known Meyer-Neldel rule, which typically appears in processes involving multiple excitations, like carrier capture/emission in deep levels, and it is generally observed in disordered systems. The obtained characteristic Meyer-Neldel parameters were Tmn = 176 K and kTmn = 15 meV. The energy value could be associated to the typical energy of the phonons in the substrate. The almost perfect adjust of all experimental data to the same straight line provides further evidence of the validity of the Meyer Neldel rule, and may contribute to obtain a deeper insight on the ultimate meaning of this phenomenon.

  11. Modeling plant-level industrial energy demand with the Manufacturing Energy Consumption Survey (MECS) database and the Longitudinal Research Database (LRD)

    SciTech Connect

    Boyd, G.A.; Neifer, M.J.; Ross, M.H.

    1992-08-01

    This report discusses Phase 1 of a project to help the US Department of Energy determine the applicability of the Manufacturing Energy Consumption Survey (MECS) database and the Longitudinal Research Database (LRD) for industrial modeling and analysis. Research was conducted at the US Bureau of the Census; disclosure of the MECS/LRD data used as a basis for this report was subject to the Bureau`s confidentiality restriction. The project is designed to examine the plant-level energy behavior of energy-intensive industries. In Phase 1, six industries at the four-digit standard industrial classification (SIC) level were studied. The utility of analyzing four-digit SIC samples at the plant level is mixed, but the plant-level structure of the MECS/LRD makes analyzing samples disaggregated below the four-digit level feasible, particularly when the MECS/LRD data are combined with trade association or other external data. When external data are used, the validity of using value of shipments as a measure of output for analyzing energy use can also be examined. Phase 1 results indicate that technical efficiency and the distribution of energy intensities vary significantly at the plant level. They also show that the six industries exhibit monopsony-like behavior; that is, energy prices vary significantly at the plant level, with lower prices being correlated with a higher level of energy consumption. Finally, they show to what degree selected energy-intensive products are manufactured outside their primary industry.

  12. Multi-Level Experimental and Analytical Evaluation of Two Composite Energy Absorbers

    NASA Technical Reports Server (NTRS)

    Jackson, Karen E.; Littell, Justin D.; Fasanella, Edwin L.; Annett, Martin S.; Seal, Michael D., II

    2015-01-01

    Two composite energy absorbers were developed and evaluated at NASA Langley Research Center through multi-level testing and simulation performed under the Transport Rotorcraft Airframe Crash Testbed (TRACT) research program. A conical-shaped energy absorber, designated the conusoid, was evaluated that consisted of four layers of hybrid carbon-Kevlar plain weave fabric oriented at [+45 deg/-45 deg/-45 deg/+45 deg] with respect to the vertical, or crush, direction. A sinusoidal-shaped energy absorber, designated the sinusoid, was developed that consisted of hybrid carbon-Kevlar plain weave fabric face sheets, two layers for each face sheet oriented at +/-45deg with respect to the vertical direction and a closed-cell ELFOAM P200 polyisocyanurate (2.0-lb/cu ft) foam core. The design goal for the energy absorbers was to achieve average floor-level accelerations of between 25- and 40-g during the full-scale crash test of a retrofitted CH-46E helicopter airframe, designated TRACT 2. Variations in both designs were assessed through dynamic crush testing of component specimens. Once the designs were finalized, subfloor beams of each configuration were fabricated and retrofitted into a barrel section of a CH-46E helicopter. A vertical drop test of the barrel section was conducted onto concrete to evaluate the performance of the energy absorbers prior to retrofit into TRACT 2. The retrofitted airframe was crash tested under combined forward and vertical velocity conditions onto soil, which is characterized as a sand/clay mixture. Finite element models were developed of all test articles and simulations were performed using LS-DYNA, a commercial nonlinear explicit transient dynamic finite element code. Test-analysis results are presented for each energy absorber as comparisons of time-history responses, as well as predicted and experimental structural deformations and progressive damage under impact loading for each evaluation level.

  13. Comparison of dietary energy and macronutrient intake at different levels of glucose metabolism.

    PubMed

    Yan, Li-Jun; Jiang, Sheng; Sun, Shi-An; Xie, Zi-Jing

    2015-01-01

    The aim of this study was to evaluate energy and glycolipid metabolism by determining the intake of energy and macronutrients in persons with differing glucose metabolisms. In total, 147 patients who were newly diagnosed with pre-diabetes, 177 patients with diabetes, 139 patients who were previously diagnosed with diabetes, and 140 patients with normal blood sugar were selected from the 103rd Regiment of Xinjiang. All patients had Han nationality and were over 30 years old. Their energy and macronutrient intakes were analyzed from data obtained from a 3-day food weighing household investigation. Compared to the normal group, the patients in the previously and newly diagnosed diabetic groups were older, less educated, and had a greater prevalence of hypertension (P<0.05). Compared to the normal group, patients with abnormal glucose metabolism had larger waist circumferences; higher systolic and diastolic blood pressure; higher postprandial glucose; higher total cholesterol; lower high-density lipoprotein cholesterol (HDL-C; P<0.05); higher intakes of energy, carbohydrates, and fat; and lower intakes of protein and fiber. In addition, the newly and previously diagnosed patients had higher fasting glucose levels (P<0.05). Compared to the normal group, patients with abnormal glucose metabolism in each sex subgroup also had larger waist circumferences, and more men had abdominal obesity (P<0.05). Diabetes or pre-diabetes patients had a higher intake of energy, carbohydrates, and fat, but a lower intake of proteins and fiber. They had severe abdominal obesity, a greater prevalence of hypertension, higher total cholesterol levels, lower HDL-C, and poor blood glucose and glycosylated hemoglobin levels, especially postprandial plasma glucose levels.

  14. Microwave energy for post-calcination treatment of high-level nuclear wastes

    SciTech Connect

    Gombert, D.; Priebe, S.J.; Berreth, J.R.

    1980-01-01

    High-level radioactive wastes generated from nuclear fuel reprocessing require treatment for effective long-term storage. Heating by microwave energy is explored in processing of two possible waste forms: (1) drying of a pelleted form of calcined waste; and (2) vitrification of calcined waste. It is shown that residence times for these processes can be greatly reduced when using microwave energy rather than conventional heating sources, without affecting product properties. Compounds in the waste and in the glass frit additives couple very well with the 2.45 GHz microwave field so that no special microwave absorbers are necessary.

  15. Wavelengths, Transition Probabilities, and Energy Levels for the Spectrum of Neutral Strontium (Sr I)

    NASA Astrophysics Data System (ADS)

    Sansonetti, J. E.; Nave, G.

    2010-09-01

    Following a critical review of spectroscopic data for neutral strontium (Z=38), the energy levels, with designations and uncertainties, have been tabulated. Wavelengths with classifications, intensities, and transition probabilities have also been reviewed. In addition, the 5s S1/22, 4d D3/22, and 4d D5/22 ionization energies have been listed. A summary of the current state of measurements of the SrI 5s2 S01-5s5p P0∘3, F =9/2 atomic clock transition, and other isotopic observations has also been included.

  16. Potential energy functions for atomic-level simulations of water and organic and biomolecular systems.

    PubMed

    Jorgensen, William L; Tirado-Rives, Julian

    2005-05-10

    An overview is provided on the development and status of potential energy functions that are used in atomic-level statistical mechanics and molecular dynamics simulations of water and of organic and biomolecular systems. Some topics that are considered are the form of force fields, their parameterization and performance, simulations of organic liquids, computation of free energies of hydration, universal extension for organic molecules, and choice of atomic charges. The discussion of water models covers some history, performance issues, and special topics such as nuclear quantum effects.

  17. Energy-level statistics in the fine conformational resolution of RNA folding dynamics

    NASA Astrophysics Data System (ADS)

    Fernández, Ariel; Burastero, Teresita; Salthú, Rodolfo; Tablar, Ana

    1999-11-01

    This work is aimed at determining the energy-level statistics of the fine resolution of soft-mode dynamics warranting an adiabatically simplified structural relaxation of a folding biopolymer chain. The parameters defining the intrabasin structure relaxation are specified for RNA, so that each Watson-Crick base-pairing pattern may be treated as a quasiequilibrium ensemble of substates or torsional isomers within relevant folding time scales. The temperature-dependent threshold for energy dispersion associated with the fine structure of each superbasin is determined so as to warrant the adiabatic entrainment of the torsional dynamics.

  18. Tunneling splitting of energy levels and rotational constants in the vinyl radical C2H3.

    PubMed

    Mil'nikov, Gennady V; Ishida, Toshimasa; Nakamura, Hiroki

    2006-04-27

    The instanton theory newly implemented by two of the authors (G.V.M. and H.N.) is applied to hydrogen tunneling transfer in a vinyl radical. The converged instanton trajectory is found on the CCSD(T)/aug-cc-pVTZ level of an ab initio potential energy surface. The calculated ground-state energy splitting agrees with the recent high-resolution experimental data within 3% of discrepancy. The semiclassical wave function is used to estimate the splitting of the principal rotational constants of the radical.

  19. Energy Level Alignment at Metal/Solution-Processed Organic Semiconductor Interfaces.

    PubMed

    Atxabal, Ainhoa; Braun, Slawomir; Arnold, Thorsten; Sun, Xiangnan; Parui, Subir; Liu, Xianjie; Gozalvez, Cristian; Llopis, Roger; Mateo-Alonso, Aurelio; Casanova, Felix; Ortmann, Frank; Fahlman, Mats; Hueso, Luis E

    2017-03-15

    Energy barriers between the metal Fermi energy and the molecular levels of organic semiconductor devoted to charge transport play a fundamental role in the performance of organic electronic devices. Typically, techniques such as electron photoemission spectroscopy, Kelvin probe measurements, and in-device hot-electron spectroscopy have been applied to study these interfacial energy barriers. However, so far there has not been any direct method available for the determination of energy barriers at metal interfaces with n-type polymeric semiconductors. This study measures and compares metal/solution-processed electron-transporting polymer interface energy barriers by in-device hot-electron spectroscopy and ultraviolet photoemission spectroscopy. It not only demonstrates in-device hot-electron spectroscopy as a direct and reliable technique for these studies but also brings it closer to technological applications by working ex situ under ambient conditions. Moreover, this study determines that the contamination layer coming from air exposure does not play any significant role on the energy barrier alignment for charge transport. The theoretical model developed for this work confirms all the experimental observations.

  20. Quantification of Water Energy Nexus for Sustainable Development at Local Level: Case Study of Tamil Nadu

    NASA Astrophysics Data System (ADS)

    Grover, S.; Tayal, S.

    2014-12-01

    Interdependency between water and energy is generally transacted in trade-off mode; where either of the resource gets affected because of the other. Generally this trade-off is commonly known as water-energy nexus. Many studies have been undertaken in various parts of the world using various approaches to tease out the intricate nexus. This research has adopted a different approach to quantify the inter-dependency. The adopted approach made an attempt to tease out the nexus from demand side for both the resources. For water demand assessment PODIUM Sim model was used and for other parameters available secondary data was used. Using this approach percentage share of water for energy and energy for water was estimated. For an informed decision making and sustainable development, assessment was carried out at state level as most of the policies are made specifically for the state. The research was done for the southernmost state of India, Tamil Nadu which is a rapidly growing industrial hub. Tamil Nadu is energy and water intensive state and the analysis shows that the share of water demand from energy sector compared to water demand from other major sectors is miniscule. While, the energy demand in water sector for various processes in different sectors compared to energy demand as total has a comparable share of range 15-25%. This analysis indicated the relative risk sectors face in competition for the resource. It point outs that water sector faces fierce competition with other sectors for energy. Moreover, the results of the study has assessed that state has negative water balance, which may make access to water more energy intensive with time. But, a projection into future scenario with an assumption based on the ongoing policy program of improving irrigation efficiency was made. It provided a solution of a potential positive equilibrium which conserves both water and energy. This scenario gave promising results which indicated less of water demand from

  1. Seleno groups control the energy-level alignment between conjugated organic molecules and metals

    SciTech Connect

    Niederhausen, Jens; Heimel, Georg; Wilke, Andreas; Rabe, Jürgen P.; Duhm, Steffen; Bürker, Christoph; Schreiber, Frank; Xin, Qian; Vollmer, Antje; Kera, Satoshi; Ueno, Nobuo; Koch, Norbert

    2014-01-07

    The charge injection from metallic electrodes into hole transporting layers of organic devices often suffers from deviations from vacuum-level alignment at the interface. Even for weakly interacting cases, Pauli repulsion causes an interface dipole between the metal and conjugated organic molecules (COMs) (so called “push-back” or “cushion” effect), which leads notoriously to an increase of the hole injection barrier. On the other hand, for chalcogenol self assembled monolayers (SAMs) on metal surfaces, chemisorption via the formation of chalcogen-metal bonds is commonly observed. In these cases, the energy-level alignment is governed by chalcogen-derived interface states in the vicinity of the metal Fermi-level. In this work, we present X-ray and ultraviolet photoelectron spectroscopy data that demonstrate that the interfacial energy-level alignment mechanism found for chalcogenol SAMs also applies to seleno-functionalized COMs. This can be exploited to mitigate the push-back effect at metal contacts, notably also when COMs with low ionization energies are employed, permitting exceedingly low hole injection barriers, as shown here for the interfaces of tetraseleno-tetracene with Au(111), Ag(111), and Cu(111)

  2. Deep Ocean Contribution to Sea Level and Energy Budget Not Detectable over the Past Decade

    NASA Astrophysics Data System (ADS)

    Llovel, W.; Willis, J. K.; Landerer, F. W.; Fukumori, I.

    2014-12-01

    As the dominant reservoir of heat uptake in the climate system, the world's oceans provide a critical measure of global climate change. Here, we infer deep ocean warming in the context of global sea level rise and Earth's energy budget between January 2005 and December 2013 based on satellite altimetry, GRACE and Argo floats. Direct measurements of ocean warming above 2000m depth explain 0.9 +/- 0.15 mm/yr of the observed 2.78 +/- 0.32 mm/yr rate of global mean sea level rise. Over the entire water column, independent estimates of ocean warming yield a contribution of 0.77+/-0.28 mm/yr in sea level rise and agree with the upper ocean estimate to within the estimated uncertainties. Accounting for additional possible systematic uncertainties, the deep ocean (below 2000m) contributes -0.13 +/- 0.72 mm/yr to global sea level rise and -0.08 +/- 0.43 W/m2 to Earth's energy balance. The net warming of the ocean implies an energy imbalance for the Earth of 0.64 ± 0.44 W/m2 from 2005 to 2013.

  3. Deep-ocean contribution to sea level and energy budget not detectable over the past decade

    NASA Astrophysics Data System (ADS)

    Llovel, W.; Willis, J. K.; Landerer, F. W.; Fukumori, I.

    2014-11-01

    As the dominant reservoir of heat uptake in the climate system, the world's oceans provide a critical measure of global climate change. Here, we infer deep-ocean warming in the context of global sea-level rise and Earth's energy budget between January 2005 and December 2013. Direct measurements of ocean warming above 2,000 m depth explain about 32% of the observed annual rate of global mean sea-level rise. Over the entire water column, independent estimates of ocean warming yield a contribution of 0.77 +/- 0.28 mm yr-1 in sea-level rise and agree with the upper-ocean estimate to within the estimated uncertainties. Accounting for additional possible systematic uncertainties, the deep ocean (below 2,000 m) contributes -0.13 +/- 0.72 mm yr-1 to global sea-level rise and -0.08 +/- 0.43 W m-2 to Earth's energy balance. The net warming of the ocean implies an energy imbalance for the Earth of 0.64 +/- 0.44 W m-2 from 2005 to 2013.

  4. Reliable Energy Level Alignment at Physisorbed Molecule–Metal Interfaces from Density Functional Theory

    PubMed Central

    2015-01-01

    A key quantity for molecule–metal interfaces is the energy level alignment of molecular electronic states with the metallic Fermi level. We develop and apply an efficient theoretical method, based on density functional theory (DFT) that can yield quantitatively accurate energy level alignment information for physisorbed metal–molecule interfaces. The method builds on the “DFT+Σ” approach, grounded in many-body perturbation theory, which introduces an approximate electron self-energy that corrects the level alignment obtained from conventional DFT for missing exchange and correlation effects associated with the gas-phase molecule and substrate polarization. Here, we extend the DFT+Σ approach in two important ways: first, we employ optimally tuned range-separated hybrid functionals to compute the gas-phase term, rather than rely on GW or total energy differences as in prior work; second, we use a nonclassical DFT-determined image-charge plane of the metallic surface to compute the substrate polarization term, rather than the classical DFT-derived image plane used previously. We validate this new approach by a detailed comparison with experimental and theoretical reference data for several prototypical molecule–metal interfaces, where excellent agreement with experiment is achieved: benzene on graphite (0001), and 1,4-benzenediamine, Cu-phthalocyanine, and 3,4,9,10-perylene-tetracarboxylic-dianhydride on Au(111). In particular, we show that the method correctly captures level alignment trends across chemical systems and that it retains its accuracy even for molecules for which conventional DFT suffers from severe self-interaction errors. PMID:25741626

  5. Reliable Energy Level Alignment at Physisorbed Molecule–Metal Interfaces from Density Functional Theory

    DOE PAGES

    Egger, David A.; Liu, Zhen-Fei; Neaton, Jeffrey B.; ...

    2015-03-05

    We report a key quantity for molecule–metal interfaces is the energy level alignment of molecular electronic states with the metallic Fermi level. We develop and apply an efficient theoretical method, based on density functional theory (DFT) that can yield quantitatively accurate energy level alignment information for physisorbed metal–molecule interfaces. The method builds on the “DFT+Σ” approach, grounded in many-body perturbation theory, which introduces an approximate electron self-energy that corrects the level alignment obtained from conventional DFT for missing exchange and correlation effects associated with the gas-phase molecule and substrate polarization. Here, we extend the DFT+Σ approach in two important ways:more » first, we employ optimally tuned range-separated hybrid functionals to compute the gas-phase term, rather than rely on GW or total energy differences as in prior work; second, we use a nonclassical DFT-determined image-charge plane of the metallic surface to compute the substrate polarization term, rather than the classical DFT-derived image plane used previously. We validate this new approach by a detailed comparison with experimental and theoretical reference data for several prototypical molecule–metal interfaces, where excellent agreement with experiment is achieved: benzene on graphite (0001), and 1,4-benzenediamine, Cu-phthalocyanine, and 3,4,9,10-perylene-tetracarboxylic-dianhydride on Au(111). In particular, we show that the method correctly captures level alignment trends across chemical systems and that it retains its accuracy even for molecules for which conventional DFT suffers from severe self-interaction errors.« less

  6. Energy pumping analysis of skating motion in a half pipe and on a level surface

    NASA Astrophysics Data System (ADS)

    Feng, Z. C.; Xin, Ming

    2015-01-01

    In this paper, an energy pumping mechanism for locomotion is analysed. The pumping is accomplished by exerting forces perpendicular to the direction of motion. The paper attempts to demonstrate an interesting application of the classical mechanics to two sporting events: a person skating in a half pipe and a person travelling on a level surface on a skateboard. The equations of motion based on simplified mechanical models are derived using the Lagrange mechanics. The energy-pumping phenomenon is revealed through numerical simulations with simple pumping actions. The result presented in this paper can be used as an interesting class project in undergraduate mechanics or physics courses. It also motivates potential new applications of energy pumping in many engineering fields.

  7. Energy levels of Th+ between 7.3 and 8.3 eV

    NASA Astrophysics Data System (ADS)

    Herrera-Sancho, O. A.; Nemitz, N.; Okhapkin, M. V.; Peik, E.

    2013-07-01

    Using resonant two-step laser excitation of trapped 232Th+ ions, we observe 43 previously unknown energy levels within the energy range from 7.3 to 8.3 eV. The high density of states promises a strongly enhanced electronic bridge excitation of the 229mTh nuclear state that is expected in this energy range. From the observation of resonantly enhanced three-photon ionization of Th+, the second ionization potential of thorium can be inferred to lie within the range between 11.9 and 12.3 eV. Pulsed laser radiation in a wide wavelength range from 237 to 289 nm is found to provide efficient photodissociation of molecular ions that are formed in reactions of Th+ with impurities in the buffer gas, leading to a significantly increased storage time for Th+ in the ion trap.

  8. Organic semiconductor density of states controls the energy level alignment at electrode interfaces

    PubMed Central

    Oehzelt, Martin; Koch, Norbert; Heimel, Georg

    2014-01-01

    Minimizing charge carrier injection barriers and extraction losses at interfaces between organic semiconductors and metallic electrodes is critical for optimizing the performance of organic (opto-) electronic devices. Here, we implement a detailed electrostatic model, capable of reproducing the alignment between the electrode Fermi energy and the transport states in the organic semiconductor both qualitatively and quantitatively. Covering the full phenomenological range of interfacial energy level alignment regimes within a single, consistent framework and continuously connecting the limiting cases described by previously proposed models allows us to resolve conflicting views in the literature. Our results highlight the density of states in the organic semiconductor as a key factor. Its shape and, in particular, the energy distribution of electronic states tailing into the fundamental gap is found to determine both the minimum value of practically achievable injection barriers as well as their spatial profile, ranging from abrupt interface dipoles to extended band-bending regions. PMID:24938867

  9. Energy Performance Assessment of Radiant Cooling System through Modeling and Calibration at Component Level

    SciTech Connect

    Khan, Yasin; Mathur, Jyotirmay; Bhandari, Mahabir S

    2016-01-01

    The paper describes a case study of an information technology office building with a radiant cooling system and a conventional variable air volume (VAV) system installed side by side so that performancecan be compared. First, a 3D model of the building involving architecture, occupancy, and HVAC operation was developed in EnergyPlus, a simulation tool. Second, a different calibration methodology was applied to develop the base case for assessing the energy saving potential. This paper details the calibration of the whole building energy model to the component level, including lighting, equipment, and HVAC components such as chillers, pumps, cooling towers, fans, etc. Also a new methodology for the systematic selection of influence parameter has been developed for the calibration of a simulated model which requires large time for the execution. The error at the whole building level [measured in mean bias error (MBE)] is 0.2%, and the coefficient of variation of root mean square error (CvRMSE) is 3.2%. The total errors in HVAC at the hourly are MBE = 8.7% and CvRMSE = 23.9%, which meet the criteria of ASHRAE 14 (2002) for hourly calibration. Different suggestions have been pointed out to generalize the energy saving of radiant cooling system through the existing building system. So a base case model was developed by using the calibrated model for quantifying the energy saving potential of the radiant cooling system. It was found that a base case radiant cooling system integrated with DOAS can save 28% energy compared with the conventional VAV system.

  10. The program LOPT for least-squares optimization of energy levels

    NASA Astrophysics Data System (ADS)

    Kramida, A. E.

    2011-02-01

    The article describes a program that solves the least-squares optimization problem for finding the energy levels of a quantum-mechanical system based on a set of measured energy separations or wavelengths of transitions between those energy levels, as well as determining the Ritz wavelengths of transitions and their uncertainties. The energy levels are determined by solving the matrix equation of the problem, and the uncertainties of the Ritz wavenumbers are determined from the covariance matrix of the problem. Program summaryProgram title: LOPT Catalogue identifier: AEHM_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEHM_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.: 19 254 No. of bytes in distributed program, including test data, etc.: 427 839 Distribution format: tar.gz Programming language: Perl v.5 Computer: PC, Mac, Unix workstations Operating system: MS Windows (XP, Vista, 7), Mac OS X, Linux, Unix (AIX) RAM: 3 Mwords or more Word size: 32 or 64 Classification: 2.2 Nature of problem: The least-squares energy-level optimization problem, i.e., finding a set of energy level values that best fits the given set of transition intervals. Solution method: The solution of the least-squares problem is found by solving the corresponding linear matrix equation, where the matrix is constructed using a new method with variable substitution. Restrictions: A practical limitation on the size of the problem N is imposed by the execution time, which scales as N and depends on the computer. Unusual features: Properly rounds the resulting data and formats the output in a format suitable for viewing with spreadsheet editing software. Estimates numerical errors resulting from the limited machine precision. Running time: 1 s for N=100, or 60 s for N=400 on a typical PC.

  11. Energy Levels and Oscillator Strengths for Allowed Transitions in S III

    NASA Technical Reports Server (NTRS)

    Tayal, S. S.

    1995-01-01

    We have calculated energy levels and oscillator strengths for dipole-allowed transitions between the terms belonging to the 3s(sup 2)3p(sup 2), 3s3p(sup 3), 3S(sup 2)3p3d, 3S(sup 2)3p4s, 3S(sup 2)3p4p and 3s(sup 2)3p4d configurations of S iii in the LS-coupling scheme. We used flexible radial functions and included a large number of configurations in the configuration-interaction expansions to ensure convergence. The calculated energy levels are in close agreement with the recent laboratory measurement. The present oscillator strengths are compared with other calculations and experiments and most of the existing discrepancies between the available calculations are resolved.

  12. Continuous or discrete: Tuning the energy level alignment of organic layers with alkali dopants

    NASA Astrophysics Data System (ADS)

    Ules, Thomas; Lüftner, Daniel; Reinisch, Eva Maria; Koller, Georg; Puschnig, Peter; Ramsey, Michael G.

    2016-11-01

    This paper investigates the effects of cesium (Cs) deposited on pentacene (5A) and sexiphenyl (6P) monolayers on the Ag(110) substrate. The process of doping and the energy level alignment are studied quantitatively and contrasted. While ultimately for both molecules lowest unoccupied molecular orbital (LUMO) filling on charge transfer upon Cs dosing is observed, the doping processes are tellingly different. In the case of 5A, hybrid molecule-substrate states and doping states coexist at lowest Cs exposures, while for 6P doping states appear only after Cs has completely decoupled the monolayer from the substrate. With the support of density functional theory calculations, this different behavior is rationalized by the local character of electrostatic potential changes induced by dopants in relation to the spatial extent of the molecules. This also has severe effects on the energy level alignment, which for most dopant/molecule systems cannot be considered continuous but discrete.

  13. Global exploration of the energy landscape of solids on the ab initio level.

    PubMed

    Doll, K; Schön, J C; Jansen, M

    2007-12-14

    Predicting which crystalline modifications can be present in a chemical system requires the global exploration of its energy landscape. Due to the large computational effort involved, in the past this search for sufficiently stable minima has been performed employing a variety of empirical potentials and cost functions followed by a local optimization on the ab initio level. However, this entails the risk of overlooking important modifications that are not modeled accurately using empirical potentials. In order to overcome this critical limitation, we develop an approach to employ ab initio energy functions during the global optimization phase of the structure prediction. As an example, we perform a global exploration of the landscape of LiF on the ab initio level and show that the relevant crystalline modifications are found during the search.

  14. Metal impurities in crystallographic voids of beta-rhombohedral boron lattice: Binding energies and electron levels

    NASA Astrophysics Data System (ADS)

    Chkhartishvili, Levan; Murusidze, Ivane; Darchiashvili, Maguli; Tsagareishvili, Otar; Gabunia, Domenti

    2012-11-01

    Applying quasi-classical approach, the binding energies and electron levels of metal impurities (Li, Mg, Al, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zr, Nb, Hf, Ta, and Re) introduced into crystallographic voids of types A, D and E in the beta-rhombohedral boron lattice are calculated. Binding energies are estimated as ˜1 eV-60 eV per bond. The most of the obtained metal-boron bond lengths are very close to the mean radii of voids in the undoped crystal. Relatively light impurities (from Li to Cu) are found to form donor electron states directly inside the conduction band, i.e., they cause metallization of the material being introduced at sufficiently high concentrations. Heavy impurities (from Zr to Re) form shallow or deep donor levels inside the band gap or even valence band depending on dopants and voids of accommodation.

  15. Absolute Binding Energies of Core Levels in Solids from First Principles

    NASA Astrophysics Data System (ADS)

    Ozaki, Taisuke; Lee, Chi-Cheng

    2017-01-01

    A general method is presented to calculate absolute binding energies of core levels in metals and insulators, based on a penalty functional and an exact Coulomb cutoff method in the framework of density functional theory. The spurious interaction of core holes between supercells is avoided by the exact Coulomb cutoff method, while the variational penalty functional enables us to treat multiple splittings due to chemical shift, spin-orbit coupling, and exchange interaction on equal footing, both of which are not accessible by previous methods. It is demonstrated that the absolute binding energies of core levels for both metals and insulators are calculated by the proposed method in a mean absolute (relative) error of 0.4 eV (0.16%) for eight cases compared to experimental values measured with x-ray photoemission spectroscopy within a generalized gradient approximation to the exchange-correlation functional.

  16. Symmetry breaking in the zero-energy Landau level in bilayer graphene.

    PubMed

    Zhao, Y; Cadden-Zimansky, P; Jiang, Z; Kim, P

    2010-02-12

    The quantum Hall effect near the charge neutrality point in bilayer graphene is investigated in high magnetic fields of up to 35 T using electronic transport measurements. In the high-field regime, the eightfold degeneracy in the zero-energy Landau level is completely lifted, exhibiting new quantum Hall states corresponding to filling factors nu=0, 1, 2, and 3. Measurements of the activation energy gaps for the nu=2 and 3 filling factors in tilted magnetic fields exhibit no appreciable dependence on the in-plane magnetic field, suggesting that these Landau level splittings are independent of spin. In addition, measurements taken at the nu=0 charge neutral point show that, similar to single layer graphene, the bilayer becomes insulating at high fields.

  17. A Novel Ultrasonic Method for Liquid Level Measurement Based on the Balance of Echo Energy.

    PubMed

    Zhang, Bin; Wei, Yue-Juan; Liu, Wen-Yi; Zhang, Yan-Jun; Yao, Zong; Zhang, Liang; Xiong, Ji-Jun

    2017-03-28

    This study presents a novel method for determining the liquid level from the outside of a sealed container, which is based on the balance of echo energy received by two receiving sensors. The proposed method uses one transmitting transducer and two receiving sensors that are encapsulated in a coupling plane and arranged by certain rules. The calculation and comparison of echo energy are grounded on the difference ultrasonic impedance between gas and liquid media. First, by analyzing the propagation and attenuation characteristics of ultrasonic waves in a solid, an acoustic model for calculating the echo energy is established and simulated in MATLAB. Second, the proposed method is evaluated through a series of experiments. The difference and ratio of echo energy received by two receiving sensors are calculated and compared under two different coupling conditions. Two kinds of the sensors that are arranged by different rules are selected for measuring the liquid level, and the measurement are analyzed and discussed in detail. Finally, the experimental results indicate that the proposed method can meet the proposed accuracy requirements and can effectively solve the problems caused by some poor coupling conditions.

  18. A Novel Ultrasonic Method for Liquid Level Measurement Based on the Balance of Echo Energy

    PubMed Central

    Zhang, Bin; Wei, Yue-Juan; Liu, Wen-Yi; Zhang, Yan-Jun; Yao, Zong; Zhang, Liang; Xiong, Ji-Jun

    2017-01-01

    This study presents a novel method for determining the liquid level from the outside of a sealed container, which is based on the balance of echo energy received by two receiving sensors. The proposed method uses one transmitting transducer and two receiving sensors that are encapsulated in a coupling plane and arranged by certain rules. The calculation and comparison of echo energy are grounded on the difference ultrasonic impedance between gas and liquid media. First, by analyzing the propagation and attenuation characteristics of ultrasonic waves in a solid, an acoustic model for calculating the echo energy is established and simulated in MATLAB. Second, the proposed method is evaluated through a series of experiments. The difference and ratio of echo energy received by two receiving sensors are calculated and compared under two different coupling conditions. Two kinds of the sensors that are arranged by different rules are selected for measuring the liquid level, and the measurement are analyzed and discussed in detail. Finally, the experimental results indicate that the proposed method can meet the proposed accuracy requirements and can effectively solve the problems caused by some poor coupling conditions. PMID:28350369

  19. Energy levels of ABC-stacked trilayer graphene quantum dots with infinite-mass boundary conditions

    NASA Astrophysics Data System (ADS)

    Mirzakhani, M.; Zarenia, M.; da Costa, D. R.; Ketabi, S. A.; Peeters, F. M.

    2016-10-01

    Using the continuum model, we investigate the confined states and the corresponding wave functions of ABC-stacked trilayer graphene (TLG) quantum dots (QDs). First, a general infinite-mass boundary condition is derived and applied to calculate the electron and hole energy levels of a circular QD in both the absence and presence of a perpendicular magnetic field. Our analytical results for the energy spectra agree with those obtained by using the tight-binding model, where a TLG QD is surrounded by a staggered potential. Our findings show that (i ) the energy spectrum exhibits intervalley symmetry EKe(m ) =-EK'h(m ) for the electron (e) and hole (h) states, where m is the angular momentum quantum number, (i i ) the zero-energy Landau level (LL) is formed by the magnetic states with m ⩽0 for both Dirac valleys, that is different from monolayer and bilayer graphene QD with infinite-mass potential in which only one of the cones contributes, and (i i i ) groups of three quantum Hall edge states in the tight-binding magnetic spectrum approach the zero LL, which results from the layer symmetry in TLG QDs.

  20. Phase diagram of a graphene bilayer in the zero-energy Landau level

    NASA Astrophysics Data System (ADS)

    Knothe, Angelika; Jolicoeur, Thierry

    2016-12-01

    Bilayer graphene under a magnetic field has an octet of quasidegenerate levels due to spin, valley, and orbital degeneracies. This zero-energy Landau level is resolved into several incompressible states whose nature is still elusive. We use a Hartree-Fock treatment of a realistic tight-binding four-band model to understand the quantum ferromagnetism phenomena expected for integer fillings of the octet levels. We include the exchange interaction with filled Landau levels below the octet states. This Lamb-shift-like effect contributes to the orbital splitting of the octet. We give phase diagrams as a function of applied bias and magnetic field. Some of our findings are in agreement with experiments. We discuss the possible appearance of phases with orbital coherence.

  1. Bidirectional Five-Level Power Processing Interface for Low Voltage Battery Energy Storage System

    NASA Astrophysics Data System (ADS)

    Huang, Jain-Yi; Jou, Hurng-Liahng; Wu, Kuen-Der; Lin, You-Si; Wu, Jinn-Chang

    A bidirectional five-level power processing interface for low voltage battery energy storage system (BESS) is developed in this paper. This BESS consists of a bidirectional five-level DC-AC converter, a bidirectional dual boost/buck DC-DC converter and a battery set. This five-level DC-AC converter includes a bidirectional full-bridge converter and a bidirectional dual buck DC-DC converter. The five-level power processing interface can charge power to the battery set form the utility or discharge the power from the battery set to the utility depending on the demanded operation of user. A hardware prototype is developed to verify the performance of this BESS. Experimental results show the performance of the developed BESS is as expected.

  2. COMPREHENSIVE OBSERVATIONS OF THE ULTRAVIOLET SPECTRUM AND IMPROVED ENERGY LEVELS FOR SINGLY IONIZED CHROMIUM (Cr II)

    SciTech Connect

    Sansonetti, Craig J.; Nave, Gillian; Reader, Joseph; Kerber, Florian

    2012-10-15

    We report new observations of the spectrum of singly ionized chromium (Cr II) in the region 1142-3954 A. The spectra were recorded with the National Institute of Standards and Technology 10.7 m normal-incidence vacuum spectrograph and FT700 vacuum ultraviolet Fourier transform spectrometer. More than 3600 lines are classified as transitions among 283 even and 368 odd levels. The new spectral data are used to re-optimize the energy levels, reducing their uncertainties by a typical factor of 20.

  3. Comprehensive Observations of the Ultraviolet Spectrum and Improved Energy Levels for Singly Ionized Chromium (Cr II)

    NASA Astrophysics Data System (ADS)

    Sansonetti, Craig J.; Nave, Gillian; Reader, Joseph; Kerber, Florian

    2012-10-01

    We report new observations of the spectrum of singly ionized chromium (Cr II) in the region 1142-3954 Å. The spectra were recorded with the National Institute of Standards and Technology 10.7 m normal-incidence vacuum spectrograph and FT700 vacuum ultraviolet Fourier transform spectrometer. More than 3600 lines are classified as transitions among 283 even and 368 odd levels. The new spectral data are used to re-optimize the energy levels, reducing their uncertainties by a typical factor of 20.

  4. Vibrational energy levels for CH4 from an ab initio potential.

    PubMed

    Schwenke, D W; Partridge, H

    2001-03-15

    Many areas of astronomy and astrophysics require an accurate high temperature spectrum of methane (CH4). The goal of the present research is to determine an accurate ab initio potential energy surface (PES) for CH4. As a first step towards this goal, we have determined a PES including up to octic terms. We compare our results with experiment and to a PES based on a quartic expansion. Our octic PES gives good agreement with experiment for all levels, while the quartic PES only for the lower levels.

  5. The energy level alignment at metal–molecule interfaces using Wannier–Koopmans method

    SciTech Connect

    Ma, Jie; Liu, Zhen-Fei; Neaton, Jeffrey B.; Wang, Lin-Wang

    2016-06-30

    We apply a recently developed Wannier-Koopmans method (WKM), based on density functional theory (DFT), to calculate the electronic energy level alignment at an interface between a molecule and metal substrate. We consider two systems: benzenediamine on Au (111), and a bipyridine-Au molecular junction. The WKM calculated level alignment agrees well with the experimental measurements where available, as well as previous GW and DFT + Σ results. These results suggest that the WKM is a general approach that can be used to correct DFT eigenvalue errors, not only in bulk semiconductors and isolated molecules, but also in hybrid interfaces.

  6. Accuracy of G W for calculating defect energy levels in solids

    NASA Astrophysics Data System (ADS)

    Chen, Wei; Pasquarello, Alfredo

    2017-07-01

    The accuracy of G W in the determination of defect energy levels is assessed through calculations on a set of well-characterized point defects in semiconductors: the As antisite in GaAs, the substitutional Mg in GaN, the interstitial C in Si, the Si dangling bond, and the Si split-vacancy complex in diamond. We show that the G W scheme achieves a reliable description of charge transition levels, but the overall accuracy is comparable to that of hybrid-functional calculations.

  7. Level Energies, Oscillator Strengths and Lifetimes for Transitions in Pb IV

    SciTech Connect

    Colon, C.; Alonso-Medina, A.; Zanon, A.; Albeniz, J.

    2008-10-22

    Oscillator strengths for several lines of astrophysical interest arising from some configurations and some levels radiative lifetimes of Pb IV have been calculated. These values were obtained in intermediate coupling (IC) and using ab initio relativistic Hartree-Fock calculations. We use for the IC calculations the standard method of least square fitting of experimental energy levels by means of computer codes from Cowan. Transition Probabilities and oscillator strengths obtained, although in general agreement with the rare experimental data, do present some noticeable discrepancies that are studied in the text.

  8. Origin of the core-level binding energy shifts in Au nanoclusters

    NASA Astrophysics Data System (ADS)

    Tal, Alexey A.; Olovsson, Weine; Abrikosov, Igor A.

    2017-06-01

    We investigate the shifts of the core-level binding energies in small gold nanoclusters by using ab initio density-functional-theory calculations. The shift of the 4 f states is calculated for magic-number nanoclusters in a wide range of sizes and morphologies. We find a nonmonotonous behavior of the core-level shift in nanoclusters depending on the size. We demonstrate that there are three main contributions to the Au 4 f shifts, which depend sensitively on the interatomic distances, coordination, and quantum confinement. They are identified and explained by the change of the on-site electrostatic potential.

  9. The energy level alignment at metal–molecule interfaces using Wannier–Koopmans method

    SciTech Connect

    Ma, Jie; Wang, Lin-Wang; Liu, Zhen-Fei; Neaton, Jeffrey B.

    2016-06-27

    We apply a recently developed Wannier–Koopmans method (WKM), based on density functional theory (DFT), to calculate the electronic energy level alignment at an interface between a molecule and metal substrate. We consider two systems: benzenediamine on Au (111), and a bipyridine-Au molecular junction. The WKM calculated level alignment agrees well with the experimental measurements where available, as well as previous GW and DFT + Σ results. Our results suggest that the WKM is a general approach that can be used to correct DFT eigenvalue errors, not only in bulk semiconductors and isolated molecules, but also in hybrid interfaces.

  10. [Selective excitation spectra and energy level structure of Dy3+:ThO2 crystal].

    PubMed

    Yin, M; Krupa, J C

    2001-08-01

    Dy3+:ThO2 crystal was grown by the flux technique for the first time. The emission spectra, excitation spectra and fluorescence decay curves were measured and discussed. By using emission spectra obtained under selective dye laser excitation at 12 K, together with the crystal-field theory, the site symmetry of Dy3+ ions in ThO2 was determined as C3 nu and its energy level structure was tabulated. The lifetime of radiative level 4F9/2 was also determined as 0.40 ms.

  11. Vibrational energy levels for CH4 from an ab initio potential

    NASA Technical Reports Server (NTRS)

    Schwenke, D. W.; Partridge, H.

    2001-01-01

    Many areas of astronomy and astrophysics require an accurate high temperature spectrum of methane (CH4). The goal of the present research is to determine an accurate ab initio potential energy surface (PES) for CH4. As a first step towards this goal, we have determined a PES including up to octic terms. We compare our results with experiment and to a PES based on a quartic expansion. Our octic PES gives good agreement with experiment for all levels, while the quartic PES only for the lower levels.

  12. Level set segmentation of brain magnetic resonance images based on local Gaussian distribution fitting energy.

    PubMed

    Wang, Li; Chen, Yunjie; Pan, Xiaohua; Hong, Xunning; Xia, Deshen

    2010-05-15

    This paper presents a variational level set approach in a multi-phase formulation to segmentation of brain magnetic resonance (MR) images with intensity inhomogeneity. In our model, the local image intensities are characterized by Gaussian distributions with different means and variances. We define a local Gaussian distribution fitting energy with level set functions and local means and variances as variables. The means and variances of local intensities are considered as spatially varying functions. Therefore, our method is able to deal with intensity inhomogeneity without inhomogeneity correction. Our method has been applied to 3T and 7T MR images with promising results.

  13. Vibrational energy levels for CH4 from an ab initio potential

    NASA Technical Reports Server (NTRS)

    Schwenke, D. W.; Partridge, H.

    2001-01-01

    Many areas of astronomy and astrophysics require an accurate high temperature spectrum of methane (CH4). The goal of the present research is to determine an accurate ab initio potential energy surface (PES) for CH4. As a first step towards this goal, we have determined a PES including up to octic terms. We compare our results with experiment and to a PES based on a quartic expansion. Our octic PES gives good agreement with experiment for all levels, while the quartic PES only for the lower levels.

  14. Perovskite Solar Cells Employing Dopant-Free Organic Hole Transport Materials with Tunable Energy Levels.

    PubMed

    Liu, Yongsheng; Hong, Ziruo; Chen, Qi; Chen, Huajun; Chang, Wei-Hsuan; Yang, Yang Michael; Song, Tze-Bin; Yang, Yang

    2016-01-20

    Conjugated small-molecule hole-transport materials (HTMs) with tunable energy levels are designed and synthesized for efficient perovskite solar cells. A champion device with efficiency of 16.2% is demonstrated using a dopant-free DERDTS-TBDT HTM, while the DORDTS-DFBT-HTM-based device shows an inferior performance of 6.2% due to its low hole mobility and unmatched HOMO level with the valence band of perovskite film. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Energy levels, radiative rates and electron impact excitation rates for transitions in Si III

    NASA Astrophysics Data System (ADS)

    Aggarwal, Kanti M.

    2017-09-01

    Energy levels and radiative rates (A-values) for four types of transitions (E1, E2, M1, and M2) are reported for an astrophysically important Mg-like ion Si III, whose emission lines have been observed in a variety of plasmas. For the calculations, well-known and widely-used GRASP code has been adopted, and results are listed for transitions among the 141 levels of the 3 ℓ 3ℓ‧ and 3 ℓ 4 ℓ configurations. Experimental energies are available for only the lowest 58 levels but there is no major discrepancy with theoretical results. Similarly, the A-values and lifetimes show a satisfactory agreement with other available results, particularly for strong E1 transitions. Collision strengths are also calculated, with the DARC code, and listed for resonance transitions over a wide energy range, up to 30 Ryd. No similar results are available in the literature for comparisons. However, comparisons are made with the more important parameter, effective collision strength (Υ), for which recent R-matrix results are available for a wide range of transitions, and over a large range of temperatures. To determine Υ, resonances have been resolved in a narrow energy mesh, although these are not observed to be as important as for other ions. Unfortunately, large discrepancies in Υ values are noted for about half the transitions. The differences increase with increasing temperature and worsen as the upper level J increases. In most cases the earlier results are overestimated, by up to (almost) two orders of magnitude, and this conclusion is consistent with the one observed earlier for Be-like ions.

  16. Quantum cosmological Friedman models with a Yang-Mills field and positive energy levels

    NASA Astrophysics Data System (ADS)

    Gerhardt, Claus

    2010-02-01

    We prove the existence of a spectral resolution of the Wheeler-DeWitt equation when the matter field is provided by a Yang-Mills field, with or without mass term, if the spatial geometry of the underlying spacetime is homothetic to {\\bb R}^{3} . The energy levels of the resulting quantum model, i.e. the eigenvalues of the corresponding self-adjoint Hamiltonian with a pure point spectrum, are strictly positive. This work has been supported by the DFG.

  17. Energy Levels and Branching Ratios of Tm3+ in Ten Garnet Laser Materials

    DTIC Science & Technology

    1991-04-01

    Judd - Ofelt parameters for Tm 3 + in garnets............................................... 8 3. Energy levels of the 1H, and 3 F4 multiplets of Tm 3...electric dipole line strengths, Sed, are from et al [7] were used to calculate the Judd - Ofelt table 6 of that reference. The branching ratio for parameters...while f14 approximately equals the T--- experimental values, and the calculated Ql6 is ij T) ij(6) approximately five times too large. Judd - Ofelt T

  18. Calculations of energy levels and lifetimes of low-lying states of barium and radium

    SciTech Connect

    Dzuba, V. A.; Ginges, J. S. M.

    2006-03-15

    We use the configuration-interaction method and many-body perturbation theory to perform accurate calculations of energy levels, transition amplitudes, and lifetimes of low-lying states of barium and radium. Calculations for radium are needed for the planning of measurements of parity- and time-invariance-violating effects which are strongly enhanced in this atom. Calculations for barium are used to control the accuracy of the calculations.

  19. Energy levels, radiative rates, and lifetimes for transitions in W XL

    SciTech Connect

    Aggarwal, Kanti M. Keenan, Francis P.

    2014-11-15

    Energy levels and radiative rates are reported for transitions in Br-like tungsten, W XL, calculated with the general-purpose relativistic atomic structure package (GRASP). Configuration interaction (CI) has been included among 46 configurations (generating 4215 levels) over a wide energy range up to 213 Ryd. However, for conciseness results are only listed for the lowest 360 levels (with energies up to ∼43 Ryd), which mainly belong to the 4s{sup 2}4p{sup 5},4s{sup 2}4p{sup 4}4d,4s{sup 2}4p{sup 4}4f,4s4p{sup 6},4p{sup 6}4d,4s4p{sup 5}4d,4s{sup 2}4p{sup 3}4d{sup 2}, and 4s{sup 2}4p{sup 3}4d4f configurations, and provided for four types of transitions, E1, E2, M1, and M2. Comparisons are made with existing (but limited) results. However, to fully assess the accuracy of our data, analogous calculations have been performed with the flexible atomic code, including an even larger CI than in GRASP. Our energy levels are estimated to be accurate to better than 0.02 Ryd, whereas results for radiative rates (and lifetimes) should be accurate to better than 20% for a majority of the strong transitions.

  20. Energy Transfer to Upper Trophic Levels on a Small Offshore Bank

    DTIC Science & Technology

    2008-01-01

    laboratory experiments to understand the coupling of physical and biological processes that transfer energy from lower to higher trophic levels on a small...collection of information if it does not display a currently valid OMB control number. 1. REPORT DATE 2008 2. REPORT TYPE 3. DATES COVERED 00-00...orientation and behavior. 3. Use acoustic techniques (sound scattering) to survey the internal wave (IW) field and biological sound scattering on

  1. Synergistic effect of fluorination on molecular energy level modulation in highly efficient photovoltaic polymers.

    PubMed

    Zhang, Maojie; Guo, Xia; Zhang, Shaoqing; Hou, Jianhui

    2014-02-01

    The synergistic effect of fluorination on molecular energy level modulation is realized by introducing fluorine atoms onto both the donor and the acceptor moieties in a D-A polymer, and as a result, the polymer solar cell device based on the trifluorinated polymer, PBT-3F, shows a high efficiency of 8.6%, under illumination of AM 1.5G, 100 mW cm(-) (2) . © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Energy levels and radiative rates for transitions in Fe V, Co VI and Ni VII

    NASA Astrophysics Data System (ADS)

    Aggarwal, K. M.; Bogdanovich, P.; Keenan, F. P.; Kisielius, R.

    2017-03-01

    Energy levels, Landé g-factors and radiative lifetimes are reported for the lowest 182 levels of the 3d4, 3d34s and 3d34p configurations of Fe V, Co VI and Ni VII. Additionally, radiative rates (A-values) have been calculated for the E1, E2 and M1 transitions among these levels. The calculations have been performed in a quasi-relativistic approach (QR) with a very large configuration interaction (CI) wavefunction expansion, which has been found to be necessary for these ions. Our calculated energies for all ions are in excellent agreement with the available measurements, for most levels. Discrepancies among various calculations for the radiative rates of E1 transitions in Fe V are up to a factor of two for stronger transitions (f ≥ 0.1), and larger (over an order of magnitude) for weaker ones. The reasons for these discrepancies have been discussed and mainly are due to the differing amount of CI and methodologies adopted. However, there are no appreciable discrepancies in similar data for M1 and E2 transitions, or the g-factors for the levels of Fe V, the only ion for which comparisons are feasible.

  3. Torsional energy levels of CH₃OH⁺/CH₃OD⁺/CD₃OD⁺ studied by zero-kinetic energy photoelectron spectroscopy and theoretical calculations.

    PubMed

    Dai, Zuyang; Gao, Shuming; Wang, Jia; Mo, Yuxiang

    2014-10-14

    The torsional energy levels of CH3OH(+), CH3OD(+), and CD3OD(+) have been determined for the first time using one-photon zero kinetic energy photoelectron spectroscopy. The adiabatic ionization energies for CH3OH, CH3OD, and CD3OD are determined as 10.8396, 10.8455, and 10.8732 eV with uncertainties of 0.0005 eV, respectively. Theoretical calculations have also been performed to obtain the torsional energy levels for the three isotopologues using a one-dimensional model with approximate zero-point energy corrections of the torsional potential energy curves. The calculated values are in good agreement with the experimental data. The barrier height of the torsional potential energy without zero-point energy correction was calculated as 157 cm(-1), which is about half of that of the neutral (340 cm(-1)). The calculations showed that the cation has eclipsed conformation at the energy minimum and staggered one at the saddle point, which is the opposite of what is observed in the neutral molecule. The fundamental C-O stretch vibrational energy level for CD3OD(+) has also been determined. The energy levels for the combinational excitation of the torsional vibration and the fundamental C-O stretch vibration indicate a strong torsion-vibration coupling.

  4. Contrasting energy pathways at the community level as a consequence of regime shifts.

    PubMed

    Xu, Jun; Wen, Zhourui; Ke, Zhixin; Zhang, Meng; Zhang, Min; Guo, Nichun; Hansson, Lars-Anders; Xie, Ping

    2014-05-01

    Ecological regime shifts typically result in abrupt changes in ecosystem structure through several trophic levels, which leads to rapid ecosystem reconfiguration between regimes. An interesting aspect of the impact of regime shift is that alternative regimes may induce distinct shifts in energy pathways; these have been less tested than structural changes. This paper addresses this by using stable isotopes to establish the energy pathways in fish communities. We specifically focus on the impact of regime shift on changes of the energy pathways, and how the magnitude and direction of these changes affect the local community. We found that energy pathways significantly varied among the planktivorous, benthivorous, and piscivorous trophic guilds as a result of the alternative regimes. The regime shift from a clear to a turbid state altered the food web towards planktonic energy pathways and truncated food chain length, which is indicative of less ecological efficiency. This was confirmed by the adaptive foraging strategies of prevalent omnivores in the current communities. These structural and functional characteristics of trophic interactions might not facilitate classic trophic cascading effects in such a turbid regime and suppress the system's response to environmental changes, e.g., nutrient loading, and restoration efforts in turbid to clear water regime shifts.

  5. Hierarchic finite level energy landscape model: to describe the refolding kinetics of phosphoglycerate kinase.

    PubMed

    Osváth, Szabolcs; Herényi, Levente; Závodszky, Péter; Fidy, Judit; Köhler, Gottfried

    2006-08-25

    One of the most intriguing predictions of energy landscape models is the existence of non-exponential protein folding kinetics caused by hierarchical structures in the landscapes. Here we provide the strongest evidence so far of such hierarchy and determine the time constants and weights of the kinetic components of the suggested hierarchic energy landscape. To our knowledge, the idea of hierarchical folding energy barriers has never been tested over such a broad timescale. Refolding of yeast phosphoglycerate kinase was initiated from the guanidine-unfolded state by stopped-flow or manual mixing and monitored by tryptophan fluorescence from 1 ms to 15 min. The strategy to build a model that describes folding of yeast phosphoglycerate kinase was to start from the simplest paradigm and modify it stepwise to the necessary minimal extent after repeated comparisons with the experiments. We made no a priori assumptions about the folding landscape. The result was a hierarchic finite level landscape model that quantitatively describes the refolding of yeast phosphoglycerate kinase from 1 ms to 15 min. The early steps of the folding process happen in the upper region of the landscape, where the surface has a hierarchic structure. This leads to stretched kinetics in the early phase of the folding. The lower region of the energy landscape is dominated by a trap that reflects the accumulation of molten globule intermediate state. From this intermediate, the protein can reach the global energy minimum corresponding to the native state through a cross-barrier folding step.

  6. Effect of acidity on the energy level of curcumin dye extracted from Curcuma longa L.

    NASA Astrophysics Data System (ADS)

    Agustia, Yuda Virgantara; Suyitno, Arifin, Zainal; Sutanto, Bayu

    2016-03-01

    The purpose of this research is to investigate the effect of acidity on the energy level of curcumin dye. The natural dye, curcumin, was synthesized from Curcuma longa L. using a simple extraction technique. The purification of curcumin dye was conducted in a column of chromatography and its characteristics were studied. Next, the purified curcumin dye was added by benzoic acids until various acidities of 3.0, 3.5, 4.0, 4.5, and 5.0. The absorbance spectra and the functionality groups found in the dyes were detected by ultraviolet-visible spectroscopy and Fourier-transform infrared spectroscopy, respectively. Meanwhile, the energy level of the dyes, EHOMO and ELUMO was measured by cyclic voltammetry. The best energy level of curcumin dye was achieved at pH 3.5 where Ered = -0.37V, ELUMO = -4.28 eV, Eox = 1.15V, EHOMO = -5.83 eV, and Eband gap = 1.55 eV. Therefore, the purified curcumin dye added by benzoic acid was promising for sensitizing the dye-sensitized solar cells.

  7. Efficient light emission from inorganic and organic semiconductor hybrid structures by energy-level tuning

    PubMed Central

    Schlesinger, R.; Bianchi, F.; Blumstengel, S.; Christodoulou, C.; Ovsyannikov, R.; Kobin, B.; Moudgil, K.; Barlow, S.; Hecht, S.; Marder, S.R.; Henneberger, F.; Koch, N.

    2015-01-01

    The fundamental limits of inorganic semiconductors for light emitting applications, such as holographic displays, biomedical imaging and ultrafast data processing and communication, might be overcome by hybridization with their organic counterparts, which feature enhanced frequency response and colour range. Innovative hybrid inorganic/organic structures exploit efficient electrical injection and high excitation density of inorganic semiconductors and subsequent energy transfer to the organic semiconductor, provided that the radiative emission yield is high. An inherent obstacle to that end is the unfavourable energy level offset at hybrid inorganic/organic structures, which rather facilitates charge transfer that quenches light emission. Here, we introduce a technologically relevant method to optimize the hybrid structure's energy levels, here comprising ZnO and a tailored ladder-type oligophenylene. The ZnO work function is substantially lowered with an organometallic donor monolayer, aligning the frontier levels of the inorganic and organic semiconductors. This increases the hybrid structure's radiative emission yield sevenfold, validating the relevance of our approach. PMID:25872919

  8. Crystal field parameters and energy levels scheme of trivalent chromium doped BSO

    SciTech Connect

    Petkova, P.; Andreici, E.-L.; Avram, N. M.

    2014-11-24

    The aim of this paper is to give an analysis of crystal field parameters and energy levels schemes for the above doped material, in order to give a reliable explanation for experimental data. The crystal field parameters have been modeled in the frame of Exchange Charge Model (ECM) of the crystal field theory, taken into account the geometry of systems, with actually site symmetry of the impurity ions. The effect of the charges of the ligands and covalence bonding between chromium cation and oxygen anions, in the cluster approach, also were taken into account. With the obtained values of the crystal field parameters we simulated the scheme of energy levels of chromium ions by diagonalizing the matrix of the Hamiltonian of the doped crystal. The obtained energy levels and estimated Racah parameters B and C were compared with the experimental spectroscopic data and discussed. Comparison with experiment shows that the results are quite satisfactory which justify the model and simulation scheme used for the title system.

  9. Pronounced polarization-induced energy level shifts at boundaries of organic semiconductor nanostructures

    PubMed Central

    Cochrane, K. A.; Schiffrin, A.; Roussy, T. S.; Capsoni, M.; Burke, S. A.

    2015-01-01

    Organic semiconductor devices rely on the movement of charge at and near interfaces, making an understanding of energy level alignment at these boundaries an essential element of optimizing materials for electronic and optoelectronic applications. Here we employ low temperature scanning tunneling microscopy and spectroscopy to investigate a model system: two-dimensional nanostructures of the prototypical organic semiconductor, PTCDA (3,4,9,10-perylenetetracarboxylic dianhydride) adsorbed on NaCl (2 ML)/Ag(111). Pixel-by-pixel scanning tunneling spectroscopy allows mapping of occupied and unoccupied electronic states across these nanoislands with sub-molecular spatial resolution, revealing strong electronic differences between molecules at the edges and those in the centre, with energy level shifts of up to 400 meV. We attribute this to the change in electrostatic environment at the boundaries of clusters, namely via polarization of neighbouring molecules. The observation of these strong shifts illustrates a crucial issue: interfacial energy level alignment can differ substantially from the bulk electronic structure in organic materials. PMID:26440933

  10. Efficient light emission from inorganic and organic semiconductor hybrid structures by energy-level tuning.

    PubMed

    Schlesinger, R; Bianchi, F; Blumstengel, S; Christodoulou, C; Ovsyannikov, R; Kobin, B; Moudgil, K; Barlow, S; Hecht, S; Marder, S R; Henneberger, F; Koch, N

    2015-04-15

    The fundamental limits of inorganic semiconductors for light emitting applications, such as holographic displays, biomedical imaging and ultrafast data processing and communication, might be overcome by hybridization with their organic counterparts, which feature enhanced frequency response and colour range. Innovative hybrid inorganic/organic structures exploit efficient electrical injection and high excitation density of inorganic semiconductors and subsequent energy transfer to the organic semiconductor, provided that the radiative emission yield is high. An inherent obstacle to that end is the unfavourable energy level offset at hybrid inorganic/organic structures, which rather facilitates charge transfer that quenches light emission. Here, we introduce a technologically relevant method to optimize the hybrid structure's energy levels, here comprising ZnO and a tailored ladder-type oligophenylene. The ZnO work function is substantially lowered with an organometallic donor monolayer, aligning the frontier levels of the inorganic and organic semiconductors. This increases the hybrid structure's radiative emission yield sevenfold, validating the relevance of our approach.

  11. Effect of acidity on the energy level of curcumin dye extracted from Curcuma longa L

    SciTech Connect

    Agustia, Yuda Virgantara Suyitno, Sutanto, Bayu; Arifin, Zainal

    2016-03-29

    The purpose of this research is to investigate the effect of acidity on the energy level of curcumin dye. The natural dye, curcumin, was synthesized from Curcuma longa L. using a simple extraction technique. The purification of curcumin dye was conducted in a column of chromatography and its characteristics were studied. Next, the purified curcumin dye was added by benzoic acids until various acidities of 3.0, 3.5, 4.0, 4.5, and 5.0. The absorbance spectra and the functionality groups found in the dyes were detected by ultraviolet-visible spectroscopy and Fourier-transform infrared spectroscopy, respectively. Meanwhile, the energy level of the dyes, E{sub HOMO} and E{sub LUMO} was measured by cyclic voltammetry. The best energy level of curcumin dye was achieved at pH 3.5 where E{sub red} = −0.37V, E{sub LUMO} = −4.28 eV, E{sub ox} = 1.15V, E{sub HOMO} = −5.83 eV, and E{sub band} {sub gap} = 1.55 eV. Therefore, the purified curcumin dye added by benzoic acid was promising for sensitizing the dye-sensitized solar cells.

  12. Pronounced polarization-induced energy level shifts at boundaries of organic semiconductor nanostructures

    NASA Astrophysics Data System (ADS)

    Cochrane, K. A.; Schiffrin, A.; Roussy, T. S.; Capsoni, M.; Burke, S. A.

    2015-10-01

    Organic semiconductor devices rely on the movement of charge at and near interfaces, making an understanding of energy level alignment at these boundaries an essential element of optimizing materials for electronic and optoelectronic applications. Here we employ low temperature scanning tunneling microscopy and spectroscopy to investigate a model system: two-dimensional nanostructures of the prototypical organic semiconductor, PTCDA (3,4,9,10-perylenetetracarboxylic dianhydride) adsorbed on NaCl (2 ML)/Ag(111). Pixel-by-pixel scanning tunneling spectroscopy allows mapping of occupied and unoccupied electronic states across these nanoislands with sub-molecular spatial resolution, revealing strong electronic differences between molecules at the edges and those in the centre, with energy level shifts of up to 400 meV. We attribute this to the change in electrostatic environment at the boundaries of clusters, namely via polarization of neighbouring molecules. The observation of these strong shifts illustrates a crucial issue: interfacial energy level alignment can differ substantially from the bulk electronic structure in organic materials.

  13. Vibrational energy levels of difluorodioxirane computed with variational and perturbative methods from a hybrid force field.

    PubMed

    Ramakrishnan, Raghunathan; Carrington, Tucker

    2014-02-05

    We have computed vibrational energy levels of difluorodioxirane (CF2O2). For the potential, a Taylor expansion in normal coordinates is used. The CCSD(T) and MP2 methods and correlation consistent basis sets of quadruple-zeta quality are used to determine the force constants. The vibrational Schrödinger equation was solved using both a variational method and second order perturbation theory. The Watson kinetic energy operator and a discrete variable representation were used with the DEWE (E. Mátyus, G. Czakó, B.T. Sutcliffe and A.G. Császár, J. Chem. Phys. 127 (2007) 084102) computer program to do the variational calculations. For the variational calculations, the average absolute deviation of fundamentals, with respect to experimental values, is less than 3 cm(-1). Perturbative results are almost as good. About 300 vibrational levels were computed. (16)O→(18)O isotopic shifts have also been calculated variationally for the lowest 75 vibrational energy levels and are compared to experimental results. Copyright © 2012 Elsevier B.V. All rights reserved.

  14. A new classification of the amino acid side chains based on doublet acceptor energy levels.

    PubMed Central

    Sneddon, S F; Morgan, R S; Brooks, C L

    1988-01-01

    We describe a new classification of the amino acid side chains based on the potential energy level at which each will accept an extra (doublet) electron. The doublet acceptor energy level, and the doublet acceptor orbital were calculated using semiempirical INDO/2-UHF molecular orbital theory. The results of these calculations show that the side chains fall into four groups. We have termed these groups repulsive, insulating, semiconducting, and attractive in accordance with where each lies on the relative energy scale. We use this classification to examine the role of residues between the donor and acceptor in modulating the rate and mechanism of electron transfer in proteins. With the calculated acceptor levels, we construct a potential barrier for those residues between the donor and acceptor. It is the area beneath this barrier that determines the decay of electronic coupling between donor and acceptor, and thus the transfer rate. We have used this schematic approach to characterize the four electron transfer pathways in myoglobin recently studied by Mayo et al. (Mayo, S.L., W.R. Ellis, R.J. Crutchley, and H.B. Gray. 1986. Science [Wash. DC]. 233:948-952). PMID:3342271

  15. An analysis of Renewable Portfolio Standard policy formulation and its influence on state level energy prices

    NASA Astrophysics Data System (ADS)

    McCollester, Peter Colin

    Over the past two decades, environmental concern has crept to the forefront of the world policy agenda. This concern has manifested itself differently throughout the world. In the United States, this has come in the form of Renewable Portfolio Standards (RPS) which have become one of the primary policy tools which states use to encourage renewable energy generation. The advent of RPS has spurred intense debate at a federal and state level, centering on the economic merits of promoting renewable energy generation. Detractors argue that RPS will raise electricity rates, since generation from renewable sources is typically costlier than energy generated from fossil fuels. At this point, evidence to the relationship between RPS on electricity prices remains unclear. Researchers have attempted to understand this relationship through a variety of means. The most common being regression based models, which utilize readily available United States Energy Information Agency (US EIA) data, and have uncovered a number of important independent variables which are incorporated into the model in this study. Examples include personal income, state population, and deregulation of an energy market. In addition to empirical studies, the National Renewable Energy Laboratory (NREL) has created complex mathematical models which generate scenario projections based on a number of assumptions. While interesting, these are forward looking tools and as such have not yielded a tremendous amount of insight into the underlying policy mechanics of RPS. A challenge of addressing this topic which is worth noting is that much of the research available which analyzes the merits of RPS caters to distinct political or private sector agendas. The research gathered for this study is comprehensive, and attempts to avoid studies with any clear political, ideological, or financial motivation. Using the insights from previous researchers this study develops a rigorous fixed effects regression model to

  16. Charge Transfer, Energy-level ''Lineup'' and Transmission in Molecular Electronic Devices

    NASA Astrophysics Data System (ADS)

    Xue, Yongqiang; Datta, Supriyo; Ratner, Mark

    2001-03-01

    There has been strong interest and significant progress in measuring electron transport through single molecules, due to their potential use in future molecular nanotechnology. Such molecular electronic devices usually involve the adsorption of single or a small group of molecules onto two large metallic electrodes. Understanding the electronic property of such metal-molecule-metal systems at equilibrium therefore provides the starting point for understanding their property under nonzero bias. We present first-principle based calculation of some equilibrium properties of the molecular device formed by a phenyldithiolate molecule bridging two gold electrodes, i.e., charge transfer, energy-level ''lineup'' and transmission. In contrast to previous works, we have used local-spin-density-functional theory with a Gaussian-type orbital basis, which not only allows us to use established techniques in molecular electronic structure theory but also to rationalize the result of computation in terms of the familiar language of bonding and orbital interactions in chemistry. We show that significant charge transfer from the metal to the molecule occurs, involving mostly the end sulfur atoms and localized in the interfacial region. Such charge transfer increases the electrostatic potential in the molecule thus changing the energy level structure and the corresponding charge distribution within the molecule. The interaction between the resulting molecular orbitals and the surface metal states determines the lineup of molecular levels relative to the metal Fermi-level and the transmission through the molecule. Our work also points to the importance of interface ''engineering'' for controlling the charge transfer and therefore the energy-level ''lineup'' in molecular electronic devices.

  17. Detection of high-frequency energy level changes in speech and singing.

    PubMed

    Monson, Brian B; Lotto, Andrew J; Story, Brad H

    2014-01-01

    Previous work has shown that human listeners are sensitive to level differences in high-frequency energy (HFE) in isolated vowel sounds produced by male singers. Results indicated that sensitivity to HFE level changes increased with overall HFE level, suggesting that listeners would be more "tuned" to HFE in vocal production exhibiting higher levels of HFE. It follows that sensitivity to HFE level changes should be higher (1) for female vocal production than for male vocal production and (2) for singing than for speech. To test this hypothesis, difference limens for HFE level changes in male and female speech and singing were obtained. Listeners showed significantly greater ability to detect level changes in singing vs speech but not in female vs male speech. Mean differences limen scores for speech and singing were about 5 dB in the 8-kHz octave (5.6-11.3 kHz) but 8-10 dB in the 16-kHz octave (11.3-22 kHz). These scores are lower (better) than those previously reported for isolated vowels and some musical instruments.

  18. Detection of high-frequency energy level changes in speech and singing

    PubMed Central

    Monson, Brian B.; Lotto, Andrew J.; Story, Brad H.

    2014-01-01

    Previous work has shown that human listeners are sensitive to level differences in high-frequency energy (HFE) in isolated vowel sounds produced by male singers. Results indicated that sensitivity to HFE level changes increased with overall HFE level, suggesting that listeners would be more “tuned” to HFE in vocal production exhibiting higher levels of HFE. It follows that sensitivity to HFE level changes should be higher (1) for female vocal production than for male vocal production and (2) for singing than for speech. To test this hypothesis, difference limens for HFE level changes in male and female speech and singing were obtained. Listeners showed significantly greater ability to detect level changes in singing vs speech but not in female vs male speech. Mean differences limen scores for speech and singing were about 5 dB in the 8-kHz octave (5.6–11.3 kHz) but 8–10 dB in the 16-kHz octave (11.3–22 kHz). These scores are lower (better) than those previously reported for isolated vowels and some musical instruments. PMID:24437780

  19. Calculation of energy levels, {ital E}1 transition amplitudes, and parity violation in francium

    SciTech Connect

    Dzuba, V.A.; Flambaum, V.V.; Sushkov, O.P.

    1995-05-01

    Many-body perturbation theory in the screened Coulomb interaction was used to calculate energy levels, {ital E}1 trransition amplitudes, and the parity-nonconserving (PNC) {ital E}1 amplitude of the 7{ital s}-8{ital s} transition in francium. The method takes into account the core-polarization effect, the second-order correlations, and the three dominating sequences of higher-order correlation diagrams: screening of the electron-electron interaction, particle-hole interaction, and the iterations of the self-energy operator. The result for the PNC amplitude for {sup 223}Fr is {ital E}1(7{ital s}-8{ital s})=(1.59{plus_minus}{similar_to}1%){times}10{sup {minus}10}{ital iea}{sub {ital B}}({minus}{ital Q}{sub {ital W}}/{ital N}), where {ital Q}{sub {ital W}} is the weak charge of the nucleus, {ital N}=136 is the number of neutrons, {ital e}={vert_bar}{ital e}{vert_bar} is the elementary charge, and {ital a}{sub {ital B}} is the Bohr radius. Our prediction for the position of the 8{ital s} energy level of Fr, which has not been measured yet, is 13 110 cm{sup {minus}1} below the limit of the continuous spectrum. The accuracy of the calculations was controlled by comparison with available experimental data and analogous calculations for cesium. It is estimated to be {similar_to}0.1% for the energy levels and {similar_to}1% for the transition amplitudes.

  20. Light-Controlled Reversible Modulation of Frontier Molecular Orbital Energy Levels in Trifluoromethylated Diarylethenes.

    PubMed

    Herder, Martin; Eisenreich, Fabian; Bonasera, Aurelio; Grafl, Anna; Grubert, Lutz; Pätzel, Michael; Schwarz, Jutta; Hecht, Stefan

    2017-01-17

    Among bistable photochromic molecules, diarylethenes (DAEs) possess the distinct feature that upon photoisomerization they undergo a large modulation of their π-electronic system, accompanied by a marked shift of the HOMO/LUMO energies and hence oxidation/reduction potentials. The electronic modulation can be utilized to remote-control charge- as well as energy-transfer processes and it can be transduced to functional entities adjacent to the DAE core, thereby regulating their properties. In order to exploit such photoswitchable systems it is important to precisely adjust the absolute position of their HOMO and LUMO levels and to maximize the extent of the photoinduced shifts of these energy levels. Here, we present a comprehensive study detailing how variation of the substitution pattern of DAE compounds, in particular using strongly electron-accepting and chemically stable trifluoromethyl groups either in the periphery or at the reactive carbon atoms, allows for the precise tuning of frontier molecular orbital levels over a broad energy range and the generation of photoinduced shifts of more than 1 eV. Furthermore, the effect of different DAE architectures on the transduction of these shifts to an adjacent functional group is discussed. Whereas substitution in the periphery of the DAE motif has only minor implications on the photochemistry, trifluoromethylation at the reactive carbon atoms strongly disturbs the isomerization efficiency. However, this can be overcome by using a nonsymmetrical substitution pattern or by combination with donor groups, rendering the resulting photoswitches attractive candidates for the construction of remote-controlled functional systems.

  1. Energy levels of an anisotropic three-dimensional polaron in a magnetic field

    NASA Astrophysics Data System (ADS)

    Brancus, D. E.; Stan, G.

    2001-06-01

    In the context of the improved Wigner-Brillouin theory, the energy levels are found of a Fröhlich polaron in a uniaxial anisotropic polar semiconductor with complex structure, placed in a magnetic field directed either along the optical axis or orthogonal to it. All sources of anisotropy that are contained in the shape of constant-energy surfaces of the bare electron, the electron-optical-phonon interaction, and the frequency spectrum of the extraordinary phonon modes are considered. Analytical results for the electron-phonon interaction correction to the Landau levels below the optical-phonon continuum are given and, numerical results for the magnetic-field dependence of the cyclotron resonance frequency at low temperature are presented for the particular case of the layered semiconductors InSe and GaSe. Although the interaction between the bare electron and quasitransverse optical-phonon modes is weak, these modes play an important role in the pinning of Landau levels. The results given by Das Sarma for a two-dimensional isotropic magnetopolaron are generalized to the anisotropic uniaxial case by taking formally m∥-->∞ in the expression of the perturbed Landau levels found when the magnetic field is directed along the optical axis, m∥ being the component of the bare-electron effective-mass tensor along the optical axis.

  2. Non-High-Density Lipoprotein Cholesterol in Children with Diabetes: Proposed Treatment Recommendations Based on Glycemic Control, Body Mass Index, Age, Sex, and Generally Accepted Cut Points.

    PubMed

    Schwab, K Otfried; Doerfer, Jürgen; Hungele, Andreas; Scheuing, Nicole; Krebs, Andreas; Dost, Axel; Rohrer, Tilman R; Hofer, Sabine; Holl, Reinhard W

    2015-12-01

    Percentile-based non-high-density lipoprotein cholesterol levels were analyzed by glycemic control, weight, age, and sex of children with type 1 diabetes (n = 26,358). Ten percent of all children and 25% of overweight adolescent girls require both immediate lipid-lowering medication and lifestyle changes to achieve non-high-density lipoprotein cholesterol levels <120 mg/dL and cardiovascular risk reduction.

  3. Energy level alignment at the methylammonium lead iodide/copper phthalocyanine interface

    SciTech Connect

    Chen, Shi; Goh, Teck Wee; Sum, Tze Chien E-mail: Tzechien@ntu.edu.sg; Sabba, Dharani; Chua, Julianto; Mathews, Nripan; Huan, Cheng Hon Alfred E-mail: Tzechien@ntu.edu.sg

    2014-08-01

    The energy level alignment at the CH{sub 3}NH{sub 3}PbI{sub 3}/copper phthalocyanine (CuPc) interface is investigated by X-ray photoelectron spectroscopy (XPS) and ultraviolet photoelectron spectroscopy (UPS). XPS reveal a 0.3 eV downward band bending in the CuPc film. UPS validate this finding and further reveal negligible interfacial dipole formation – verifying the viability of vacuum level alignment. The highest occupied molecular orbital of CuPc is found to be closer to the Fermi level than the valance band maximum of CH{sub 3}NH{sub 3}PbI{sub 3}, facilitating hole transfer from CH{sub 3}NH{sub 3}PbI{sub 3} to CuPc. However, subsequent hole extraction from CuPc may be impeded by the downward band bending in the CuPc layer.

  4. Fine-structure energy levels, radiative rates and lifetimes in Si-like nickel

    NASA Astrophysics Data System (ADS)

    Gupta, G. P.; Msezane, A. Z.

    2012-07-01

    Large scale CIV3 calculations of excitation energies from ground state as well as of oscillator strengths and radiative decay rates for all electric-dipole-allowed and intercombination transitions among the fine-structure levels of the terms belonging to the (1s22s22p6)3s23p2, 3s3p3, 3p4, 3s23p3d, 3s23p4s, 3s23p4p, 3s23p4d and 3s23p4f configurations of Ni XV, are performed using very extensive configuration-interaction wave functions. The relativistic effects in intermediate coupling are incorporated by means of the Breit-Pauli Hamiltonian. In order to keep our calculated energy splittings as close as possible to the National Institute of Standard and Technology (NIST) values, we have made small adjustments to the diagonal elements of the Hamiltonian matrices. Our calculated excitation energies, including their ordering, are in excellent agreement with the available NIST results. From our radiative decay rates we have also calculated radiative lifetimes of the fine-structure levels. It is noted that our calculated radiative rates show significant disagreement (23-30%) with those calculated by Ishikawa and Vilkas (2002 Phys. Scr. 65 219) for the transitions involving the 3s3p3(5S2) level. For this high spin level 3s3p3(5S2) our calculated lifetime is found to be in excellent agreement with the experimental value of Träbert et al (1989 Z. Phys. D 11 207). In this calculation, we also predict many additional new and accurate data for various optically allowed and intercombination transitions to complete the void in the existing data.

  5. Influence of sulfur oxidation on the absorption and electronic energy levels of poly(thienothiophene) derivatives.

    PubMed

    He, Youjun; Zhang, Maojie; Min, Jie; Zhao, Guangjin; Li, Yongfang

    2009-11-12

    Two poly(thienothiophene) derivatives containing thieno[3,2-b]thiophene-4,4-dioxide unit were synthesized by Pd-catalyzed Stille coupling method. They were poly(3,6-dihexyl-thieno[3,2-b]thiophene-4,4-dioxide vinylene) (P2) and poly(2,5-diyl-3,6-dihexyl-thieno[3,2-b]thiophene-4,4-dioxide)-co-(2,5-diyl-thiophene) (P4). Poly(3,6-dihexyl-thieno[3,2-b] thiophene vinylene) (P1) and poly(2,5-diyl-3,6-dihexyl-thieno[3,2-b] thiophene)-co-(2,5-diyl-thiophene) (P3) were synthesized for comparison with P2 and P4. After sulfur oxidation on the thienothiophene units, the absorption peaks of the polymer solutions were red-shifted from 540 nm of P1 to 625 nm of P2 and from 445 nm of P3 to 520 nm of P4. The absorption peaks of the polymer films were red-shifted more significantly from 542 nm of P1 to 630 nm of P2 and from 480 nm of P3 to 564 nm of P4. The lowest unoccupied molecular orbital (LUMO) and highest occupied molecular orbital (HOMO) energy levels also decreased a lot after the sulfur oxidation. In comparison with P1, the LUMO and HOMO energy levels of P2 decreased by 0.59 and 0.35 eV, respectively. The levels were 0.87 and 0.39 eV lower in the LUMO and HOMO energy levels of P4 than in that of P3.

  6. Combined impacts of tidal energy extraction and sea level rise in the Gulf of Maine

    NASA Astrophysics Data System (ADS)

    Hashemi, M. R.; Kresning, B.

    2016-12-01

    The objective of this study was to assess the combined effects of SLR and tidal energy extraction on the dynamics of tides in the Gulf of Maine in both US and Canadian waters. The dynamics of tides in the Gulf of Maine is dominated by tidal resonance, which generates one of the largest tidal ranges in the world. Further, sea level rise (SLR) is affecting tidal circulations globally, and in the Gulf of Maine. A large tidal energy resource is available in the Gulf of Maine, particularly in the Bay of Fundy, and is expected to be harvested in the future. Currently, more than 6 projects are operational or under development in this region (in both US and Canadian waters). Understanding the far-field impacts of tidal-stream arrays is important for future development of tidal energy extraction. The impacts include possible changes in water elevation, which can potentially increase flooding in coastal areas. Further, SLR can affect tidal energy resources and the impacts of tidal energy extraction during the project lifetime - which is usually more than 25 years. A tidal model of the Gulf of Maine was developed using Regional Ocean Model System (ROMS) at one arcminute scale. An array of turbines were simulated in the model. After validation of the model at NOAA tidal gauge stations and NERACOOS buoys, several scenarios; including SLR scenario, and tidal extraction scenario, were examined. In particular, the results of a recent research was used to assess the impacts of SLR on the boundary of the model domain, which was neglected in previous studies. The results of the impacts of the tidal energy extraction with and without the SLR were presented, and compared with those from literature. This includes the decrease of tidal range and M2 amplitude in Minas Basin due to the 2.5 GW extraction scenario, and possible changes in Massachusetts coastal area. The impacts were compared with the level of uncertainty in the model. It was shown that the impact of SLR on the dynamics of

  7. Size-dependent energy levels of InSb quantum dots measured by scanning tunneling spectroscopy.

    PubMed

    Wang, Tuo; Vaxenburg, Roman; Liu, Wenyong; Rupich, Sara M; Lifshitz, Efrat; Efros, Alexander L; Talapin, Dmitri V; Sibener, S J

    2015-01-27

    The electronic structure of single InSb quantum dots (QDs) with diameters between 3 and 7 nm was investigated using atomic force microscopy (AFM) and scanning tunneling spectroscopy (STS). In this size regime, InSb QDs show strong quantum confinement effects which lead to discrete energy levels on both valence and conduction band states. Decrease of the QD size increases the measured band gap and the spacing between energy levels. Multiplets of equally spaced resonance peaks are observed in the tunneling spectra. There, multiplets originate from degeneracy lifting induced by QD charging. The tunneling spectra of InSb QDs are qualitatively different from those observed in the STS of other III-V materials, for example, InAs QDs, with similar band gap energy. Theoretical calculations suggest the electron tunneling occurs through the states connected with L-valley of InSb QDs rather than through states of the Γ-valley. This observation calls for better understanding of the role of indirect valleys in strongly quantum-confined III-V nanomaterials.

  8. Energy and antioxidant responses of pacific oyster exposed to trace levels of pesticides.

    PubMed

    Epelboin, Yanouk; Quéré, Claudie; Pernet, Fabrice; Pichereau, Vianney; Corporeau, Charlotte

    2015-09-21

    Here, we assess the physiological effects induced by environmental concentrations of pesticides in Pacific oyster Crassostrea gigas. Oysters were exposed for 14 d to trace levels of metconazole (0.2 and 2 μg/L), isoproturon (0.1 and 1 μg/L), or both in a mixture (0.2 and 0.1 μg/L, respectively). Exposure to trace levels of pesticides had no effect on the filtration rate, growth, and energy reserves of oysters. However, oysters exposed to metconazole and isoproturon showed an overactivation of the sensing-kinase AMP-activated protein kinase α (AMPKα), a key enzyme involved in energy metabolism and more particularly glycolysis. In the meantime, these exposed oysters showed a decrease in hexokinase and pyruvate kinase activities, whereas 2-DE proteomic revealed that fructose-1,6-bisphosphatase (F-1,6-BP), a key enzyme of gluconeogenesis, was up-regulated. Activities of antioxidant enzymes were higher in oysters exposed to the highest pesticide concentrations. Both pesticides enhanced the superoxide dismutase activity of oysters. Isoproturon enhanced catalase activity, and metconazole enhanced peroxiredoxin activity. Overall, our results show that environmental concentrations of metconazole or isoproturon induced subtle changes in the energy and antioxidant metabolisms of oysters.

  9. Energy levels, transition probabilities, and electron impact excitations for La XXX

    SciTech Connect

    Zhong, J.Y. . E-mail: jyzhong@aphy.iphy.ac.cn; Zhao, G.; Zhang, J.

    2006-09-15

    energy levels, spontaneous radiative decay rates, and electron impact collision strengths are calculated for La XXX. The data refer to 107 fine-structure levels belonging to the configurations (1s{sup 2}2s{sup 2}2p{sup 6})3s{sup 2}3p{sup 6}3d{sup 10}, 3s{sup 2}3p{sup 6}3d{sup 9}4l, 3s{sup 2}3p{sup 5}3d{sup 10}4l, and 3s3p{sup 6}3d{sup 10}4l (l = s, p, d, f). The collision strengths are calculated with a 20-collision-energy grid in terms of the energy of the scattered electron between 10 and 10,000 eV by using the distorted-wave approximation. Effective collision strengths are obtained at seven electron temperatures: T {sub e} (eV) = 10, 100, 300, 500, 800, 1000, and 1500 by integrating the collision strengths over a Maxwellian electron distribution. Coupled with these atomic data, a hydrodynamic code MED103 can be used to simulate the Ni-like La X-ray laser at 8.8 nm.

  10. Core-level binding-energy shifts for the metallic elements

    NASA Astrophysics Data System (ADS)

    Johansson, Börje; Mårtensson, Nils

    1980-05-01

    A general treatment of core-level binding-energy shifts in metals relative to the free atom is introduced and applied to all elemental metals in the Periodic Table. The crucial ingredients of the theoretical description are (a) the assumption of a fully screened final state in the metallic case and (b) the (Z+1) approximation for the screening valence charge distribution around the core-ionized site. This core-ionized site is, furthermore, treated as an impurity in an otherwise perfect metal. The combination of the complete screening picture and the (Z+1) approximation makes it possible to introduce a Born-Haber cycle which connects the initial state with the final state of the core-ionization process. From this cycle it becomes evident that the main contributions to the core-level shift are the cohesive energy difference between the (Z+1) and Z metal and an appropriate ionization energy of the (Z+1) atom (usually the first ionization potential). The appearance of the ionization potential in the shift originates from the assumption of a charge-neutral final state, while the contribution from the cohesive energies essentially describes the change of bonding properties between the initial and final state of the site. The calculated shifts show very good agreement with available experimental values (at present, for 19 elements). For the other elements we have made an effort to combine experimental ionization potentials with theoretical calculations in order to obtain accurate estimates of some of the atomic-core-level binding energies. Such energies together with measured metallic binding energies give "pseudoexperimental" shifts for many elements. Our calculated core-level shifts agree exceedingly well also with these data. For some of the transition elements the core-level shift shows a deviating behavior in comparison with that of neighboring elements. This is shown to be due to a difference in the atomic ground-state configuration, such as, for example, d5s in

  11. Dissipative relaxation of a low-energy intermediate electronic state in three-level electron transfer

    NASA Astrophysics Data System (ADS)

    Kuznetsov, Aleksandr M.; Ulstrup, Jens

    1991-11-01

    Long-range electron transfer (ET) in molecular and solid state systems always involves intermediate "environmental" electronic states. These participate in the superexchange mode if their energies are high, or sequentially when the energy is low and the states temporarily populated. The intermediate state nuclear motion can, however, be partially unrelaxed prior to the second ET step and the latter mechanism therefore differs from that of consecutive independent ET steps. We have analyzed the effect of intermediate state vibrational damping in a three-level process by a one-dimensional model and simple trajectory calculations. Damping is most reflected in the diabatic limit. Complete absence of damping gives a quadratic dependence on the electron exchange matrix elements. This differs from the fourth-order dependence obtained by second-order perturbation theory and a single reactive attempt at the intermediate-final state crossing. Vibrational damping drastically modifies this and the dependence on the electronic factor can now be of either second or fourth order, depending on the energies of the two crossing regions. This can have profound effects on the reaction free energy profile, external field dependence, etc. We finally discuss the first two ET steps in the bacterial photosynthetic reaction centre in terms of these views.

  12. V-V energy transfer from high vibrational levels of propynal

    SciTech Connect

    Brenner, D M

    1980-01-01

    Results on infrared multiphoton absorption in propynal in which changes in the vibrational populations of ..nu../sub 6/ (v = 1,2) and ..nu../sub 10/ (v = 1,2) pumped under molecular beam or fast flow conditions were observed and reported recently. By producing a vibrationally excited beam of propynal and allowing for subsequent collisions with added gas molecules, it was possible to study V-V energy transfer processes which occur on a time scale less than or equal to gas kinetic. Relative cross sections for energy transfer from high vibrational levels were measured directly for the first time using visible - IR double resonance in a molecular beam - gas experiment. The process can be described by the general equation, C/sub 3/H/sub 2/O (v > 1) + M ..-->.. C/sub 3/H/sub 2/O (v = 1) + M + ..delta..E.

  13. Two Level Versus Matrix Converters Performance in Wind Energy Conversion Systems Employing DFIG

    NASA Astrophysics Data System (ADS)

    Reddy, Gongati Pandu Ranga; Kumar, M. Vijaya

    2017-05-01

    Wind power capacity has received enormous growth during past decades. With substantial development of wind power, it is expected to provide a fifth of world's electricity by the end of 2030. In wind energy conversion system, the power electronic converters play an important role. This paper presents the two level and matrix converters performance in wind energy conversion system employing Doubly Fed Induction Generator (DFIG). The DFIG is a wound rotor induction generator. Because of the advantages of the DFIG over other generators it is being used for most of the wind applications. This paper also discusses control of converters using the space vector pulse width modulation technique. The MATLAB/SIMULINK ® software is used to study the performance of the converters.

  14. S-matrix Calculations of Energy Levels of the Lithium Isoelectronic Sequence

    SciTech Connect

    sapirstein, J; Cheng, K T

    2010-11-02

    A QED approach to the calculation of the spectra of the lithium isoelectronic sequence is implemented. A modified Furry representation based on the Kohn-Sham potential is used to evaluate all one- and two-photon diagrams with the exception of the two-loop Lamb shift. Three-photon diagrams are estimated with Hamiltonian methods. After incorporating recent calculations of the two-loop Lamb shift and recoil corrections a comprehensive tabulation of the 2s, 2p{sub 1/2} and 2p{sub 3/2} energy levels as well as the 2s - 2p{sub 1/2} and 2s - 2p{sub 3/2} transition energies for Z = 10 - 100 is presented.

  15. Calculation of energy levels and transition amplitudes for barium and radium.

    SciTech Connect

    Dzuba, V. A.; Flambaum, V. V.; Physics; Univ. of New South Wales

    2007-01-01

    The radium atom is a promising system for studying parity and time invariance violating weak interactions. However, available experimental spectroscopic data for radium are insufficient for designing an optimal experimental setup. We calculate the energy levels and transition amplitudes for radium states of significant interest. Forty states corresponding to all possible configurations consisting of the 7s, 7p and 6d single-electron states as well as the states of the 7s8s, 7s8p and 7s7d configurations have been calculated. The energies of ten of these states corresponding to the 6d{sup 2}, 7s8s, 7p{sup 2} and 6d7p configurations are not known from experiment. Calculations for barium are used to control the accuracy.

  16. Lamb shift of non-degenerate energy level systems placed between two infinite parallel conducting plates

    NASA Astrophysics Data System (ADS)

    Billaud, B.; Truong, T.-T.

    2013-01-01

    In this paper, the Lamb shift in systems with non-degenerate energy levels, put in the electromagnetic environment provided by two infinite parallel conducting plates, is analyzed. An explicit formula giving the relative Lamb shift (as compared to the standard one in a vacuum) is derived for spherical semiconductor quantum dots (QDs), via a careful mathematical treatment of divergences in the calculations using the theory of distributions. This result settles a controversy between two different formulas existing in the current literature. Its sensitive dependence on the plates separation may be viewed as an indirect manifestation of the Lamb shift and may be used for the fine tuning of the QD non-degenerate energy spectrum in some experimental contexts.

  17. Fused Silica Final Optics for Inertial Fusion Energy: Radiation Studies and System-Level Analysis

    SciTech Connect

    Latkowski, Jeffery F.; Kubota, Alison; Caturla, Maria J.; Dixit, Sham N.; Speth, Joel A.; Payne, Stephen A.

    2003-06-15

    The survivability of the final optic, which must sit in the line of sight of high-energy neutrons and gamma rays, is a key issue for any laser-driven inertial fusion energy (IFE) concept. Previous work has concentrated on the use of reflective optics. Here, we introduce and analyze the use of a transmissive final optic for the IFE application. Our experimental work has been conducted at a range of doses and dose rates, including those comparable to the conditions at the IFE final optic. The experimental work, in conjunction with detailed analysis, suggests that a thin, fused silica Fresnel lens may be an attractive option when used at a wavelength of 351 nm. Our measurements and molecular dynamics simulations provide convincing evidence that the radiation damage, which leads to optical absorption, not only saturates but that a 'radiation annealing' effect is observed. A system-level description is provided, including Fresnel lens and phase plate designs.

  18. The Path to Fusion Energy for Concepts Currently at the Concept Exploration Level

    SciTech Connect

    Hooper, E B

    2003-01-09

    Concept Exploration (CE) experiments within the Innovative Confinement Concept Program have a unique role which impacts their contributions to the development of fusion energy. As stated in the FESAC ''Report on Alternate Concepts:'' These [CE] programs are aimed at innovation and basic understanding of relevant scientific phenomena. The emphasis on innovation motivates their application to the search for a better fusion reactor configuration. In addition, because of their unique character the CE experiments offer excellent opportunities to couple fusion-plasma physics to other sciences. A recent example of coupling is the fusion self-organized plasmas to reconnection physics and extra-terrestrial plasmas. Perhaps of even greater importance is the education of the future scientists needed for developing fusion energy. The CE experiments, both at universities and national labs, are of a size students can ''get their hands around;'' young scientists and engineers will be attracted by this intellectual challenge combined with the vision of low-pollution energy for mankind represented by a burning-plasma experiment. A CE concept showing promise for fusion energy is expected to advance to the Proof-of-Principal stage. Experience has shown that this progression may occur in several ways: NSTX followed from success in START, a CE-level experiment in England; NCSX built on a broad base of theory and a strong international stellarator data base, without a CE experiment to test quasi-axisymmetry; and MST is following an upgrade path from the CE experiment of the same name. The lesson to be learned is a highly positive one, namely that the portfolio approach--with its five stages of development--is being applied in a flexible and pragmatic manner without artificial constraints from strategic planning. This lesson also makes it clear that as we move towards the development of fusion energy we need to determine the best way forward for each promising configuration, taking

  19. Origin of the energy level alignment at organic/organic interfaces: The role of structural defects

    NASA Astrophysics Data System (ADS)

    Bussolotti, Fabio; Yang, Jinpeng; Hinderhofer, Alexander; Huang, Yuli; Chen, Wei; Kera, Satoshi; Wee, Andrew T. S.; Ueno, Nobuo

    2014-03-01

    In this paper, the electronic properties of as-deposited and N2-exposedCuPc/F16CuPc interface, a prototype system for organic photovoltaic applications, are investigated by using ultralow background, high-sensitivity photoemission spectroscopy. It is found that (i) N2 exposure significantly modifies the energy level alignment (ELA) at the interface between CuPc and F16CuPc layer and (ii) the direction of the N2-induced energy level shift of the CuPc depends on the position of the Fermi level (EF) in the CuPc highest occupied molecular orbital-lowest unoccupied molecular orbital gap of the as-deposited film. These observations are related to the changes in the density of gap states (DOGS) produced by structural imperfections in the molecular packing geometry, as introduced by the N2 penetration into the CuPc layer. This result demonstrates the key role of structure-induced DOGS in controlling the ELA at organic/organic interfaces.

  20. Energy Levels and Co-evolution of Product Innovation in Supply Chain Clusters

    NASA Astrophysics Data System (ADS)

    Ji, Guojun

    In the last decade supply chain clusters phenomenon has emerged as a new approach in product innovation studies. This article makes three contributions to the approach by addressing some open issues. The first contribution is to explicitly incorporate the energy levels in the analysis. Hence, the unit of analysis is widened from sectoral systems of innovation to socio-technical systems. Hence, the unit of analysis is widened from sectoral systems of innovation to socio-technical systems. The second contribution is to suggest an analytical distinction between different evolution method, actors involved in them, and the institutions which guide actor's perceptions and activities. Thirdly, the article opens up the black box of institutions, making them an integral part of supply chain. The article provides a coherent conceptual multi-level perspective, using insights from sociology, institutional theory and innovation studies. The perspective is particularly useful to analyze long-term dynamics supply chain clusters phenomenon, shifts from one energy level to another and the co-evolution of product innovation.

  1. Measurement of radiated electromagnetic field levels before and after a changeover to energy-efficient lighting.

    PubMed

    Kerr, L N; Boivin, W S; Boyd, S M; Coletta, J N

    2001-01-01

    An energy-efficient lighting retrofit at the Food and Drug Administration (FDA) Winchester Engineering and Analytical Center (WEAC) presented the opportunity to measure the electromagnetic (EM) environments in several rooms before and after changing the fluorescent lighting systems and to compare the changes in EM fields with the proposed standard EM immunity levels. Three rooms, representing the types of work areas in the laboratory, were selected and measured before and after the lighting changeover. Electric and magnetic field measurements were taken in the extremely low frequency (ELF), very low frequency (VLF), and radio frequency (RF) ranges of the EM spectrum. In 2 rooms, ELF electric fields were reduced and VLF and RF electric fields were increased as a result of the changeover to high-frequency fixtures. A third room received low-frequency, energy-efficient fixtures during this changeover, and this change resulted in only a slight increase of the ELF electric fields. The ELF magnetic fields were greatly reduced in 2 but only slightly reduced in the third room. No significant change was seen in VLF or RF magnetic fields for any of these rooms. Some field-strength measurements exceeded the proposed immunity levels recommended in the draft International Electrotechnical Commission standard IEC 60601-1-2 (rev. 2). The data show that increasing the separation distance from the fluorescent light fixtures greatly reduces the field-strength levels, limiting the potential for EM interference.

  2. The Spectrum of Thorium from 250 nm to 5500 nm: Ritz Wavelengths and Optimized Energy Levels

    NASA Astrophysics Data System (ADS)

    Redman, Stephen L.; Nave, Gillian; Sansonetti, Craig J.

    2014-03-01

    We have made precise observations of a thorium-argon hollow cathode lamp emission spectrum in the region between 350 nm and 1175 nm using a high-resolution Fourier transform spectrometer. Our measurements are combined with results from seven previously published thorium line lists to re-optimize the energy levels of neutral, singly, and doubly ionized thorium (Th I, Th II, and Th III). Using the optimized level values, we calculate accurate Ritz wavelengths for 19, 874 thorium lines between 250 nm and 5500 nm (40, 000 cm-1 to 1800 cm-1). We have also found 102 new thorium energy levels. A systematic analysis of previous measurements in light of our new results allows us to identify and propose corrections for systematic errors in Palmer & Engleman and typographical errors and incorrect classifications in Kerber et al. We also found a large scatter with respect to the thorium line list of Lovis & Pepe. We anticipate that our Ritz wavelengths will lead to improved measurement accuracy for current and future spectrographs that make use of thorium-argon or thorium-neon lamps as calibration standards.

  3. OsF6 energy levels and vibronic coupling in the (dt2g)2 configuration

    NASA Astrophysics Data System (ADS)

    Michalopoulos, D. L.; Bernstein, E. R.

    1982-02-01

    Electronic and vibronic energy levels of the (d sub 2 sub tg)-squared configuration of OsF6 are studied using electronic Raman scattering and absorption spectroscopy. The ground state has been identified as E sub g (crystal field split by approx. 28/cm) and the first excited state is T sub lg with crystal field energy levels at 14, 28 and 40/cm. The three other regions of the spectrum that were observed are at 4,000/cm, 8,000/cm, and 17,000/cm covering the remaining (d sub 2tg)-squared configuration levels. The 4,000/cm band consists of A sub lg and T sub lg electron states which do not interact strongly through vibronic coupling. The T sub lg electronic state evidences a strong approx. (D 2.2) linear Jahn Teller effect for Nu sub 5 and an observable Jahn Teller effect for Nu sub 2. The band at 8,000/cm consists of E sub g and T sub 2g electronic states; it is so complex and strongly coupled that little information can be extracted from the absorption data concerning the Jahn-Teller interaction in this 5-fold degenerate manifold. The feature at 17,000/cm is an A sub lg electronic state and its elucidation follows normal behavior found in other hexafluoride spectra.

  4. Energy-Efficient Crowdsensing of Human Mobility and Signal Levels in Cellular Networks

    PubMed Central

    Foremski, Paweł; Gorawski, Michał; Grochla, Krzysztof; Polys, Konrad

    2015-01-01

    The paper presents a practical application of the crowdsensing idea to measure human mobility and signal coverage in cellular networks. Currently, virtually everyone is carrying a mobile phone, which may be used as a sensor to gather research data by measuring, e.g., human mobility and radio signal levels. However, many users are unwilling to participate in crowdsensing experiments. This work begins with the analysis of the barriers for engaging people in crowdsensing. A survey showed that people who agree to participate in crowdsensing expect a minimum impact on their battery lifetime and phone usage habits. To address these requirements, this paper proposes an application for measuring the location and signal strength data based on energy-efficient GPS tracking, which allows one to perform the measurements of human mobility and radio signal levels with minimum energy utilization and without any engagement of the user. The method described combines measurements from the accelerometer with effective management of the GPS to monitor the user mobility with the decrease in battery lifetime by approximately 20%. To show the applicability of the proposed platform, the sample results of signal level distribution and coverage maps gathered for an LTE network and representing human mobility are shown. PMID:26340633

  5. THE SPECTRUM OF THORIUM FROM 250 nm TO 5500 nm: RITZ WAVELENGTHS AND OPTIMIZED ENERGY LEVELS

    SciTech Connect

    Redman, Stephen L.; Nave, Gillian; Sansonetti, Craig J.

    2014-03-01

    We have made precise observations of a thorium-argon hollow cathode lamp emission spectrum in the region between 350 nm and 1175 nm using a high-resolution Fourier transform spectrometer. Our measurements are combined with results from seven previously published thorium line lists to re-optimize the energy levels of neutral, singly, and doubly ionized thorium (Th I, Th II, and Th III). Using the optimized level values, we calculate accurate Ritz wavelengths for 19, 874 thorium lines between 250 nm and 5500 nm (40, 000 cm{sup –1} to 1800 cm{sup –1}). We have also found 102 new thorium energy levels. A systematic analysis of previous measurements in light of our new results allows us to identify and propose corrections for systematic errors in Palmer and Engleman and typographical errors and incorrect classifications in Kerber et al. We also found a large scatter with respect to the thorium line list of Lovis and Pepe. We anticipate that our Ritz wavelengths will lead to improved measurement accuracy for current and future spectrographs that make use of thorium-argon or thorium-neon lamps as calibration standards.

  6. Use of a Noise Optimized Monoenergetic Algorithm for Patient-Size Independent Selection of an Optimal Energy Level During Dual-Energy CT of the Pancreas.

    PubMed

    Bellini, Davide; Gupta, Sonia; Ramirez-Giraldo, Juan Carlos; Fu, Wanyi; Stinnett, Sandra S; Patel, Bhavik; Mileto, Achille; Marin, Daniele

    2017-01-01

    To investigate the impact of a second-generation noise-optimized monoenergetic algorithm on selection of the optimal energy level, image quality, and effect of patient body habitus for dual-energy multidetector computed tomography of the pancreas. Fifty-nine patients (38 men, 21 women) underwent dual-energy multidetector computed tomography (80/Sn140 kV) in the pancreatic parenchymal phase. Image data sets, at energy levels ranging from 40 to 80 keV (in 5-keV increments), were reconstructed using first-generation and second-generation noise-optimized monoenergetic algorithm. Noise, pancreatic contrast-to-noise ratio (CNRpancreas), and CNR with a noise constraint (CNRNC) were calculated and compared among the different reconstructed data sets. Qualitative assessment of image quality was performed by 3 readers. For all energy levels below 70 keV, noise was significantly lower (P ≤ 0.05) and CNRpancreas significantly higher (P < 0.001), with the second-generation monoenergetic algorithm. Furthermore, the second-generation algorithm was less susceptible to variability related to patient body habitus in the selection of the optimal energy level. The maximal CNRpancreas occurred at 40 keV in 98% (58 of 59) of patients with the second-generation monoenergetic algorithm. However, the CNRNC and readers' image quality scores showed that, even with a second-generation monoenergetic algorithm, higher reconstructed energy levels (60-65 keV) represented the optimal energy level. Second-generation noise-optimized monoenergetic algorithm can improve the image quality of lower-energy monoenergetic images of the pancreas, while decreasing the variability related to patient body habitus in selection of the optimal energy level.

  7. Dietary Curcumin Supplementation Counteracts Reduction in Levels of Molecules Involved in Energy Homeostasis after Brain Trauma

    PubMed Central

    Sharma, S.; Zhuang, Y.; Ying, Z.; Wu, A.; Gomez-Pinilla, F.

    2009-01-01

    Traumatic brain injury (TBI) is followed by an energy crisis that compromises the capacity of the brain to cope with challenges, and often reduces cognitive ability. New research indicates that events that regulate energy homeostasis crucially impact synaptic function and this can compromise the capacity of the brain to respond to challenges during the acute and chronic phases of TBI. The goal of the present study is to determine the influence of the phenolic yellow curry pigment curcumin on molecular systems involved with the monitoring, balance, and transduction of cellular energy, in the hippocampus of animals exposed to mild fluid percussion injury (FPI). Young adult rats were exposed to a regular diet (RD) without or with 500 ppm curcumin (Cur) for four weeks, before an FPI was performed. The rats were assigned to four groups: RD/Sham, Cur/Sham, RD/FPI, and Cur/FPI. We found that FPI decreased the levels of AMP-activated protein kinase (AMPK), ubiquitous mitochondrial creatine kinase (uMtCK) and cytochrome c oxidase II (COX-II) in RD/FPI rats as compared to the RD/sham rats. The curcumin diet counteracted the effects of FPI and elevated the levels of AMPK, uMtCK, COX-II in Cur/FPI rats as compared to RD/sham rats. In addition, in the Cur/sham rats, AMPK and uMtCK increased compared to the RD/sham. Results show the potential of curcumin to regulate molecules involved in energy homeostasis following TBI. These studies may foster a new line of therapeutic treatments for TBI patients by endogenous upregulation of molecules important for functional recovery. PMID:19393301

  8. Limits to prediction of energy balance from milk composition measures at individual cow level.

    PubMed

    Løvendahl, P; Ridder, C; Friggens, N C

    2010-05-01

    Frequently updated energy balance (EB) estimates for individual cows are especially useful for dairy herd management, and individual-level estimates form the basis for group-level EB estimates. The accuracy of EB estimates determines the value of this information for management decision support. This study aimed to assess EB accuracy through ANOVA components and by comparing EB estimates based either on milk composition (EBalMilk) or on body condition score (BCS) and body weight (BW) (EBalBody). Energy balance based on milk composition was evaluated using data in which milk composition was measured at each milking. Three breeds (Danish Red, Holstein-Friesian, and Jersey) of cows (299 cows, 623 lactations) in parities 1 to 4 were used. Milk data were smoothed using a rolling local regression. Energy balance based on milk composition was calculated using a partial least squares (PLS) model based on milk fat, protein, and lactose contents and yields, and the daily change in these variables at each day. Energy balance based on BCS and BW was calculated from changes in body condition and BW scored weekly or fortnightly. Equations for calculation of EBalMilk and EBalBody used no common variables and were, therefore, assumed mathematically independent. Traits were analyzed within 3 stages of lactation expected to have high mobilization of body tissue (1, early), almost balanced (2), and deposition of body energy (3, mid to late lactation). In general, EBalMilk and EBalBody followed similar expected changes through lactation. Estimates of covariance were obtained using single-trait mixed models with random regression terms describing the change with time and used for calculation of repeatability as intraclass correlations. Within stage, EBalMilk was less repeatable than EBalBody (0.53, 0.41, 0.43 vs. 0.93, 0.91, 0.86, respectively, for stages 1, 2, and 3), mainly because of a larger residual variance for EBalMilk. Correlations between individual-level estimates of EBal

  9. Modelling energy level alignment at organic interfaces and density functional theory.

    PubMed

    Flores, F; Ortega, J; Vázquez, H

    2009-10-21

    A review of our theoretical understanding of the band alignment at organic interfaces is presented with particular emphasis on the metal/organic (MO) case. The unified IDIS (induced density of interface states) and the ICT (integer charge transfer) models are reviewed and shown to describe qualitatively and semiquantitatively the barrier height formation at those interfaces. The IDIS model, governed by the organic CNL (charge neutrality level) and the interface screening includes: (a) charge transfer across the interface; (b) the "pillow" (or Pauli) effect associated with the compression of the metal wavefunction tails; and (c) the molecular dipoles. We argue that the ICT-model can be described as a limiting case of the unified IDIS-model for weak interface screening. For a fully quantitative understanding of the band alignment at organic interfaces, use of DFT (density functional theory) or quantum chemistry methods is highly desirable. In this Perspective review, we concentrate our discussion on DFT and show that conventional LDA or GGA calculations are limited by the "energy gap problem of the organic materials", because the LDA (or GGA) Kohn-Sham energy levels have to be corrected by the self-interaction energy of the corresponding wavefunction, to provide the appropriate molecule transport energy gap. Image potential and polarization effects at MO interfaces tend to cancel these self-interaction corrections; in particular, we show that for organic molecules lying flat on Cu and Ag, these cancellations are so strong that we can rely on conventional DFT to calculate their interface properties. For Au, however, the cancellations are weaker making it necessary to go beyond conventional DFT. We discuss several alternatives beyond conventional LDA or GGA. The most accurate approach is the well-known GW-technique, but its use is limited by its high demanding computer time. In a very simple approach one can combine conventional DFT with a "scissor" operator which

  10. City-Level Energy Decision Making: Data Use in Energy Planning, Implementation, and Evaluation in U.S. Cities

    SciTech Connect

    Aznar, Alexandra; Day, Megan; Doris, Elizabeth; Mathur, Shivani; Donohoo-Vallett, Paul

    2015-07-01

    The report analyzes and presents information learned from a sample of 20 cities across the United States, from New York City to Park City, Utah, including a diverse sample of population size, utility type, region, annual greenhouse gas reduction targets, vehicle use, and median household income. The report compares climate, sustainability, and energy plans to better understand where cities are taking energy-related actions and how they are measuring impacts. Some common energy-related goals focus on reducing city-wide carbon emissions, improving energy efficiency across sectors, increasing renewable energy, and increasing biking and walking.

  11. The energy expenditure of non-weight bearing crutch walking on the level and ascending stairs.

    PubMed

    Moran, Jonathan; Murphy, Alexandra; Murphy, David; Austin, Andy; Moran, Danielle; Cronin, Caitriona; Guinan, Emer; Hussey, Juliette

    2015-06-01

    Crutches are commonly prescribed to patients with lower limb dysfunction during rehabilitation to assist with mobility. The aim of this study was to determine the energy expenditure for non-weight bearing crutch walking on level ground and ascending stairs at a self selected speed in a healthy adult population. Thirty-one healthy male and female adults (mean±SD: age 21.6±1.2 years; height 170.8±10.8 cm; weight 70.8±11.4 kg) mobilised non-weight bearing with elbow crutches along a 30 m corridor and (with one crutch) up a flight of 13 stairs. Energy expenditure for each activity was measured by indirect calorimetry using the COSMED K4b(2) portable ergospirometry system. The established VO2 values were 16.4ml/kg/min for crutch walking on level ground and 17.85 ml/kg/min for stair climbing. Non-weight bearing crutch walking at a self selected speed on the level ground and up a flight of stairs resulted in a MET value of 4.57 and 5.06 respectively. The mean heart rate (HR) for crutch walking along the flat was 117.06±20.54 beats per minute (bpm), while the mean HR for ambulating upstairs with crutches was 113.91±19.32 bpm. The increased energy demands of non-weight bearing crutch walking should be considered by physical therapists when instructing patients on crutch use. Further investigation to determine the implications of these results in populations with chronic disease is warranted. Copyright © 2014 Elsevier B.V. All rights reserved.

  12. Experimental Energy Levels of HD18O and D_218O

    NASA Astrophysics Data System (ADS)

    Mikhailenko, S. N.; Naumenko, O. V.; Tashkun, S. A.; Liu, A.-W.; Hu, S.-M.

    2010-06-01

    Extended sets of experimental energy levels of HD18O and D_218O have been obtained as the result of the analysis of recent high-resolution spectra and previously reported data. Spectra of the enriched by deuterium and oxygen-18 water samples were recorded with a Bruker IFS 120HR spectrometer at room temperature in the 1000 - 9200 cm-1 range a,b for this purpose. The RITZ code h was used for analysis of the rotation-vibration transitions and the energy levels determination. New energy levels as well as comparison with previous experimental and theoretical studies will be presented. This work was supported by Grant nos. 06-03-39014 and 10-05-91176 of RFBR (Russia) and by Grant nos. 20903085 and 10574124 of NSFC (China). Work of SNM and SAT was also partly supported by CRDF (USA) Grant RUG1-2954-TO-09 and by RFBR. Grant 09-05-92508. A.-W. Liu et al., J. Mol. Spectrosc. 237, 149-162 (2006). H.-Y. Ni et al., Mol. Phys. 106, 1793-1801 (2008). J. Bellet et al., J. Mol. Spectrosc. 47, 388-402 (1973). J.W.C. Johns, J. Opt. Soc. Am. B2, 1340-1354 (1985). R.A. Toth, J. Mol. Spectrosc. 162, 41-54 (1993). W.F. Wang et al., J. Mol. Spectrosc. 176, 226-228 (1996). R.A. Toth, J. Mol. Structure, 742, 49-68 (2005). S.N. Mikhailenko et al., JQSRT, 110, 597-608 (2009). A. Liu et al., JQSRT, 110, 1781-1800 (2009). O.V. Naumenko et al., JQSRT, 111, 36-44 (2010).

  13. Potential energy and vibrational levels for local modes in water and acetylene

    NASA Astrophysics Data System (ADS)

    Wright, James S.; Donaldson, D. J.

    1985-03-01

    MRD Cl calculations are given for the potential energy along local X-H streching modes in water and acetylene, out to near dissolution. The Cl data points are accurately fitted by Morse functions up to half the well depth, but generalized (five-parameter) Morse functions are required to fit the whole range of data. The implications for the traetment of vibrational overtone levels are discussed, including a comparison of several treatments. Agreement with experimentally derived mode spectra is good, as is the agreement with bond distances and thermochemistry.

  14. Impact of Oxygen Vacancy on Energy-Level Alignment at MoOx/Organic Interfaces

    NASA Astrophysics Data System (ADS)

    Zhang, Zheng; Xiao, Yan; Wei, Huai-Xin; Ma, Guo-Fu; Duhm, Steffen; Li, Yan-Qing; Tang, Jian-Xin

    2013-09-01

    Oxygen vacancies in MoOx play an essential role in interface energetics for charge injection and transport in organic devices. The influence of oxygen vacancy on energy-level alignment at the interface between MoOx and organic hole-transport layers is studied via photoemission spectroscopy. The degree of oxygen vacancies in MoOx is controlled by thermal annealing, which results in the partial reduction of Mo cations and a decrease in their work function. The hole-injection barrier at MoOx/organic interfaces increases as a consequence of the increase in oxygen deficiency.

  15. Photoinduced structuring and energy migration in ensembles of three-level centers upon saturation

    SciTech Connect

    Asenchik, O.D.; Mogil`nyi, V.V.

    1995-11-01

    The saturation process is considered in ensembles of three-level absorbing centers between which nonradiative energy transfer occurs. Equations are obtained describing photoinduced stationary pair correlations in the arrangement of centers in different states. The equations are used for studies of space-disordered and translational-invariant ensembles. The tendency for space structuring in the form of separation of compact groups of centers in the ground state is found. The effect of material diffusion on this process is considered. 11 refs., 2 figs.

  16. Electron Energy Levels in a Quantum Well within an In-Plane Magnetic Field

    DTIC Science & Technology

    1989-06-01

    papers in theory [6-91 as well as in experiment[10-12] which study the effect of in-plane magnetic fields on two-dimensional systems. Recently Klama(8... Field by0) O H. R. Lee, H. G. Oh, Thomas F. George and C. I. Um N S Prepared for Publication O in S Journal of Applied Physics Departments of Chemistry...Arlington, Virginia 22217 11. TITLE (Include Security Classification) Electron Energy Levels in a Quantum Well Within an In-Plane Magnetic Field 12

  17. Transparent Conducting Oxides for Photovoltaics: Manipulation of Fermi Level, Work Function and Energy Band Alignment

    PubMed Central

    Klein, Andreas; Körber, Christoph; Wachau, André; Säuberlich, Frank; Gassenbauer, Yvonne; Harvey, Steven P.; Proffit, Diana E.; Mason, Thomas O.

    2010-01-01

    Doping limits, band gaps, work functions and energy band alignments of undoped and donor-doped transparent conducting oxides ZnO, In2O3, and SnO2 as accessed by X-ray and ultraviolet photoelectron spectroscopy (XPS/UPS) are summarized and compared. The presented collection provides an extensive data set of technologically relevant electronic properties of photovoltaic transparent electrode materials and illustrates how these relate to the underlying defect chemistry, the dependence of surface dipoles on crystallographic orientation and/or surface termination, and Fermi level pinning. PMID:28883359

  18. Corrections to the energy levels of a spin-zero particle bound in a strong field

    SciTech Connect

    Lee, R. N.; Milstein, A. I.; Karshenboim, S. G.

    2006-01-15

    Formulas for the corrections to the energy levels and wave functions of a spin-zero particle bound in a strong field are derived. The general case of the sum of a Lorentz-scalar potential and zero component of a Lorentz-vector potential is considered. The forms of the corrections differ essentially from those for spin-(1/2) particles. As an example of application of our results, we evaluated the electric polarizability of a ground state of a spin-zero particle bound in a strong Coulomb field.

  19. Electrochemical considerations for determining absolute frontier orbital energy levels of conjugated polymers for solar cell applications.

    PubMed

    Cardona, Claudia M; Li, Wei; Kaifer, Angel E; Stockdale, David; Bazan, Guillermo C

    2011-05-24

    Narrow bandgap conjugated polymers in combination with fullerene acceptors are under intense investigation in the field of organic photovoltaics (OPVs). The open circuit voltage, and thereby the power conversion efficiency, of the devices is related to the offset of the frontier orbital energy levels of the donor and acceptor components, which are widely determined by cyclic voltammetry. Inconsistencies have appeared in the use of the ferrocenium/ferrocene (Fc + /Fc) redox couple, as well as the values used for the absolute potentials of standard electrodes, which can complicate the comparison of materials properties and determination of structure/property relationships.

  20. Energy levels and lifetimes of Nd IV, Pm IV, Sm IV, and Eu IV

    SciTech Connect

    Dzuba, V. A.; Safronova, U. I.; Johnson, W. R.

    2003-09-01

    To address the shortage of experimental data for electron spectra of triply ionized rare-earth elements we have calculated energy levels and lifetimes of 4f{sup n+1} and 4f{sup n}5d configurations of Nd IV (n=2), Pm IV (n=3), Sm IV (n=4), and Eu IV (n=5) using Hartree-Fock and configuration-interaction methods. To control the accuracy of our calculations we also performed similar calculations for Pr III, Nd III, and Sm III, for which experimental data are available. The results are important, in particular, for physics of magnetic garnets.

  1. Diagrammatic treatment of coherent backscattering of intense light by cold atoms with degenerate energy levels

    NASA Astrophysics Data System (ADS)

    Shatokhin, V. N.; Blattmann, R.; Wellens, T.; Buchleitner, A.

    2014-08-01

    We present a generalization of the diagrammatic pump-probe approach to coherent backscattering (CBS) of intense laser light for atoms with degenerate energy levels. We employ this approach for a characterization of the double-scattering signal from optically pumped atoms with the transition Jg→Je=Jg+1 in the helicity-preserving polarization channel. We show that, in the saturation regime, the internal degeneracy becomes manifest for atoms with Jg≥1, leading to a faster decrease of the CBS enhancement factor with increasing saturation parameter than in the nondegenerate case.

  2. District Level Plan for Conservation. An Outline for a District-Level Plan for Energy Conservation. Energy Conservation Materials Package Number 2.

    ERIC Educational Resources Information Center

    Colorado State Dept. of Education, Denver. Interstate Energy Conservation Leadership.

    Features shared by successful school energy conservation programs include: (1) the formation of a district energy conservation committee that involves as many segments of the educational community as practical, (2) the assignment of specific responsibilities to specific individuals, (3) careful planning in the development of guidelines, (4)…

  3. District Level Plan for Conservation. An Outline for a District-Level Plan for Energy Conservation. Energy Conservation Materials Package Number 2.

    ERIC Educational Resources Information Center

    Colorado State Dept. of Education, Denver. Interstate Energy Conservation Leadership.

    Features shared by successful school energy conservation programs include: (1) the formation of a district energy conservation committee that involves as many segments of the educational community as practical, (2) the assignment of specific responsibilities to specific individuals, (3) careful planning in the development of guidelines, (4)…

  4. Shell energy and the level-density parameter of hot nuclei

    SciTech Connect

    Nerlo-Pomorska, Bozena; Pomorski, Krzysztof; Bartel, Johann

    2006-09-15

    Macroscopic-microscopic calculations have been performed with the Yukawa folded mean field for 134 spherical even-even nuclei and 6 deformed ones at temperatures 0{<=}T{<=}5 MeV and elongations ranging from oblate shapes to the scission configuration of fissioning nuclei. The Strutinsky type free-energy shell corrections for this sample of nuclei and their temperature and deformation dependence are found by a folding procedure in particle-number space. The average dependence of the single-particle level-density parameter on mass number A and isospin I is determined and compared with previous estimates obtained using the relativistic mean-field theory, the Hartree-Fock approximation with the Skyrme effective interaction, and the phenomenological Thomas-Fermi approach adjusted to experimental data. The estimates for the level-density parameter obtained for different deformations are fitted by a liquid-drop type expression.

  5. Four kingdoms on glacier ice: convergent energetic processes boost energy levels as temperatures fall.

    PubMed Central

    Napolitano, Michael J; Shain, Daniel H

    2004-01-01

    A diverse group of glacially obligate organisms coexist on temperate glaciers between Washington State and Alaska. A fundamental challenge for these and other cold-adapted species is the necessity to maintain an energy flux capable of sustaining life at low physiological temperatures. We show here that ice-adapted psychrophiles from four kingdoms (Animalia, Eubacteria, Fungi, Protista) respond to temperature fluctuations in a similar manner; namely, ATP levels and the total adenylate pool increase as temperatures fall (within their viable temperature limits, respectively), yet growth rate increases with temperature. By contrast, mesophilic representatives of each kingdom respond in an opposite manner (i.e. adenylates increase with temperature). These observations suggest that elevated adenylate levels in psychrophiles may offset inherent reductions in molecular diffusion at low physiological temperatures. PMID:15503992

  6. Source and level of energy supplementation for yearling cattle fed ammoniated hay.

    PubMed

    Royes, J B; Brown, W F; Martin, F G; Bates, D B

    2001-05-01

    Brahman x British crossbred steers were used in growth and digestion trials to evaluate the response of source (corn, sugar cane molasses, or soybean hulls) and feeding rate (0, 1.4, or 2.8 kg DM per steer daily in the growth trials; 0, 15, or 30% of the ration DM in the digestion trial) of energy supplementation in cattle fed ammoniated (4% of forage DM) stargrass (Cynodon nlemfuensis Vanderyst var. nlemfuensis) hay. Cattle on all treatments were fed 0.5 kg cottonseed meal daily. In the growth trials, steers grazed dormant bahiagrass (Paspalum notatum) pasture. Increasing the levels of supplementation decreased hay intake but increased total dietary intake for all diets (P < 0.07). Daily gain and feed efficiency of steers were improved (P < 0.03) with supplementation. Steers supplemented with corn or soybean hulls at 2.8 kg DM/d had a higher ADG (0.92 kg) and gain/feed (0.103) than steers supplemented with molasses (0.78 kg, 0.08, respectively) at the same level. Seven crossbred steers (200 kg) were used in a five-period digestion trial to evaluate apparent OM, NDF, ADF, and hemicellulose digestibility. Apparent OM digestibility of all diets increased linearly (P = 0.02) as the level of supplementation increased. Apparent NDF and ADF digestibility decreased (P < 0.03) as the level of supplementation with corn or molasses increased, whereas increasing the level of soybean hulls in the diet increased (P < 0.06) apparent NDF and ADF digestibility. Four ruminally fistulated crossbred steers (472 kg) were used in a 4 x 4 latin square design to investigate ruminal characteristics with energy supplementation at 30% of ration DM. Ruminal pH in steers supplemented with soybean hulls or corn declined after feeding. Ruminal pH decreased more rapidly with corn supplementation and remained below 6.2 for a longer period of time than with the other diets. Ruminal pH did not change within 24 h after feeding for steers fed the control or molasses diets. No change in total VFA

  7. Dual-Energy Computed Tomography Arthrography of the Shoulder Joint Using Virtual Monochromatic Spectral Imaging: Optimal Dose of Contrast Agent and Monochromatic Energy Level

    PubMed Central

    An, Chansik; Chun, Yong-Min; Kim, Sungjun; Lee, Young Han; Yun, Min Jeong; Suh, Jin-Suck

    2014-01-01

    Objective To optimize the dose of contrast agent and the level of energy for dual-energy computed tomography (DECT) arthrography of the shoulder joint and to evaluate the benefits of the optimized imaging protocol. Materials and Methods Dual-energy scans with monochromatic spectral imaging mode and conventional single energy scans were performed on a shoulder phantom with 10 concentrations from 0 to 210 mg/mL of iodinated contrast medium at intervals of 15 or 30 mg/mL. Image noise, tissue contrast, and beam hardening artifacts were assessed to determine the optimum dose of contrast agent and the level of monochromatic energy for DECT shoulder arthrography in terms of the lowest image noise and the least beam hardening artifacts while good tissue contrast was maintained. Material decomposition (MD) imaging for bone-iodine differentiation was qualitatively assessed. The optimized protocol was applied and evaluated in 23 patients. Results The optimal contrast dose and energy level were determined by the phantom study at 60 mg/mL and 72 keV, respectively. This optimized protocol for human study reduced the image noise and the beam-hardening artifacts by 35.9% and 44.5%, respectively. Bone-iodine differentiation by MD imaging was not affected by the iodine concentration or level of energy. Conclusion Dual-energy scan with monochromatic spectral imaging mode results in reduced image noise and beam hardening artifacts. PMID:25469086

  8. Electronic Characterization of Defects in Narrow Gap Semiconductors-Comparison of Electronic Energy Levels and Formation Energies in Mercury Cadmium Telluride, Mercury Zinc Telluride, and Mercury Zinc Selenide

    NASA Technical Reports Server (NTRS)

    Patterson, James D.

    1996-01-01

    We have used a Green's function technique to calculate the energy levels and formation energy of deep defects in the narrow gap semiconductors mercury cadmium telluride (MCT), mercury zinc telluride (MZT) and mercury zinc selenide (MZS). The formation energy is calculated from the difference between the total energy with an impurity cluster and the total energy for the perfect crystal. Substitutional (including antisite), interstitial (self and foreign), and vacancy deep defects are considered. Relaxation effects are calculated (with molecular dynamics). By use of a pseudopotential, we generalize the ideal vacancy model so as to be able to consider relaxation for vacancies. Different charge states are considered and the charged state energy shift (as computed by a modified Haldane-Anderson model) can be twice that due to relaxation. Different charged states for vacancies were not calculated to have much effect on the formation energy. For all cases we find deep defects in the energy gap only for cation site s-like orbitals or anion site p-like orbitals, and for the substitutional case only the latter are appreciably effected by relaxation. For most cases for MCT, MZT, MZS, we consider x (the concentration of Cd or Zn) in the range appropriate for a band gap of 0.1 eV. For defect energy levels, the absolute accuracy of our results is limited, but the precision is good, and hence chemical trends are accurately predicted. For the same reason, defect formation energies are more accurately predicted than energy level position. We attempt, in Appendix B, to calculate vacancy formation energies using relatively simple chemical bonding ideas due to Harrison. However, these results are only marginally accurate for estimating vacancy binding energies. Appendix C lists all written reports and publications produced for the grant. We include abstracts and a complete paper that summarizes our work which is not yet available.

  9. Optimal Monochromatic Energy Levels in Spectral CT Pulmonary Angiography for the Evaluation of Pulmonary Embolism

    PubMed Central

    Wu, Huawei; Zhang, Qing; Hua, Jia; Hua, Xiaolan; Xu, Jianrong

    2013-01-01

    Background The aim of this study was to determine the optimal monochromatic spectral CT pulmonary angiography (sCTPA) levels to obtain the highest image quality and diagnostic confidence for pulmonary embolism detection. Methods The Institutional Review Board of the Shanghai Jiao Tong University School of Medicine approved this study, and written informed consent was obtained from all participating patients. Seventy-two patients with pulmonary embolism were scanned with spectral CT mode in the arterial phase. One hundred and one sets of virtual monochromatic spectral (VMS) images were generated ranging from 40 keV to 140 keV. Image noise, clot diameter and clot to artery contrast-to-noise ratio (CNR) from seven sets of VMS images at selected monochromatic levels in sCTPA were measured and compared. Subjective image quality and diagnostic confidence for these images were also assessed and compared. Data were analyzed by paired t test and Wilcoxon rank sum test. Results The lowest noise and the highest image quality score for the VMS images were obtained at 65 keV. The VMS images at 65 keV also had the second highest CNR value behind that of 50 keV VMS images. There was no difference in the mean noise and CNR between the 65 keV and 70 keV VMS images. The apparent clot diameter correlated with the keV levels. Conclusions The optimal energy level for detecting pulmonary embolism using dual-energy spectral CT pulmonary angiography was 65–70 keV. Virtual monochromatic spectral images at approximately 65–70 keV yielded the lowest image noise, high CNR and highest diagnostic confidence for the detection of pulmonary embolism. PMID:23667583

  10. Luminescent properties and energy level structure of CaZnOS:Eu2+

    NASA Astrophysics Data System (ADS)

    Budde, B.; Luo, H.; Dorenbos, P.; van der Kolk, E.

    2017-07-01

    In this work it is shown that CaZnOS:Eu2+ has no Eu2+ emission even at low temperature. The observed and earlier reported red emission originates from a CaS:Eu2+ impurity phase. By means of washing the as-prepared samples with diluted nitride acid, we were able to remove the CaS impurity phase and study the Eu2+ emission in the pure CaZnOS phase. A clear relation was found between the red emission intensity, the CaS XRD line intensities and the nitric acid solution washing time, with zero intensity after prolonged washing. A so-called VRBE (vacuum referred binding energy)-diagram was constructed showing the energy of the 4fn and 4fn-15d1 states of the divalent and trivalent rare earth ions as dopants in CaZnOS with respect to the vacuum energy. This diagram shows that the 5d-levels of Eu2+ are located in the conduction band, which explains the absence of 5d→4f emission. By comparing the VRBE diagram with diagrams of other related compounds like CaO, CaS, ZnO and ZnS it becomes clear that the Eu2+ luminescence quenching is caused by a low lying conduction band, typical for Zn-based compounds.

  11. Correlation, Breit and Quantum Electrodynamics effects on energy level and transition properties of W54+ ion

    NASA Astrophysics Data System (ADS)

    Ding, Xiaobin; Sun, Rui; Koike, Fumihiro; Kato, Daiji; Murakami, Izumi; Sakaue, Hiroyuki A.; Dong, Chenzhong

    2017-03-01

    The electron correlation effects and Breit interaction as well as Quantum Electro-Dynamics (QED) effects were expected to have important contribution to the energy level and transition properties of heavy highly charged ions. The ground states [Ne]3s23p63d2 and first excited states [Ne]3s23p53d3 of W54+ ion have been studied by using Multi-Configuration Dirac-Fock method with the implementation of Grasp2K package. A restricted active space method was employed to investigate the correlation contribution from different models. The Breit interaction and QED effects were taken into account in the relativistic configuration interaction calculation with the converged wavefunction. It is found that the correlation contribution from 3s and 3p orbital have important contribution to the energy level, transition wavelength and probability of the ground and the first excited state of W54+ ion. Contribution to the Topical Issue "Atomic and Molecular Data and their Applications", edited by Gordon W.F. Drake, Jung-Sik Yoon, Daiji Kato, Grzegorz Karwasz.

  12. A system-level cost-of-energy wind farm layout optimization with landowner modeling

    SciTech Connect

    Chen, Le; MacDonald, Erin

    2013-10-01

    This work applies an enhanced levelized wind farm cost model, including landowner remittance fees, to determine optimal turbine placements under three landowner participation scenarios and two land-plot shapes. Instead of assuming a continuous piece of land is available for the wind farm construction, as in most layout optimizations, the problem formulation represents landowner participation scenarios as a binary string variable, along with the number of turbines. The cost parameters and model are a combination of models from the National Renewable Energy Laboratory (NREL), Lawrence Berkeley National Laboratory, and Windustiy. The system-level cost-of-energy (COE) optimization model is also tested under two land-plot shapes: equally-sized square land plots and unequal rectangle land plots. The optimal COEs results are compared to actual COE data and found to be realistic. The results show that landowner remittances account for approximately 10% of farm operating costs across all cases. Irregular land-plot shapes are easily handled by the model. We find that larger land plots do not necessarily receive higher remittance fees. The model can help site developers identify the most crucial land plots for project success and the optimal positions of turbines, with realistic estimates of costs and profitability. (C) 2013 Elsevier Ltd. All rights reserved.

  13. Reducing Benzene and Cresol Levels in National Renewable Energy Laboratory's Pilot-Scale Biorefinergy Scrubber Water

    SciTech Connect

    Buzek, M.L.; Phillips, S.

    2004-01-01

    The Thermochemical Process Development Unit at the National Renewable Energy Laboratory converts biomass into energy by gasification or pyrolysis. The aqueous effluent generated in these processes must be disposed of as hazardous waste according to the Resource Conservation and Recovery Act because certain components exceed the regulatory concentration limit. Gas stripping of the scrubber water was investigated as a method of reducing benzene and cresol levels. A custom-designed packed-bed column was built and a half-factorial experimental design was implemented to determine the effects of gas flow rate, liquid flow rate, and column packing height on the final benzene concentration in the liquid. The experimental results show that packing height had a significant effect on final benzene concentration; gas flow rate and liquid flow rate had little effect. The effects of each design variable on final cresol concentration were not determined. Although the current column design did significantly reduce the benzene and cresol levels in the scrubber water, it did not reduce the concentrations below the regulatory limits. A full-factorial experimental design will be implemented with an increased packing height. Other variables, including column diameter and packing type, will be investigated to determine their effects on final benzene and cresol concentrations. Once the packed-bed column is determined to be effective in reducing contaminant concentrations below the regulatory limit, photocatalytic oxidation will be explored for remediating the benzene and cresol from the gas stream.

  14. Ab initio Determination of Formation Energies and Charge Transfer Levels of Charged Ions in Water

    NASA Astrophysics Data System (ADS)

    Vatti, Anoop Kishore; Todorova, Mira; Neugebauer, Joerg

    The ability to describe the complex atomic and electronic structure of liquid water and hydrated ions on a microscopic level is a key requirement to understand and simulate electro-chemical and biological processes. Identifying theoretical concepts which enable us to achieve an accurate description in a computationally efficient way is thereby of central importance. Aiming to unravel the importance and influence of different contributions on the hydration energy of ions we perform extensive ab-initio molecular dynamics simulations for charged and neutral cations (Zn, Mg) and anions (Cl, Br, I) in water. The structural correlations and electronic properties of the studied ions are analysed and compared to experimental observations. Following an approach inspired by the defect chemistry in semiconductors and aligning the water band edges on an absolute scale allows us to benchmark the calculated formation energies, identify transition states and compare the results to experiment. Based on these results we discuss the performance of various DFT xc-functionals to predict charge transfer levels and photo-emission experiments.

  15. A comprehensive and unified picture of energy level alignment at interfaces with organic semiconductors

    NASA Astrophysics Data System (ADS)

    Akaike, Kouki; Oehzelt, Martin; Heimel, Georg; Koch, Norbert

    2016-09-01

    Controlling the energy level alignment at the ubiquitous interfaces in modern organic light emitting diodes, i.e., organic/electrode and organic/organic, is mandatory for achieving highest performance. While for some interfaces the understanding has matured over the past years - often with the help of photoelectron spectroscopy investigations, a lack of material-overarching and general models seems to persist. In this context, it is interesting to note that photoelectron experiments reported by different groups often returned a different level alignment for a given interface, which certainly should be unsettling for device engineers. It turns out that Fermi-level pinning and its consequences for charge density re-distribution across a device stack is an overarching mechanism that should always be considered. For intrinsic organic heterojunctions of materials with moderate acceptor/donor character the electrostatic potential across the interface changes only marginally - if at all. This situation, however, can be significantly altered when at least one of the two semiconductors is Fermi-level pinned by the "effective work function" of the other one, which is established by the contact to the electrode. Consequently, device engineering has to fully take into account the effect of adding the electrodes to a device stack, otherwise correlations between assumed electronic structure and device performance remain uncertain.

  16. First-principles calculation of electronic energy level alignment at electrochemical interfaces

    NASA Astrophysics Data System (ADS)

    Azar, Yavar T.; Payami, Mahmoud

    2017-08-01

    Energy level alignment at solid-solvent interfaces is an important step in determining the properties of electrochemical systems. The positions of conduction and valence band edges of a semiconductor are affected by its environment. In this study, using first-principles DFT calculation, we have determined the level shifts of the semiconductors TiO2 and ZnO at the interfaces with MeCN and DMF solvent molecules. The level shifts of semiconductor are obtained using the potential difference between the clean and exposed surfaces of asymmetric slabs. In this work, neglecting the effects of present ions in the electrolyte solution, we have shown that the solvent molecules give rise to an up-shift for the levels, and the amount of this shift varies with coverage. It is also shown that the shapes of density of states do not change sensibly near the gap. Molecular dynamics simulations of the interface have shown that at room temperatures the semiconductor surface is not fully covered by the solvent molecules, and one must use intermediate values in an static calculations.

  17. Dynamical image-charge effect in molecular tunnel junctions: Beyond energy level alignment

    NASA Astrophysics Data System (ADS)

    Jin, Chengjun; Thygesen, Kristian S.

    2014-01-01

    When an electron tunnels between two metal contacts it temporarily induces an image charge (IC) in the electrodes which acts back on the tunneling electron. It is usually assumed that the IC forms instantaneously such that a static model for the image potential applies. Here we investigate how the finite IC formation time affects charge transport through a molecule suspended between two electrodes. For a single-level model, an analytical treatment shows that the conductance is suppressed by a factor Z2, where Z is the quasiparticle renormalization factor, compared to the static IC approximation. We show that Z can be expressed either in terms of the plasma frequency of the electrode or as the overlap between electrode wave functions corresponding to an empty and filled level, respectively. First-principles GW calculations for benzene-diamine connected to gold electrodes show that the dynamical corrections can reduce the conductance by more than a factor of two when compared to static GW or density functional theory where the molecular energy levels have been shifted to match the exact quasiparticle levels.

  18. Delta oscillations induced by ketamine increase energy levels in sleep-wake related brain regions.

    PubMed

    Dworak, M; McCarley, R W; Kim, T; Basheer, R

    2011-12-01

    Neuronal signaling consumes much of the brain energy, mainly through the restoration of the membrane potential (MP) by ATP-consuming ionic pumps. We have reported that, compared with waking, ATP levels increase during the initial hours of natural slow-wave sleep, a time with prominent electroencephalogram (EEG) delta oscillations (0.5-4.5 Hz). We have hypothesized that there is a delta oscillation-ATP increase coupling, since, during delta waves, neurons exhibit a prolonged hyperpolarizing phase followed by a very brief phase of action potentials. However, direct proof of this hypothesis is lacking, and rapid changes in EEG/neuronal activity preclude measurement in the naturally sleeping brain. Thus, to induce a uniform state with pure delta oscillations and one previously shown to be accompanied by a similar pattern of neuronal activity during delta waves as natural sleep, we used ketamine-xylazine treatment in rats. We here report that, with this treatment, the high-energy molecules ATP and ADP increased in frontal and cingulate cortices, basal forebrain, and hippocampus compared with spontaneous waking. Moreover, the degree of ATP increase positively and significantly correlated with the degree of EEG delta activity. Supporting the hypothesis of decreased ATP consumption during delta activity, the ATP-consuming Na+-K+-ATPase mRNA levels were significantly decreased, whereas the mRNAs for the ATP-producing cytochrome c oxidase (COX) subunits COX III and COX IVa were unchanged. Taken together, these data support the hypothesis of a cortical delta oscillation-dependent reduction in ATP consumption, thus providing the brain with increased ATP availability, and likely occurring because of reduced Na+-K+-ATPase-related energy consumption.

  19. Revisiting the Earth's sea-level and energy budgets from 1961 to 2008

    USGS Publications Warehouse

    Church, John A.; White, Neil J.; Konikow, Leonard F.; Domingues, Catia M.; Cogley, J. Graham; Rignot, Eric; Gregory, Jonathan M.; van den Broeke, Michiel R.; Monaghan, Andrew J.; Velicogna, Isabella

    2011-01-01

    We review the sea-level and energy budgets together from 1961, using recent and updated estimates of all terms. From 1972 to 2008, the observed sea-level rise (1.8 0.2 mm yr-1 from tide gauges alone and 2.1 0.2 mm yr -1 from a combination of tide gauges and altimeter observations) agrees well with the sum of contributions (1.8 0.4 mm yr-1) in magnitude and with both having similar increases in the rate of rise during the period. The largest contributions come from ocean thermal expansion (0.8 mm yr-1) and the melting of glaciers and ice caps (0.7 mm yr -1), with Greenland and Antarctica contributing about 0.4 mm yr -1. The cryospheric contributions increase through the period (particularly in the 1990s) but the thermosteric contribution increases less rapidly. We include an improved estimate of aquifer depletion (0.3 mm yr -1), partially offsetting the retention of water in dams and giving a total terrestrial storage contribution of-0.1 mm yr-1. Ocean warming (90% of the total of the Earth's energy increase) continues through to the end of the record, in agreement with continued greenhouse gas forcing. The aerosol forcing, inferred as a residual in the atmospheric energy balance, is estimated as-0.8 0.4 W m-2 for the 1980s and early 1990s. It increases in the late 1990s, as is required for consistency with little surface warming over the last decade. This increase is likely at least partially related to substantial increases in aerosol emissions from developing nations and moderate volcanic activity. Copyright 2011 by the American Geophysical Union.

  20. Capacity Payments in Restructured Markets under Low and High Penetration Levels of Renewable Energy

    SciTech Connect

    Jenkin, Thomas; Beiter, Philipp; Margolis, Robert

    2016-02-11

    There is considerable debate about the degree to which restructured markets perform successfully in their use of capacity markets. In providing appropriate incentives for new and existing generation to meet reliability requirements, a variety of capacity market designs have developed across RTOs and ISOs in the United States and internationally. Growing levels of variable renewable energy (VRE) resources arguably create new challenges for capacity market designs, because VREs suppress energy prices while providing relatively little capacity, with these effects increase with VRE penetration. The purpose of this report is threefold. First, we provide a brief outline of the purpose and design of various capacity markets under consideration using variable resource requirement (VRR) demand curves. Second, we discuss some of the main challenges raised in existing literature and a set of interviews that we conducted with market participants, regulators, and observers, including where there substantive differences in opinion. Third, we consider some of the challenges that may be specific to higher penetration levels of VRE. While the well known 'merit order' effect from VRE can be expected to suppress wholesale energy prices and revenue, this may be partly mitigated by increased capacity payments and the greater importance of AS payments for flexible capacity. The potential for greater reliance on capacity markets for generator revenues may amplify any inefficiency and costs associated with capacity price volatility and other suboptimal market design choices. Regulatory intervention to ensure adequate capacity payments and ancillary service revenue may become more prevalent under current market designs as the timescale for market signals shifts increasingly from near term (e.g., day-ahead in wholesale electricity markets) to longer term (annual intervals in capacity markets). Our review and discussion with market participants suggest substantive challenges may remain in

  1. The reorganization energy of electron transfer in nonpolar solvents: Molecular level treatment of the solvent

    NASA Astrophysics Data System (ADS)

    Leontyev, I. V.; Tachiya, M.

    2005-12-01

    The intermolecular electron transfer in a solute pair consisting of pyrene and dimethylaniline is investigated in a nonpolar solvent, n-hexane. The earlier elaborated approach [M. Tachiya, J. Phys Chem. 97, 5911 (1993)] is used; this method provides a physically relevant background for separating inertial and inertialess polarization responses for both nonpolarizable and polarizable molecular level simulations. The molecular-dynamics technique was implemented for obtaining the equilibrium ensemble of solvent configurations. The nonpolar solvent, n-hexane, was treated in terms of OPLS-AA parametrization. Solute Lennard-Jones parameters were taken from the same parametrization. Solute charge distributions of the initial and final states were determined using ab initio level [HF/6-31G(d,p)] quantum-chemical calculations. Configuration analysis was performed explicitly taking into account the anisotropic polarizability of n-hexane. It is shown that the Gaussian law well describes calculated distribution functions of the solvent coordinate, therefore, the rate constant of the ET reaction can be characterized by the reorganization energy. Evaluated values of the reorganization energies are in a range of 0.03-0.11 eV and significant contribution (more then 40% of magnitude) comes from anisotropic polarizability. Investigation of the reorganization energy λ dependence on the solute pair separation distance d revealed unexpected behavior. The dependence has a very sharp peak at the distance d =7Å where solvent molecules are able to penetrate into the intermediate space between the solute pair. The reason for such behavior is clarified. This new effect has a purely molecular origin and cannot be described within conventional continuum solvent models.

  2. The reorganization energy of electron transfer in nonpolar solvents: Molecular level treatment of the solvent

    SciTech Connect

    Leontyev, I.V.; Tachiya, M.

    2005-12-08

    The intermolecular electron transfer in a solute pair consisting of pyrene and dimethylaniline is investigated in a nonpolar solvent, n-hexane. The earlier elaborated approach [M. Tachiya, J. Phys Chem. 97, 5911 (1993)] is used; this method provides a physically relevant background for separating inertial and inertialess polarization responses for both nonpolarizable and polarizable molecular level simulations. The molecular-dynamics technique was implemented for obtaining the equilibrium ensemble of solvent configurations. The nonpolar solvent, n-hexane, was treated in terms of OPLS-AA parametrization. Solute Lennard-Jones parameters were taken from the same parametrization. Solute charge distributions of the initial and final states were determined using ab initio level [HF/6-31G(d,p)] quantum-chemical calculations. Configuration analysis was performed explicitly taking into account the anisotropic polarizability of n-hexane. It is shown that the Gaussian law well describes calculated distribution functions of the solvent coordinate, therefore, the rate constant of the ET reaction can be characterized by the reorganization energy. Evaluated values of the reorganization energies are in a range of 0.03-0.11 eV and significant contribution (more then 40% of magnitude) comes from anisotropic polarizability. Investigation of the reorganization energy {lambda} dependence on the solute pair separation distance d revealed unexpected behavior. The dependence has a very sharp peak at the distance d=7 A where solvent molecules are able to penetrate into the intermediate space between the solute pair. The reason for such behavior is clarified. This new effect has a purely molecular origin and cannot be described within conventional continuum solvent models.

  3. Dynamic thermal/acoustic response for human bone materials at different energy levels: A diagnosis approach.

    PubMed

    Thella, Ashok Kumar; Rizkalla, James; Rathi, Neeraj; Kakani, Monika; Helmy, Ahdy; Salama, Paul; Rizkalla, Maher E

    2017-03-01

    The non-invasive diagnostic approaches have gained high attention in recent years, utilizing high technology sensor systems, including infrared, microwave devices, acoustic transducers, etc. The patient safety, high resolution images, and reliability are among the driving forces toward high technology approaches. The thermal and acoustic responses of the materials may reflect the important research parameters such as penetration depth, power consumption, and temperature change used for the practical models of the system. This paper emphasizes the approach for orthopedic application where the bone densities were considered in simulation to designate the type of human bones. Thermal energy pulses were applied in order to study the penetration depth, the maximum temperature change; spatially and dynamically, and the acoustic pressure distribution over the bone thickness. The study was performed to optimize the amount of energy introduced into the materials that generate the temperature value for high resolution beyond the noise level. Three different energy pulses were used; 1 J, 3 J and 5 J. The thermal energy applied to the four bone materials, cancellous bone, cortical bone, red bone marrow, and yellow bone marrow were producing relative changes in temperature. The maximum change ranges from 0.5 K to 2 K for the applied pulses. The acoustic pressure also ranges from 210 to 220 dB among the various types of bones. The results obtained from simulation suggest that a practical model utilizing infra-red scanning probe and piezoelectric devices may serve for the orthopedic diagnostic approach. The simulations for multiple layers such as skin interfaced with bone will be reserved for future considerations.

  4. Response of chicks to two diets of differing energy levels under conditions of brooding with or without supplemental heat

    NASA Astrophysics Data System (ADS)

    Donkoh, A.; Kese, A. G.

    1987-12-01

    A 2×2 factorial experiment was conducted to determine the performance and certain physiological parameters of 200 day-old chicks fed diets containing either 2600 or 3000 kcal metabolizable energy (ME) per kilogram for a period of 28 days under conditions of brooding with or without supplemental heat in a hot humid tropical area. The results indicated that within each dietary energy level, there was no significant difference in growth rates of chicks brooded with or without supplemental heat, however, the high energy diet significantly (P<0.01) promoted greater weight gains than the low energy diet. Brooding chicks with supplemental heat and with the high energy diet, decreased feed intake and improved feed conversion efficiency. Chicks brooded without supplemental heat consumed significantly (P<0.01) less water than those brooded with heat, irrespective of the dietary energy level. Mortality and blood glucose levels were not affected by the heat and dietary energy treatments. Thyroid weight expressed as percentage of body weight, haemoglobin and hematocrit values were significantly (P<0.01) higher for chicks brooded without supplemental heat. On the other hand, dietary energy levels did not exert any effect on these physiological parameters. No significant heat and dietary energy level interaction effects were noted on all the parameters considered under this trial.

  5. Influence of Protein and Energy Level in Finishing Diets for Feedlot Hair Lambs: Growth Performance, Dietary Energetics and Carcass Characteristics

    PubMed Central

    Ríos-Rincón, F. G.; Estrada-Angulo, A.; Plascencia, A.; López-Soto, M. A.; Castro-Pérez, B. I.; Portillo-Loera, J. J.; Robles-Estrada, J. C.; Calderón-Cortes, J. F.; Dávila-Ramos, H.

    2014-01-01

    Forty-eight Pelibuey×Katahdin male intact lambs (23.87±2.84 kg) were used in an 84-d feeding trial, with six pens per treatment in a 2×2 factorial design arrangement. The aim of the study was to evaluate the interaction of two dietary energy levels (3.05 and 2.83 Mcal/kg ME) and two dietary protein levels (17.5% and 14.5%) on growth performance, dietary energetics and carcass traits. The dietary treatments used were: i) High protein-high energy (HP-HE); ii) High protein-low energy (HP-LE); iii) Low protein-high energy (LP-HE), and iv) Low protein-low energy (LP-LE). With a high-energy level, dry matter intake (DMI) values were 6.1% lower in the low-protein diets, while with low-energy, the DMI values did not differ between the dietary protein levels. Energy levels did not influence the final weight and average daily gain (ADG), but resulted in lower DMI values and higher gain efficiencies. No effects of protein level were detected on growth performance. The observed dietary net energy (NE) ratio and observed DMI were closer than expected in all treatments and were not affected by the different treatments. There was an interaction (p<0.03) between energy and protein level for kidney-pelvic and heart fat (KPH), KPH was higher in lambs fed high energy and high protein diet but not in high energy and low protein diet. The KPH was increased (20.2%, p = 0.01) in high-energy diets, while fat thickness was increased (21.7%, p = 0.02) in high-protein diets. Therefore, it is concluded that dietary energy levels play a more important role in feed efficiency than protein levels in finishing lambs with a high-energy diet (>2.80 Mcal/kg ME). Providing a level of protein above 14.5% does not improves growth-performance, dietary energetics or carcass dressing percentage. PMID:25049926

  6. Energy Sources (Energy/Power). Industrial Arts, Senior High--Level II. North Dakota Senior High Industrial Arts Curriculum Guides.

    ERIC Educational Resources Information Center

    Lawrence, Allen; And Others

    This course guide for an energy sources course is one of four developed for the energy/power area in the North Dakota senior high industrial arts education program. (Eight other guides are available for two other areas of Industrial Arts--graphic communications and production.) Part 1 provides such introductory information as a definition and…

  7. Energy Sources (Energy/Power). Industrial Arts, Senior High--Level II. North Dakota Senior High Industrial Arts Curriculum Guides.

    ERIC Educational Resources Information Center

    Lawrence, Allen; And Others

    This course guide for an energy sources course is one of four developed for the energy/power area in the North Dakota senior high industrial arts education program. (Eight other guides are available for two other areas of Industrial Arts--graphic communications and production.) Part 1 provides such introductory information as a definition and…

  8. Low energy electron irradiation induced deep level defects in 6H-SiC: the implication for the microstructure of the deep levels E1/E2.

    PubMed

    Chen, X D; Yang, C L; Gong, M; Ge, W K; Fung, S; Beling, C D; Wang, J N; Lui, M K; Ling, C C

    2004-03-26

    N-type 6H-SiC samples irradiated with electrons having energies of E(e)=0.2, 0.3, 0.5, and 1.7 were studied by deep level transient technique. No deep level was detected at below 0.2 MeV irradiation energy while for E(e)>/=0.3 MeV, deep levels ED1, E(1)/E(2), and E(i) appeared. By considering the minimum energy required to displace the C atom or the Si atom in the SiC lattice, it is concluded that generation of the deep levels E(1)/E(2), as well as ED1 and E(i), involves the displacement of the C atom in the SiC lattice.

  9. Low Energy Electron Irradiation Induced Deep Level Defects in 6H-SiC: The Implication for the Microstructure of the Deep Levels E1/E2

    NASA Astrophysics Data System (ADS)

    Chen, X. D.; Yang, C. L.; Gong, M.; Ge, W. K.; Fung, S.; Beling, C. D.; Wang, J. N.; Lui, M. K.; Ling, C. C.

    2004-03-01

    N-type 6H-SiC samples irradiated with electrons having energies of Ee=0.2, 0.3, 0.5, and 1.7 were studied by deep level transient technique. No deep level was detected at below 0.2MeV irradiation energy while for Ee≥0.3 MeV, deep levels ED1, E1/E2, and Ei appeared. By considering the minimum energy required to displace the C atom or the Si atom in the SiC lattice, it is concluded that generation of the deep levels E1/E2, as well as ED1 and Ei, involves the displacement of the C atom in the SiC lattice.

  10. Mutations to R. sphaeroides Reaction Center Perturb Energy Levels and Vibronic Coupling but Not Observed Energy Transfer Rates.

    PubMed

    Flanagan, Moira L; Long, Phillip D; Dahlberg, Peter D; Rolczynski, Brian S; Massey, Sara C; Engel, Gregory S

    2016-03-10

    The bacterial reaction center is capable of both efficiently collecting and quickly transferring energy within the complex; therefore, the reaction center serves as a convenient model for both energy transfer and charge separation. To spectroscopically probe the interactions between the electronic excited states on the chromophores and their intricate relationship with vibrational motions in their environment, we examine coherences between the excited states. Here, we investigate this question by introducing a series of point mutations within 12 Å of the special pair of bacteriochlorophylls in the Rhodobacter sphaeroides reaction center. Using two-dimensional spectroscopy, we find that the time scales of energy transfer dynamics remain unperturbed by these mutations. However, within these spectra, we detect changes in the mixed vibrational-electronic coherences in these reaction centers. Our results indicate that resonance between bacteriochlorophyll vibrational modes and excitonic energy gaps promote electronic coherences and support current vibronic models of photosynthetic energy transfer.

  11. Energy levels and transition rates for the boron isoelectronic sequence: Si X, Ti XVIII - Cu XXV

    NASA Astrophysics Data System (ADS)

    Jönsson, P.; Ekman, J.; Gustafsson, S.; Hartman, H.; Karlsson, L. B.; du Rietz, R.; Gaigalas, G.; Godefroid, M. R.; Froese Fischer, C.

    2013-11-01

    Relativistic configuration interaction (RCI) calculations are performed for 291 states belonging to the configurations 1s22s22p, 1s22s2p2, 1s22p3, 1s22s23l, 1s22s2p3l, 1s22p23l, 1s22s24l', 1s22s2p4l', and 1s22p24l' (l = 0,1,2 and l' = 0,1,2,3) in boron-like ions Si X and Ti XVIII to Cu XXV. Electron correlation effects are represented in the wave functions by large configuration state function (CSF) expansions. States are transformed from jj-coupling to LS-coupling, and the LS-percentage compositions are used for labeling the levels. Radiative electric dipole transition rates are given for all ions, leading to massive data sets. Calculated energy levels are compared with other theoretical predictions and crosschecked against the Chianti database, NIST recommended values, and other observations. The accuracy of the calculations are high enough to facilitate the identification of observed spectral lines. Research supported in part by the Swedish Research council and the Swedish Institute. Part of this work was supported by the Communauté française of Belgium, the Belgian National Fund for Scientific Research (FRFC/IISN Convention) and by the IUAP-Belgian State Science Policy (BriX network P7/12).Tables of energy levels and transition rates (Tables 3-19) are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/559/A100

  12. Highlands County Energy Lessons. Middle School Level - Science, Mathematics, Social Studies, Vocational Education.

    ERIC Educational Resources Information Center

    Allen, Rodney F., Ed.; Farmer, Richard

    Middle school energy skills (Enerskills) and activities (Eneractivities) are provided in seven sections. Areas addressed include: (1) locating energy information using telephone books, dictionaries, card catalogs, and readers' guides; (2) writing letters for energy information; (3) energy and food (food intake/human performance, calories/energy);…

  13. Highlands County Energy Lessons. Middle School Level - Science, Mathematics, Social Studies, Vocational Education.

    ERIC Educational Resources Information Center

    Allen, Rodney F., Ed.; Farmer, Richard

    Middle school energy skills (Enerskills) and activities (Eneractivities) are provided in seven sections. Areas addressed include: (1) locating energy information using telephone books, dictionaries, card catalogs, and readers' guides; (2) writing letters for energy information; (3) energy and food (food intake/human performance, calories/energy);…

  14. Assessment of feeding varying levels of Metabolizable energy and protein on performance of transition Murrah buffaloes.

    PubMed

    Mustafa, Abdelfatah Abdelsalam; Tyagi, Nitin; Gautam, Mayank; Chaudhari, Alkesh; Sediqi, Jawid

    2017-08-07

    Fifteen close up pregnant Murrah buffaloes of mean body weight (668.3 ± 24.03) kg, lactation number (2.8 ± 0.17) and expected producing ability (EPA) (2125.7 ± 46.34) were randomly distributed into three groups each of five animals to investigate the performance at different levels of metabolizable energy and protein. Control group was fed as per ICAR Nutrient requirements of animals (2013) recommendation whereas treatment group (1) high metabolizable energy and high metabolizable protein (HMEMP) and group (2) low metabolizable energy and low metabolizable protein (LMEMP) were offered with ration containing 15% more and 15% less ME and MP, respectively. The feeding trial was carried out for the period of 40 days before parturition and continued for 120 days after parturition. Intake of dry matter (DM) (%BW) was similar among experimental groups. Metabolizable energy (ME) (MJ/100 kg BW) and metabolizable protein (MP) (g/100 kg BW) intake was highest in HMEMP followed by control and LMEMP group, respectively. Digestibility trial of 7 days was conducted at 60 days post-partum and it was observed that apparent digestibility coefficients (%) of DM, organic matter (OM), crude protein (CP), ether extracts (EE), neutral detergent fiber (NDF) and acid detergent fiber (ADF) were similar among the experimental groups. Milk yield (kg/kg DMI) was similar among treatment groups whereas 6% fat corrected milk (FCM) was lower in LMEMP group as compared to HMEMP and control. No significant effect of dietary MP and ME levels on milk composition was observed among experimental groups. There were no significant difference in non esterified fatty acid (NEFA), blood urea nitrogen(BUN), growth hormone (GH) and insulin like growth factor-1(IGF-1) concentration among different experimental groups whereas concentration of immunoglobulin G (IgG) (μg/ml) was found to be lower in LMEMP. The study results indicate that nutrient digestibility and lactation performance was not

  15. Vibrational energy levels of the simplest Criegee intermediate (CH2OO) from full-dimensional Lanczos, MCTDH, and MULTIMODE calculations

    NASA Astrophysics Data System (ADS)

    Yu, Hua-Gen; Ndengue, Steve; Li, Jun; Dawes, Richard; Guo, Hua

    2015-08-01

    Accurate vibrational energy levels of the simplest Criegee intermediate (CH2OO) were determined on a recently developed ab initio based nine-dimensional potential energy surface using three quantum mechanical methods. The first is the iterative Lanczos method using a conventional basis expansion with an exact Hamiltonian. The second and more efficient method is the multi-configurational time-dependent Hartree (MCTDH) method in which the potential energy surface is refit to conform to the sums-of-products requirement of MCTDH. Finally, the energy levels were computed with a vibrational self-consistent field/virtual configuration interaction method in MULTIMODE. The low-lying levels obtained from the three methods are found to be within a few wave numbers of each other, although some larger discrepancies exist at higher levels. The calculated vibrational levels are very well represented by an anharmonic effective Hamiltonian.

  16. Vibrational energy levels of the simplest Criegee intermediate (CH2OO) from full-dimensional Lanczos, MCTDH, and MULTIMODE calculations.

    PubMed

    Yu, Hua-Gen; Ndengue, Steve; Li, Jun; Dawes, Richard; Guo, Hua

    2015-08-28

    Accurate vibrational energy levels of the simplest Criegee intermediate (CH2OO) were determined on a recently developed ab initio based nine-dimensional potential energy surface using three quantum mechanical methods. The first is the iterative Lanczos method using a conventional basis expansion with an exact Hamiltonian. The second and more efficient method is the multi-configurational time-dependent Hartree (MCTDH) method in which the potential energy surface is refit to conform to the sums-of-products requirement of MCTDH. Finally, the energy levels were computed with a vibrational self-consistent field/virtual configuration interaction method in MULTIMODE. The low-lying levels obtained from the three methods are found to be within a few wave numbers of each other, although some larger discrepancies exist at higher levels. The calculated vibrational levels are very well represented by an anharmonic effective Hamiltonian.

  17. The effect of dietary energy and protein levels on production in breeding female ostriches.

    PubMed

    Brand, Z; Brand, T S; Brown, C R

    2003-09-01

    1. In a study spanning two breeding seasons, we assessed the effect of different dietary energy and protein levels on body mass, body condition, and egg production of female ostriches. 2. During the first breeding season, groups were given diets with energy concentrations of 8.5, 9.5 and 10.5 MJ/kg dry mass (DM) metabolisable energy (ME) and protein concentrations of 135, 150 and 165 g/kg. In the second breeding season, groups were given diets with ME of 7.5, 8.5 and 9.5 MJ/kg and protein contents of 105, 120 and 135 g/kg. 3. Body mass of birds on diets of 7.5 and 8.5 MJ/kg ME decreased significantly in the course of the breeding season compared with birds fed on diets with higher energy contents and body measurements decreased, suggesting a loss of body condition. 4. Females fed on diets containing only 7.5 MJ/kg ME produced significantly fewer eggs at significantly longer intervals, resulting in fewer chicks hatched. 5. There was no significant difference in egg mass, initial chick mass, chick survival to one month of age and body mass of chicks at one month. 6. Dietary protein concentrations had no effect on egg production, egg mass, hatchability, initial chick mass, chick survival or chick mass at one month old. 7. The female ostriches regained their original body mass during the 4-month rest period between breeding seasons, but significant differences in some parameters during the second breeding season suggest that they may not have fully recovered their body condition. 8. A dietary energy content of 7.5 MJ/kg proved to have an adverse effect on egg production by breeding female ostriches, and it may be concluded from this study that a diet containing 8.5 MJ ME/kg DM and 105 g/kg protein should be regarded as the minimum that can be used for breeding female ostriches without compromising egg production.

  18. Organic molecules on metal and oxide semiconductor substrates: Adsorption behavior and electronic energy level alignment

    NASA Astrophysics Data System (ADS)

    Ruggieri, Charles M.

    Modern devices such as organic light emitting diodes use organic/oxide and organic/metal interfaces for crucial processes such as charge injection and charge transfer. Understanding fundamental physical processes occurring at these interfaces is essential to improving device performance. The ultimate goal of studying such interfaces is to form a predictive model of interfacial interactions, which has not yet been established. To this end, this thesis focuses on obtaining a better understanding of fundamental physical interactions governing molecular self-assembly and electronic energy level alignment at organic/metal and organic/oxide interfaces. This is accomplished by investigating both the molecular adsorption geometry using scanning tunneling microscopy, as well as the electronic structure at the interface using direct and inverse photoemission spectroscopy, and analyzing the results in the context of first principles electronic structure calculations. First, we study the adsorption geometry of zinc tetraphenylporphyrin (ZnTPP) molecules on three noble metal surfaces: Au(111), Ag(111), and Ag(100). These surfaces were chosen to systematically compare the molecular self-assembly and adsorption behavior on two metals of the same surface symmetry and two surface symmetries of one metal. From this investigation, we improve the understanding of self-assembly at organic/metal interfaces and the relative strengths of competing intermolecular and molecule-substrate interactions that influence molecular adsorption geometry. We then investigate the electronic structure of the ZnTPP/Au(111), Ag(111), and Ag(100) interfaces as examples of weakly-interacting systems. We compare these cases to ZnTPP on TiO2(110), a wide-bandgap oxide semiconductor, and explain the intermolecular and molecule-substrate interactions that determine the electronic energy level alignment at the interface. Finally we study tetracyanoquinodimethane (TCNQ), a strong electron acceptor, on TiO2

  19. Levelized cost of energy and sensitivity analysis for the hydrogen-bromine flow battery

    NASA Astrophysics Data System (ADS)

    Singh, Nirala; McFarland, Eric W.

    2015-08-01

    The technoeconomics of the hydrogen-bromine flow battery are investigated. Using existing performance data the operating conditions were optimized to minimize the levelized cost of electricity using individual component costs for the flow battery stack and other system units. Several different configurations were evaluated including use of a bromine complexing agent to reduce membrane requirements. Sensitivity analysis of cost is used to identify the system elements most strongly influencing the economics. The stack lifetime and round-trip efficiency of the cell are identified as major factors on the levelized cost of electricity, along with capital components related to hydrogen storage, the bipolar plate, and the membrane. Assuming that an electrocatalyst and membrane with a lifetime of 2000 cycles can be identified, the lowest cost market entry system capital is 220 kWh-1 for a 4 h discharge system and for a charging energy cost of 0.04 kWh-1 the levelized cost of the electricity delivered is 0.40 kWh-1. With systems manufactured at large scales these costs are expected to be lower.

  20. Moderate exercise-induced energy expenditure does not alter leptin levels in sedentary obese men.

    PubMed

    Kyriazis, George A; Caplan, Jonathan D; Lowndes, Joshua; Carpenter, Richard L; Dennis, Karen E; Sivo, Stephen A; Angelopoulos, Theodore J

    2007-01-01

    The purpose of the study was to determine whether exercise-induced increases in energy expenditure (EE) alter circulating leptin levels in obese individuals. Participants were randomized to an exercise intervention group (n = 8) or nonexercising control (n = 7). All data were collected on an outpatient basis at the exercise physiology laboratory at the University of Central Florida. Fifteen healthy obese males (24.9 +/- 1.4 years old, body mass index 33.4 +/- 0.7 kg . m). Members of the intervention group underwent a single exercise session of moderate intensity (58.4 +/- 1.3% of VO2max) for 60 minutes. Postexercise, 24 hour postexercise, and 48 hour postexercise levels of leptin, insulin, and ghrelin. The exercise session elicited an EE of 567 +/- 25 Kcal. No significant main effect or time-by-group interactions for leptin or ghrelin were observed immediately after the exercise bout or in the days following the intervention. These preliminary data suggest that a bout of acute exercise of moderate intensity and duration does not affect leptin concentration. It is possible that a higher level of EE is required to elicit substantial changes.

  1. Ab initio calculations of energy levels, transition rates and lifetimes in Ni xii

    NASA Astrophysics Data System (ADS)

    Bilal, M.; Beerwerth, R.; Volotka, A. V.; Fritzsche, S.

    2017-08-01

    We report large-scale multi-configuration Dirac-Hartree-Fock calculations and relativistic configuration interaction calculations for allowed E1 and forbidden transitions (M1, E2, M2) among the fine structure levels of the 3s23p5, 3s3p6 and 3s23p43d configurations for Ni xii. In our systematically enlarged wave functions, we incorporated the effects of relativity, all important electron correlations and rearrangement of the bound electron density within two different computational models. We compare our calculated energies for the fine structure levels with previous calculations and experiments. We validate all the tentative experimental lines recently identified by Del Zanna & Badnell with one exception. We discuss the consistency of our transition rates in comparison to semi-empirical predictions. We present ab initio lifetime values by taking into account all allowed E1 and forbidden transitions (M1, E2, M2) rates among lowest 31 levels. Our results for lifetime values are better than previously reported ab initio and semi-empirical values as compared to available experiments, thus, providing reliable predictions in the prospects of future experiments.

  2. A Critical Compilation of Energy Levels, Spectral Lines, and Transition Probabilities of Singly Ionized Silver, Ag II.

    PubMed

    Kramida, Alexander

    2013-01-01

    All available experimental measurements of the spectrum of the Ag(+) ion are critically reviewed. Systematic shifts are removed from the measured wavelengths. The compiled list of critically evaluated wavelengths is used to derive a comprehensive list of energy levels with well-defined uncertainties. Eigenvector compositions and level designations are found in two alternate coupling schemes. Some of the older work is found to be incorrect. A revised value of the ionization energy, 173283(7) cm(-1), equivalent to 21.4844(8) eV, is derived from the new energy levels. A set of critically evaluated transition probabilities is given.

  3. A Critical Compilation of Energy Levels, Spectral Lines, and Transition Probabilities of Singly Ionized Silver, Ag II

    PubMed Central

    Kramida, Alexander

    2013-01-01

    All available experimental measurements of the spectrum of the Ag+ ion are critically reviewed. Systematic shifts are removed from the measured wavelengths. The compiled list of critically evaluated wavelengths is used to derive a comprehensive list of energy levels with well-defined uncertainties. Eigenvector compositions and level designations are found in two alternate coupling schemes. Some of the older work is found to be incorrect. A revised value of the ionization energy, 173283(7) cm−1, equivalent to 21.4844(8) eV, is derived from the new energy levels. A set of critically evaluated transition probabilities is given. PMID:26401429

  4. Distribution of the energy levels of individual interface traps and a fundamental refinement in charge pumping theory

    NASA Astrophysics Data System (ADS)

    Tsuchiya, Toshiaki; Lenahan, Patrick M.

    2017-03-01

    We carried out a unique and systematic characterization of single amphoteric Si/SiO2 interface traps using the charge pumping (CP) method. As a result, we obtained the distribution of the energy levels of these traps for the first time. The distribution is reasonably similar to that of the P b0 density of states reported previously. By considering the essential nature of these traps (i.e., those with two energy levels), factors depending on the energy levels, and the Coulomb interactions between traps, we fundamentally corrected the conventional CP theory.

  5. Exact energy levels and eigenfunctions of an electron on a nanosphere under the influence of a radial magnetic field

    NASA Astrophysics Data System (ADS)

    Çetin, A.

    2017-10-01

    The exact energy levels and wave functions of an electron that is free to move on a nanosphere under the influence of a radial magnetic field have been determined. The wave functions are expressed in terms of Jacobi polynomials that are well defined and orthogonal and can be expressed using recurrence relations and series expansions. We also discuss the wave functions and energy levels in the presence of a very high magnetic field. Landau energy levels are shown for strong constant magnetic fields occurring on two-dimensional flat surfaces, if the radius is very large. The results are compared with those of previously published researches.

  6. Level I Energy and Water Survey, ERDC-CERL, Champaign, IL

    DTIC Science & Technology

    2015-05-12

    ECMs/WCMs. ECM/ WCM Title Elec Energy Savings MMBtu Thermal Energy Savings MMBtu Total Energy Savings MMBtu Water Savings (kgal...ECM/WCM Group Elec Energy Savings MMBtu Thermal Energy Savings MMBtu Total Energy Savings (MMBtu) Water Savin gs (kgal) Cost Savings...British thermal units (Btu, International Table) 1,055.056 joules MMBtu 0.293 MWh cubic feet 0.02831685 cubic meters cubic inches 1.6387064 E-05

  7. Energy Spectra, Composition, and Other Properties of Ground-Level Events During Solar Cycle 23

    NASA Technical Reports Server (NTRS)

    Mewaldt, R. A.; COhen, C. M. S.; Labrador, A. W.; Leske, R. A.; Looper, M. D.; Haggerty, D. K.; Mason, G. M.; Mazur, J. E.; vonRosenvinge, T. T.

    2012-01-01

    We report spacecraft measurements of the energy spectra of solar protons and other solar energetic particle properties during the 16 Ground Level Events (GLEs) of Solar Cycle 23. The measurements were made by eight instruments on the ACE, GOES, SAMPBX, and STEREO spacecraft and extend from approximately 0.1 to approximately 500-700 MeV. All of the proton spectra exhibit spectral breaks at energies ranging from approximately 2 to approximately 46 MeV and all are well fit by a double power-law shape. A comparison of GLE events with a larger sample of other solar energetic particle (SEP) events shows that the typical spectral indices are harder in GLE events, with a mean slope of -3.18 at greater than 40 MeV/nuc. In the energy range 45 to 80 MeV/nucleon about approximately 50% of GLE events have properties in common with impulsive He-3-rich SEP events, including enrichments in Ne/O, Fe/O, Ne-22/Ne-20, and elevated mean charge states of Fe. These He-3 rich events contribute to the seed population accelerated by CME-driven shocks. An analysis is presented of whether highly-ionized Fe ions observed in five events could be due to electron stripping during shock acceleration in the low corona. Making use of stripping calculations by others and a coronal density model, we can account for events with mean Fe charge states of (Q(sub Fe) is approximately equal to +20 if the acceleration starts at approximately 1.24-1.6 solar radii, consistent with recent comparisons of CME trajectories and type-II radio bursts. In addition, we suggest that gradual stripping of remnant ions from earlier large SEP events may also contribute a highly-ionized suprathermal seed population. We also discuss how observed SEP spectral slopes relate to the energetics of particle acceleration in GLE and other large SEP events.

  8. New power source from fractional quantum energy levels of atomic hydrogen that surpasses internal combustion

    NASA Astrophysics Data System (ADS)

    Mills, R. L.; Ray, P.; Dhandapani, B.; Nansteel, M.; Chen, X.; He, J.

    2002-12-01

    Extreme ultraviolet (EUV) spectroscopy was recorded on microwave discharges of helium with 2% hydrogen. Novel emission lines were observed with energies of q·13.6 eV where q=1,2,3,4,6,7,8,9, or 11 or these lines inelastically scattered by helium atoms wherein 21.2 eV was absorbed in the excitation of He (1s 2) to He (1s 12p 1). These lines were identified as hydrogen transitions to electronic energy levels below the 'ground' state corresponding to fractional quantum numbers. Significant line broadening corresponding to an average hydrogen atom temperature of 33-38 eV was observed for helium-hydrogen discharge plasmas; whereas pure hydrogen showed no excessive broadening corresponding to an average hydrogen atom temperature of ≈3 eV. Since a significant increase in H temperature was observed with helium-hydrogen discharge plasmas, and energetic hydrino lines were observed at short wavelengths in the corresponding microwave plasmas that required a very significant reaction rate due to low photon detection efficiency in this region, the power balance was measured on the helium-hydrogen microwave plasmas. With a microwave input power of 30 W, the thermal output power was measured to be at least 300 W corresponding to a reactor temperature rise from room temperature to 900 °C within 90 s, a power density of 30 MW/m 3, and an energy balance of about -4×10 5 kJ/mol H 2 compared to the enthalpy of combustion of hydrogen of -241.8 kJ/mol H 2.

  9. Energy Spectra, Composition, and Other Properties of Ground-Level Events During Solar Cycle 23

    NASA Technical Reports Server (NTRS)

    Mewaldt, R. A.; COhen, C. M. S.; Labrador, A. W.; Leske, R. A.; Looper, M. D.; Haggerty, D. K.; Mason, G. M.; Mazur, J. E.; vonRosenvinge, T. T.

    2012-01-01

    We report spacecraft measurements of the energy spectra of solar protons and other solar energetic particle properties during the 16 Ground Level Events (GLEs) of Solar Cycle 23. The measurements were made by eight instruments on the ACE, GOES, SAMPBX, and STEREO spacecraft and extend from approximately 0.1 to approximately 500-700 MeV. All of the proton spectra exhibit spectral breaks at energies ranging from approximately 2 to approximately 46 MeV and all are well fit by a double power-law shape. A comparison of GLE events with a larger sample of other solar energetic particle (SEP) events shows that the typical spectral indices are harder in GLE events, with a mean slope of -3.18 at greater than 40 MeV/nuc. In the energy range 45 to 80 MeV/nucleon about approximately 50% of GLE events have properties in common with impulsive He-3-rich SEP events, including enrichments in Ne/O, Fe/O, Ne-22/Ne-20, and elevated mean charge states of Fe. These He-3 rich events contribute to the seed population accelerated by CME-driven shocks. An analysis is presented of whether highly-ionized Fe ions observed in five events could be due to electron stripping during shock acceleration in the low corona. Making use of stripping calculations by others and a coronal density model, we can account for events with mean Fe charge states of (Q(sub Fe) is approximately equal to +20 if the acceleration starts at approximately 1.24-1.6 solar radii, consistent with recent comparisons of CME trajectories and type-II radio bursts. In addition, we suggest that gradual stripping of remnant ions from earlier large SEP events may also contribute a highly-ionized suprathermal seed population. We also discuss how observed SEP spectral slopes relate to the energetics of particle acceleration in GLE and other large SEP events.

  10. Atomic-level energy storage mechanism of cobalt hydroxide electrode for pseudocapacitors

    PubMed Central

    Deng, Ting; Zhang, Wei; Arcelus, Oier; Kim, Jin-Gyu; Carrasco, Javier; Yoo, Seung Jo; Zheng, Weitao; Wang, Jiafu; Tian, Hongwei; Zhang, Hengbin; Cui, Xiaoqiang; Rojo, Teófilo

    2017-01-01

    Cobalt hydroxide is a promising electrode material for supercapacitors due to the high capacitance and long cyclability. However, the energy storage/conversion mechanism of cobalt hydroxide is still vague at the atomic level. Here we shed light on how cobalt hydroxide functions as a supercapacitor electrode at operando conditions. We find that the high specific capacitance and long cycling life of cobalt hydroxide involve a complete modification of the electrode morphology, which is usually believed to be unfavourable but in fact has little influence on the performance. The conversion during the charge/discharge process is free of any massive structural evolution, but with some tiny shuffling or adjustments of atom/ion species. The results not only unravel that the potential of supercapacitors could heavily rely on the underlying structural similarities of switching phases but also pave the way for future material design for supercapacitors, batteries and hybrid devices. PMID:28480885

  11. Atomic-level energy storage mechanism of cobalt hydroxide electrode for pseudocapacitors

    NASA Astrophysics Data System (ADS)

    Deng, Ting; Zhang, Wei; Arcelus, Oier; Kim, Jin-Gyu; Carrasco, Javier; Yoo, Seung Jo; Zheng, Weitao; Wang, Jiafu; Tian, Hongwei; Zhang, Hengbin; Cui, Xiaoqiang; Rojo, Teófilo

    2017-05-01

    Cobalt hydroxide is a promising electrode material for supercapacitors due to the high capacitance and long cyclability. However, the energy storage/conversion mechanism of cobalt hydroxide is still vague at the atomic level. Here we shed light on how cobalt hydroxide functions as a supercapacitor electrode at operando conditions. We find that the high specific capacitance and long cycling life of cobalt hydroxide involve a complete modification of the electrode morphology, which is usually believed to be unfavourable but in fact has little influence on the performance. The conversion during the charge/discharge process is free of any massive structural evolution, but with some tiny shuffling or adjustments of atom/ion species. The results not only unravel that the potential of supercapacitors could heavily rely on the underlying structural similarities of switching phases but also pave the way for future material design for supercapacitors, batteries and hybrid devices.

  12. Atomic-level energy storage mechanism of cobalt hydroxide electrode for pseudocapacitors.

    PubMed

    Deng, Ting; Zhang, Wei; Arcelus, Oier; Kim, Jin-Gyu; Carrasco, Javier; Yoo, Seung Jo; Zheng, Weitao; Wang, Jiafu; Tian, Hongwei; Zhang, Hengbin; Cui, Xiaoqiang; Rojo, Teófilo

    2017-05-08

    Cobalt hydroxide is a promising electrode material for supercapacitors due to the high capacitance and long cyclability. However, the energy storage/conversion mechanism of cobalt hydroxide is still vague at the atomic level. Here we shed light on how cobalt hydroxide functions as a supercapacitor electrode at operando conditions. We find that the high specific capacitance and long cycling life of cobalt hydroxide involve a complete modification of the electrode morphology, which is usually believed to be unfavourable but in fact has little influence on the performance. The conversion during the charge/discharge process is free of any massive structural evolution, but with some tiny shuffling or adjustments of atom/ion species. The results not only unravel that the potential of supercapacitors could heavily rely on the underlying structural similarities of switching phases but also pave the way for future material design for supercapacitors, batteries and hybrid devices.

  13. Assessing impacts of potential accelerating sea-level rise on coastal energy facilities, USA

    SciTech Connect

    Harrison, W.; Santini, D.J. ); Aubrey, D.G. . Coastal Research Center)

    1989-01-01

    The combination of worldwide (eustatic) sea-level rise (SLR) and local SLR due to consolidation of sediments or downward crustal movement is termed relative SLR'' (RSLR). Recent studies indicate that the eustatic component of RSLR may accelerate in the years ahead due to climate warming. This eustatic SLR will be augmented by ongoing consolidation of sediments and crustal subsidence along numerous stretches of the Atlantic and Gulf coasts of the United States, with attendant threats to existing and planned energy facilities. This paper provides a strategy for estimating the costs that could be incurred under various SLR scenarios for such facilities as electric generating stations, petroleum refinery/storage facilities, chemical plants, steel mills, and oil and liquefied natural gas port facilities. 15 refs., 3 figs.

  14. Department of Energy perspective on high-level waste standards for Yucca Mountain

    SciTech Connect

    Brocoum, S.J.; Gil, A.V.; Van Luik, A.E.; Lugo, M.A.

    1996-07-01

    This paper provides a regulatory perspective from the viewpoint of the potential licensee, the U.S. Department of Energy (DOE), on the National Academy of Sciences (NAS) report on Yucca Mountain standards issued in August 1995, and on how the recommendations in that report should be considered in the development of high-level radioactive waste standards applicable to Yucca Mountain. The paper first provides an overview of the DOE perspective and then discusses several of the issues that are of most importance in the development of the regulatory framework for Yucca Mountain, including both the U.S. Environmental Protection Agency (EPA) standard and the U.S. Nuclear Regulatory Commission (NRC) implementing regulation. These issues include: the regulatory time frame, the risk/dose limit, the definition of the reference biosphere, human intrusion, and natural processes and events.

  15. THz Pulse Duration Influence on High Energy Level Excitation Due to Cascade Mechanism

    NASA Astrophysics Data System (ADS)

    Trofimov, Vyacheslav A.; Zagursky, Dmitry Yu.; Zakharova, Irina G.

    2017-04-01

    We study influence of an incident broadband THz pulse duration on the spectral features of a signal transmitted through/reflected from a substance covered by a disordered structure by means of computer simulation. It is well-known that under real conditions, the results of a standard THz TDS undergo various factors. For example, a substance under investigation can be put into a bulk medium with ordinary properties. This often results in the distortion of the reflected/transmitted pulse spectra and hence, one may reveal additional absorption frequencies which can be thought as belonging to a dangerous substance. An issue from this situation may be a substance emission spectrum using. As we showed the emission frequencies appear due to the cascade mechanism of higher energy level excitation. In this paper we study the incident THz pulse duration influence on the emission frequencies manifestation.

  16. Accuracy of analytic energy level formulas applied to hadronic spectroscopy of heavy mesons

    NASA Technical Reports Server (NTRS)

    Badavi, Forooz F.; Norbury, John W.; Wilson, John W.; Townsend, Lawrence W.

    1988-01-01

    Linear and harmonic potential models are used in the nonrelativistic Schroedinger equation to obtain article mass spectra for mesons as bound states of quarks. The main emphasis is on the linear potential where exact solutions of the S-state eigenvalues and eigenfunctions and the asymptotic solution for the higher order partial wave are obtained. A study of the accuracy of two analytical energy level formulas as applied to heavy mesons is also included. Cornwall's formula is found to be particularly accurate and useful as a predictor of heavy quarkonium states. Exact solution for all partial waves of eigenvalues and eigenfunctions for a harmonic potential is also obtained and compared with the calculated discrete spectra of the linear potential. Detailed derivations of the eigenvalues and eigenfunctions of the linear and harmonic potentials are presented in appendixes.

  17. Energy Level Effects on Deformation Mechanism in Micro-scale Laser Peen Forming

    SciTech Connect

    Wang,Y.; Fan, Y.; Vukelic, S.; Yao, Y.

    2007-01-01

    Laser micro-scale peen forming attracts more and more attention recently as one of laser processing technology because it not only imparts desirable residual stress into target to improve the fatigue life of the material but also precisely deforms the target. In the present study, energy level effects on deformation mechanism in laser micro-scale peen forming was investigated by both numerical and experimental methods. Deformation curvatures and residual stress distributions of both sides, characterized by x-ray microdiffraction, were compared with the results obtained from FEM simulation. Forming mechanism of convex and concave phenomena was explained in terms of the resulting pressure, compressive stress distribution, and plastic strain. Difference of residual stress distribution patterns was also studied from the point of view of forming mechanism.

  18. Fourteenth annual U.S. Department of Energy low-level radioactive waste management conference: Proceedings

    SciTech Connect

    1993-03-01

    This document contains 69 papers that were presented at the Fourteenth Annual U.S. Department of Energy Low-Level Radioactive Waste Management Conference, November 18--20, 1992, in Phoenix, Arizona. The papers address the following general topics: (a) Performance Management Track: risk assessment; waste characterization; site characterization; facility design; groundwater modeling; monitoring and modeling; and regulatory requirements; (b) Technical Track: waste minimization; new technologies; international perspectives; licensing issues; hot topics; commercial storage; DOE storage; treatment technologies; and mixed waste; and (c) Institutional Track: status report; changes in orders, regulations, and guidance; regulatory compliance issues; communicating risk; hot topics; and storage impacts. Papers have been processed separately for inclusion on the data base.

  19. Development of radiological profiles for U.S. Department of Energy low-level mixed wastes

    SciTech Connect

    Wilkins, B.D.; Meshkov, N.K.; Dolak, D.A.; Wang, Y.Y.

    1995-03-01

    Radiological profiles have been developed by Argonne National Laboratory for low-level mixed wastes (LLMWs) that are under the management of the US Department of Energy (DOE). These profiles have been used in the Office of Environmental Management Programmatic Environmental Impact Statement (EM PEIS) to support the analysis of environmental and health risks associated with the various waste management strategies. The radiological characterization of DOE LLMWs is generally inadequate and has made it difficult to develop a site- and waste-stream-dependent radiological profile for LLMWs. On the basis of the operational history of the DOE sites, a simple model was developed to generate site-dependent and waste-stream-independent radiological profiles for LLMWs. This paper briefly discusses the assumptions used in this model and the uncertainties in the results.

  20. Determination of the energy levels of a phosphorescent guest in organic light emitting devices

    NASA Astrophysics Data System (ADS)

    Hill, I. G.; Mäkinen, A. J.; Kafafi, Z. H.

    2000-09-01

    We have used photoelectron spectroscopy to study the relative binding energies of the highest occupied molecular orbitals (HOMOs) of the phosphorescent guest, 2, 3, 7, 8, 12, 13, 17, 18octaethyl-21H,23H-porphine platinum (PtOEP), and the organic electron transport host, tris(8-hydroxyquinolinato) aluminum (III) (Alq3) in PtOEP:Alq3 composite films. The PtOEP HOMO position was found to be 0.50±0.13 eV above that of the Alq3 host, independent of the guest molecule concentration (0.8%-22% by mass). These results are consistent with the assumption that the vacuum levels of the guest and host align.

  1. Charge separation at nanoscale interfaces: Energy-level alignment including two-quasiparticle interactions

    SciTech Connect

    Li, Huashan; Lin, Zhibin; Lusk, Mark T. Wu, Zhigang

    2014-10-21

    The universal and fundamental criteria for charge separation at interfaces involving nanoscale materials are investigated. In addition to the single-quasiparticle excitation, all the two-quasiparticle effects including exciton binding, Coulomb stabilization, and exciton transfer are considered, which play critical roles on nanoscale interfaces for optoelectronic applications. We propose a scheme allowing adding these two-quasiparticle interactions on top of the single-quasiparticle energy level alignment for determining and illuminating charge separation at nanoscale interfaces. Employing the many-body perturbation theory based on Green's functions, we quantitatively demonstrate that neglecting or simplifying these crucial two-quasiparticle interactions using less accurate methods is likely to predict qualitatively incorrect charge separation behaviors at nanoscale interfaces where quantum confinement dominates.

  2. Mean-field energy-level shifts and dielectric properties of strongly polarized Rydberg gases

    NASA Astrophysics Data System (ADS)

    Zhelyazkova, V.; Jirschik, R.; Hogan, S. D.

    2016-11-01

    Mean-field energy-level shifts arising as a result of strong electrostatic dipole interactions within dilute gases of polarized helium Rydberg atoms have been probed by microwave spectroscopy. The Rydberg states studied had principal quantum numbers n =70 and 72, and electric dipole moments of up to 14 050 D, and were prepared in pulsed supersonic beams at particle number densities on the order of 108 cm-3. Comparisons of the experimental data with the results of Monte Carlo calculations highlight effects of the distribution of nearest-neighbor spacings in the pulsed supersonic beams, and the dielectric properties of the strongly polarized Rydberg gases, on the microwave spectra. These observations reflect the emergence of macroscopic electrical properties of the atomic samples when strongly polarized.

  3. Accurate prediction of higher-level electronic structure energies for large databases using neural networks, Hartree-Fock energies, and small subsets of the database

    NASA Astrophysics Data System (ADS)

    Malshe, M.; Pukrittayakamee, A.; Raff, L. M.; Hagan, M.; Bukkapatnam, S.; Komanduri, R.

    2009-09-01

    A novel method is presented that significantly reduces the computational bottleneck of executing high-level, electronic structure calculations of the energies and their gradients for a large database that adequately samples the configuration space of importance for systems containing more than four atoms that are undergoing multiple, simultaneous reactions in several energetically open channels. The basis of the method is the high-degree of correlation that generally exists between the Hartree-Fock (HF) and higher-level electronic structure energies. It is shown that if the input vector to a neural network (NN) includes both the configuration coordinates and the HF energies of a small subset of the database, MP4(SDQ) energies with the same basis set can be predicted for the entire database using only the HF and MP4(SDQ) energies for the small subset and the HF energies for the remainder of the database. The predictive error is shown to be less than or equal to the NN fitting error if a NN is fitted to the entire database of higher-level electronic structure energies. The general method is applied to the computation of MP4(SDQ) energies of 68 308 configurations that comprise the database for the simultaneous, unimolecular decomposition of vinyl bromide into six different reaction channels. The predictive accuracy of the method is investigated by employing successively smaller subsets of the database to train the NN to predict the MP4(SDQ) energies of the remaining configurations of the database. The results indicate that for this system, the subset can be as small as 8% of the total number of configurations in the database without loss of accuracy beyond that expected if a NN is employed to fit the higher-level energies for the entire database. The utilization of this procedure is shown to save about 78% of the total computational time required for the execution of the MP4(SDQ) calculations. The sampling error involved with selection of the subset is shown to be

  4. Accurate prediction of higher-level electronic structure energies for large databases using neural networks, Hartree-Fock energies, and small subsets of the database.

    PubMed

    Malshe, M; Pukrittayakamee, A; Raff, L M; Hagan, M; Bukkapatnam, S; Komanduri, R

    2009-09-28

    A novel method is presented that significantly reduces the computational bottleneck of executing high-level, electronic structure calculations of the energies and their gradients for a large database that adequately samples the configuration space of importance for systems containing more than four atoms that are undergoing multiple, simultaneous reactions in several energetically open channels. The basis of the method is the high-degree of correlation that generally exists between the Hartree-Fock (HF) and higher-level electronic structure energies. It is shown that if the input vector to a neural network (NN) includes both the configuration coordinates and the HF energies of a small subset of the database, MP4(SDQ) energies with the same basis set can be predicted for the entire database using only the HF and MP4(SDQ) energies for the small subset and the HF energies for the remainder of the database. The predictive error is shown to be less than or equal to the NN fitting error if a NN is fitted to the entire database of higher-level electronic structure energies. The general method is applied to the computation of MP4(SDQ) energies of 68,308 configurations that comprise the database for the simultaneous, unimolecular decomposition of vinyl bromide into six different reaction channels. The predictive accuracy of the method is investigated by employing successively smaller subsets of the database to train the NN to predict the MP4(SDQ) energies of the remaining configurations of the database. The results indicate that for this system, the subset can be as small as 8% of the total number of configurations in the database without loss of accuracy beyond that expected if a NN is employed to fit the higher-level energies for the entire database. The utilization of this procedure is shown to save about 78% of the total computational time required for the execution of the MP4(SDQ) calculations. The sampling error involved with selection of the subset is shown to be

  5. Core level electron binding energies of realgar (As{sub 4}S{sub 4})

    SciTech Connect

    Pratt, A.R.; Nesbitt, H.W.

    2000-04-01

    XPS broad scans and high-resolution narrow-region spectra were collected from fresh realgar (As{sub 4}S{sub 4}) surfaces to measure core level S and As binding energies. Reasonably accurate As and S concentrations were determined from XPS broad scans using peak areas and manufacturer supplied sensitivity factors. High resolution S(2p) and As(3d) narrow region spectra were comprised of photoelectron emissions indicative of As and S in intermediate oxidation states akin to binding energies of As and S polymeric species. S(2p) spectra were interpreted using only S contributions expected from the bulk mineral matrix and showed that S was not greatly affected by surface state phenomena. This was attributed to breakage of intermolecular van der Waals bonds rather than covalent interatomic bonds. As(3d) spectra were found to contain two contributions one from As atoms in As{sub 4}S{sub 4} molecules in the bulk mineral matrix and another possibly from As atoms in molecules situated at the surface.

  6. Modification of Coulomb law and energy levels of the hydrogen atom in a superstrong magnetic field

    SciTech Connect

    Machet, B.; Vysotsky, M. I.

    2011-01-15

    We obtain the following analytical formula which describes the dependence of the electric potential of a pointlike charge on the distance away from it in the direction of an external magnetic field B: {Phi}(z)=e/|z|[1-exp(-{radical}(6m{sub e}{sup 2})|z|)+exp(-{radical}((2/{pi})e{sup 3}B+6m{sub e}{sup 2})|z|)]. The deviation from Coulomb's law becomes essential for B>3{pi}B{sub cr}/{alpha}=3{pi}m{sub e}{sup 2}/e{sup 3{approx_equal}}6x10{sup 16} G. In such superstrong fields, electrons are ultrarelativistic except those which occupy the lowest Landau level (LLL) and which have the energy {epsilon}{sub 0}{sup 2}=m{sub e}{sup 2}+p{sub z}{sup 2}. The energy spectrum on which LLL splits in the presence of the atomic nucleus is found analytically. For B>3{pi}B{sub cr}/{alpha} it differs substantially from the one obtained without accounting for the modification of the atomic potential.

  7. Wind Levelized Cost of Energy: A Comparison of Technical and Financing Input Variables

    SciTech Connect

    Cory, K.; Schwabe, P.

    2009-10-01

    The expansion of wind power capacity in the United States has increased the demand for project development capital. In response, innovative approaches to financing wind projects have emerged and are proliferating in the U.S. renewable energy marketplace. Wind power developers and financiers have become more efficient and creative in structuring their financial relationships, and often tailor them to different investor types and objectives. As a result, two similar projects may use very different cash flows and financing arrangements, which can significantly vary the economic competitiveness of wind projects. This report assesses the relative impact of numerous financing, technical, and operating variables on the levelized cost of energy (LCOE) associated with a wind project under various financing structures in the U.S. marketplace. Under this analysis, the impacts of several financial and technical variables on the cost of wind electricity generation are first examined individually to better understand the relative importance of each. Then, analysts examine a low-cost and a high-cost financing scenario, where multiple variables are modified simultaneously. Lastly, the analysis also considers the impact of a suite of financial variables versus a suite of technical variables.

  8. Formation of Triboelectric Series via Atomic-Level Surface Functionalization for Triboelectric Energy Harvesting.

    PubMed

    Shin, Sung-Ho; Bae, Young Eun; Moon, Hyun Kyung; Kim, Jungkil; Choi, Suk-Ho; Kim, Yongho; Yoon, Hyo Jae; Lee, Min Hyung; Nah, Junghyo

    2017-06-27

    Triboelectric charging involves frictional contact of two different materials, and their contact electrification usually relies on polarity difference in the triboelectric series. This limits the choices of materials for triboelectric contact pairs, hindering research and development of energy harvest devices utilizing triboelectric effect. A progressive approach to resolve this issue involves modification of chemical structures of materials for effectively engineering their triboelectric properties. Here, we describe a facile method to change triboelectric property of a polymeric surface via atomic-level chemical functionalizations using a series of halogens and amines, which allows a wide spectrum of triboelectric series over single material. Using this method, tunable triboelectric output power density is demonstrated in triboelectric generators. Furthermore, molecular-scale calculation using density functional theory unveils that electrons transferred through electrification are occupying the PET group rather than the surface functional group. The work introduced here would open the ability to tune triboelectric property of materials by chemical modification of surface and facilitate the development of energy harvesting devices and sensors exploiting triboelectric effect.

  9. Excitation energies, oscillator strengths, and lifetimes of levels along the gold isoelectronic sequence

    NASA Astrophysics Data System (ADS)

    Safronova, U. I.; Johnson, W. R.

    2004-05-01

    Energies of n s1/2 ( n=6-9 ) , n pj ( n=6-8 ) , n dj ( n=6-7 ) , and 5 fj states in neutral Au and Au-like ions with nuclear charges Z=80 83 are calculated using relativistic many-body perturbation theory. Reduced matrix elements, oscillator strengths, transition rates and lifetimes are determined for the 30 possible n lj - n' l 'j' electric-dipole transitions. Results for a limited number states n s1/2 , n pj ( n=6 7 ) and 6 dj are obtained in the relativistic single-double (SD) approximation, where single and double excitations of Dirac-Fock wave functions are included to all orders in perturbation theory. Using SD wave functions, accurate values are obtained for energies of the eight lowest states and for the fourteen possible electric-dipole matrix elements between these states. With the aid of the SD wave functions, we also determine transition rates and oscillator strengths for the fourteen transitions together with lifetimes of 6 pj , 7 pj , and 6 dj levels. We investigate the hyperfine structure in Hg II and Tl III . The hyperfine A values are determined for 6 s1/2 and 6 pj states in 199 Hg+ , 201 Hg+ , and 205 Tl2+ isotopes. These calculations provide a theoretical benchmark for comparison with experiment and theory.

  10. Crystal field analysis of rare-earth ions energy levels in GaN

    NASA Astrophysics Data System (ADS)

    Stachowicz, M.; Kozanecki, A.; Ma, C.-G.; Brik, M. G.; Lin, J. Y.; Jiang, Hx; Zavada, J. M.

    2014-11-01

    Much effort has been put to achieve optoelectronic devices based on Er doped GaN, operating on the intra-4f-shell transitions of erbium. The key issue for good understanding of energy transfer mechanisms to Er and its luminescence properties is the position of Er3+ ions in the crystalline lattice of GaN. After doping, Er3+ ions are assumed to be placed in substitutional position for Ga3+ in GaN. Although Ga is positioned in high symmetry, tetrahedral [ErN4]9 - cluster, deviations from this after doping are impossible to avoid because of a large difference in ionic radii of Ga3+ (47 pm) and Er3+ (89 pm). In this work we report on crystal field analysis of Er ion energy levels in cubic and hexagonal GaN. It is shown that local symmetry of Er in cubic GaN is D2, whereas calculations reveal that in hexagonal GaN local symmetry is C3V. Some trends in crystal field parameters of trivalent lanthanides in hexagonal GaN are discussed.

  11. Wavelengths, energy levels and hyperfine structure of Mn II and Sc II.

    NASA Astrophysics Data System (ADS)

    Nave, Gillian; Pickering, Juliet C.; Townley-Smith, Keeley I. M.; Hala, .

    2015-08-01

    For many decades, the Atomic Spectroscopy Groups at the National Institute of Standards and Technology (NIST) and Imperial College London (ICL) have measured atomic data of astronomical interest. Our spectrometers include Fourier transform (FT) spectrometers at NIST and ICL covering the region 1350 Å to 5.5 μm and a 10.7-m grating spectrometer at NIST covering wavelengths from 300 - 5000 Å. Sources for these spectra include high-current continuous and pulsed hollow cathode (HCL) lamps, Penning discharges, and sliding spark discharges. Recent work has focused on the measurement and analysis of wavelengths, energy levels, and hyperfine structure (HFS) constants for iron-group elements. The analysis of FT spectra of Cr I, Mn I, and Mn II is being led by ICL and is described in a companion poster [1]. Current work being led by NIST includes the analysis of HFS in Mn II, analysis of Mn II in the vacuum ultraviolet, and a comprehensive analysis of Sc II.Comprehensive HFS constants for Mn II are needed for the interpretation of stellar spectra and incorrect abundances may be obtained when HFS is omitted. Holt et al. [2] have measured HFS constants for 59 levels of Mn II using laser spectroscopy. We used FT spectra of Mn/Ni and Mn/Cu HCLs covering wavelength ranges from 1350 Å to 5.4 μm to confirm 26 of the A constants of Holt et al. and obtain values for roughly 40 additional levels. We aim to obtain HFS constants for the majority of lines showing significant HFS that are observed in chemically-peculiar stars.Spectra of Sc HCLs have been recorded from 1800 - 6700 Å using a vacuum ultraviolet FT spectrometer at NIST. Additional measurements to cover wavelengths above 6700 Å and below 1800 Å are in progress. The spectra are being analyzed by NIST and Alighar Muslim University, India in order to derive improved wavelengths, energy levels, and hyperfine structure parameters.This work was partially supported by NASA, the STFC and PPARC (UK), the Royal Society of the UK

  12. Effect of dietary energy levels and phase feeding by protein levels on growth performance, blood profiles and carcass characteristics in growing-finishing pigs.

    PubMed

    Hong, J S; Lee, G I; Jin, X H; Kim, Y Y

    2016-01-01

    Providing of insufficient nutrients limits the potential growth of pig, while feeding of excessive nutrients increases the economic loss and causes environment pollution. For these reasons, phase feeding had been introduced in swine farm for improving animal production. This experiment was conducted to evaluate the effects of dietary energy levels and phase feeding by protein levels on growth performance, blood profiles and carcass characteristics in growing-finishing pigs. A total of 128 growing pigs ([Yorkshire × Landrace] × Duroc), averaging 26.62 ± 3.07 kg body weight, were assigned in a 2 × 4 factorial arrangement with 4 pigs per pen. The first factor was two dietary energy level (3,265 kcal of ME/kg or 3,365 kcal of ME/kg), and the second factor was four different levels of dietary protein by phase feeding (1growing(G)-2finishing(F) phases, 2G-2F phases, 2G-3F phases and 2G-3F phases with low CP requirement). In feeding trial, there was no significant difference in growth performance. The BUN concentration was decreased as dietary protein level decreased in 6 week and blood creatinine was increased in 13 week when pigs were fed diets with different dietary energy level. The digestibility of crude fat was improved as dietary energy levels increased and excretion of urinary nitrogen was reduced when low protein diet was provided. Chemical compositions of longissimus muscle were not affected by dietary treatments. In backfat thickness (P2) at 13 week, pigs fed high energy diet had thicker backfat thickness (P = 0.06) and pigs fed low protein diet showed the trend of backfat thinness reduction (P = 0.09). In addition, water holding capacity was decreased (P = 0.01) and cooking loss was increased (P = 0.07) as dietary protein level reduced. When pigs were fed high energy diet with low subdivision of phase feeding, days to 120 kg market weight was reached earlier compared to other treatments. Feeding the low energy diet

  13. VizieR Online Data Catalog: New FeI level energies from stellar spectra (Peterson+, 2015)

    NASA Astrophysics Data System (ADS)

    Peterson, R. C.; Kurucz, R. L.

    2015-02-01

    The spectrum of the Fe I atom is critical to many areas of astrophysics and beyond. Measurements of the energies of its high-lying levels remain woefully incomplete, however, despite extensive laboratory and solar analysis. In this work, we use high-resolution archival absorption-line ultraviolet and optical spectra of stars whose warm temperatures favor moderate Fe I excitation. We derive the energy for a particular upper level in Kurucz's semiempirical calculations by adopting a trial value that yields the same wavelength for a given line predicted to be about as strong as that of a strong unidentified spectral line observed in the stellar spectra, then checking the new wavelengths of other strong predicted transitions that share the same upper level for coincidence with other strong observed unidentified lines. To date, this analysis has provided the upper energies of 66 Fe I levels. Many new energy levels are higher than those accessible to laboratory experiments; several exceed the Fe I ionization energy. These levels provide new identifications for over 2000 potentially detectable lines. Almost all of the new levels of odd parity include UV lines that were detected but unclassified in laboratory Fe I absorption spectra, providing an external check on the energy values. We motivate and present the procedure, provide the resulting new energy levels and their uncertainties, list all the potentially detectable UV and optical new Fe I line identifications and their gf values, point out new lines of astrophysical interest, and discuss the prospects for additional Fe I energy level determinations. (3 data files).

  14. Isolated energy level in the band gap of Yb2Si2O7 identified by electron energy-loss spectroscopy

    NASA Astrophysics Data System (ADS)

    Ogawa, Takafumi; Kobayashi, Shunsuke; Wada, Masashi; Fisher, Craig A. J.; Kuwabara, Akihide; Kato, Takeharu; Yoshiya, Masato; Kitaoka, Satoshi; Moriwake, Hiroki

    2016-05-01

    We report the detection of an isolated energy level in the band gap of crystalline Yb2Si2O7 in the low-energy-loss region of its electron energy-loss (EEL) spectrum, obtained using a monochromated scanning transmission electron microscope. The experimental results are corroborated by first-principles calculations of the theoretical EEL spectrum. The calculations reveal that unoccupied Yb 4 f orbitals constitute an isolated energy level about 1 eV below the conduction band minimum (CBM), resulting in a terrace about 1 eV wide at the band edge of the EEL spectrum. In the case of Yb2O3 , no band edge terrace is present because the unoccupied f level lies just below the CBM. We also examined optical absorption properties of Yb2Si2O7 using UV-vis diffuse reflectance spectroscopy, which shows that the isolated energy level could not be detected in the band edge of the obtained absorbance spectrum. These findings demonstrate the utility of low-loss EEL spectroscopy with high energy resolution for probing semilocalized electronic features.

  15. The cyclopropene radical cation: Rovibrational level structure at low energies from high-resolution photoelectron spectra

    SciTech Connect

    Vasilatou, K.; Michaud, J. M.; Baykusheva, D.; Grassi, G.; Merkt, F.

    2014-08-14

    The cyclopropene radical cation (c-C{sub 3}H{sub 4}{sup +}) is an important but poorly characterized three-membered-ring hydrocarbon. We report on a measurement of the high-resolution photoelectron and photoionization spectra of cyclopropene and several deuterated isotopomers, from which we have determined the rovibrational energy level structure of the X{sup ~+} {sup 2}B{sub 2} ground electronic state of c-C{sub 3}H{sub 4}{sup +} at low energies for the first time. The synthesis of the partially deuterated isotopomers always resulted in mixtures of several isotopomers, differing in their number of D atoms and in the location of these atoms, so that the photoelectron spectra of deuterated samples are superpositions of the spectra of several isotopomers. The rotationally resolved spectra indicate a C{sub 2v}-symmetric R{sub 0} structure for the ground electronic state of c-C{sub 3}H{sub 4}{sup +}. Two vibrational modes of c-C{sub 3}H{sub 4}{sup +} are found to have vibrational wave numbers below 300 cm{sup −1}, which is surprising for such a small cyclic hydrocarbon. The analysis of the isotopic shifts of the vibrational levels enabled the assignment of the lowest-frequency mode (fundamental wave number of ≈110 cm{sup −1} in c-C{sub 3}H{sub 4}{sup +}) to the CH{sub 2} torsional mode (ν{sub 8}{sup +}, A{sub 2} symmetry) and of the second-lowest-frequency mode (≈210 cm{sup −1} in c-C{sub 3}H{sub 4}{sup +}) to a mode combining a CH out-of-plane with a CH{sub 2} rocking motion (ν{sub 15}{sup +}, B{sub 2} symmetry). The potential energy along the CH{sub 2} torsional coordinate is flat near the equilibrium structure and leads to a pronounced anharmonicity.

  16. Effect of amputation level on energy expenditure during overground walking by children with an amputation.

    PubMed

    Jeans, Kelly A; Browne, Richard H; Karol, Lori A

    2011-01-05

    The oxygen cost of walking by adults with an amputation has been well described, but few studies have focused on this parameter in children who have had an amputation. Children with a transtibial amputation have been reported to maintain walking speed at a 15% higher oxygen cost than able-bodied children. The purpose of this study was to determine if the level of amputation in children has a differential impact on the self-selected speed of walking and the oxygen cost, and how the performance of these children compares with that of a group of able-bodied children. Seventy-three children who had had an amputation participated in this study. Oxygen consumption was measured with a Cosmed K4b2 oxygen analysis telemetry unit (Rome, Italy) as the participants walked overground for ten minutes at a self-selected speed. One minute of steady-state data were reduced, averaged, and standardized to control values. Children with a unilateral amputation were grouped according to the level of the amputation; there were twenty-nine Syme, thirteen transtibial, fourteen knee disarticulation, five transfemoral, and five hip disarticulation amputations. Seven children had had a bilateral amputation, and they were considered as a separate group. Comparisons were made among the five amputation groups and between all children who had undergone amputation and control subjects. The variables that were analyzed were resting VO(2) rate (mL/kg/min), resting heart rate (beats per minute [bpm]), walking VO(2) rate (mL/kg/min), walking VO(2) cost (mL/kg/m), walking heart rate (bpm), and self-selected walking velocity (m/min). Unilateral transfemoral and hip disarticulation amputations resulted in significantly reduced walking speed (80% and 72% of normal, respectively) and increased VO(2) cost (151% and 161% of normal, respectively), while the heart rate was significantly increased in the hip disarticulation group (124% of normal). Compared with the controls, the children with a bilateral

  17. Exploring the energy landscape of the charge transport levels in organic semiconductors at the molecular scale.

    PubMed

    Cornil, J; Verlaak, S; Martinelli, N; Mityashin, A; Olivier, Y; Van Regemorter, T; D'Avino, G; Muccioli, L; Zannoni, C; Castet, F; Beljonne, D; Heremans, P

    2013-02-19

    strongly interacting electron-hole pairs can potentially escape from their Coulomb well, a process that is at the heart of photoconversion or molecular doping. Yet they do, with near-quantitative yield in some cases. Limited screening by the low dielectric medium in organic materials leads to subtle static and dynamic electronic polarization effects that strongly impact the energy landscape for charges, which offers a rationale for this apparent inconsistency. In this Account, we use different theoretical approaches to predict the energy landscape of charge carriers at the molecular level and review a few case studies highlighting the role of electrostatic interactions in conjugated organic molecules. We describe the pros and cons of different theoretical approaches that provide access to the energy landscape defining the motion of charge carriers. We illustrate the applications of these approaches through selected examples involving OFETs, OLEDs, and solar cells. The three selected examples collectively show that energetic disorder governs device performances and highlights the relevance of theoretical tools to probe energy landscapes in molecular assemblies.

  18. 23 CFR Appendix A to Part 772 - National Reference Energy Mean Emission Levels as a Function of Speed

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... TRANSPORTATION RIGHT-OF-WAY AND ENVIRONMENT PROCEDURES FOR ABATEMENT OF HIGHWAY TRAFFIC NOISE AND CONSTRUCTION NOISE Pt. 772, App. A Appendix A to Part 772—National Reference Energy Mean Emission Levels as a...

  19. Energy level alignment at C60/DTDCTB/PEDOT:PSS interfaces in organic photovoltaics

    NASA Astrophysics Data System (ADS)

    Yoo, Jisu; Jung, Kwanwook; Jeong, Junkyeong; Hyun, Gyeongho; Lee, Hyunbok; Yi, Yeonjin

    2017-04-01

    The electronic structure of a narrow band gap small molecule ditolylaminothienyl-benzothiadiazole-dicyanovinylene (DTDCTB), possessing a donor-acceptor-acceptor configuration, was investigated with regard to its application as an efficient donor material in organic photovoltaics (OPVs). The interfacial orbital alignment of C60/DTDCTB/poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) was determined using in situ ultraviolet photoelectron and inverse photoelectron spectroscopic methods. The ionization energy and electron affinity values of DTDCTB were measured to be 5.27 eV and 3.65 eV, respectively, and thus a very small transport gap of 1.62 eV was evaluated. Large band bending of DTDCTB on PEDOT:PSS was observed, resulting in a low hole extraction barrier. Additionally, the photovoltaic gap between the highest occupied molecular orbital level of the DTDCTB donor and the lowest unoccupied molecular orbital level of the C60 acceptor was estimated to be 1.30 eV, which is known to be the theoretical maximum open-circuit voltage in OPVs employing the C60/DTDCTB active layer. The unique electronic structures of DTDCTB contributed toward the recently reported excellent power conversion efficiencies of OPVs containing a DTDCTB donor material.

  20. Levelized cost of energy (LCOE) metric to characterize solar absorber coatings for the CSP industry

    DOE PAGES

    Boubault, Antoine; Ho, Clifford K.; Hall, Aaron; ...

    2015-07-08

    The contribution of each component of a power generation plant to the levelized cost of energy (LCOE) can be estimated and used to increase the power output while reducing system operation and maintenance costs. The LCOE is used in order to quantify solar receiver coating influence on the LCOE of solar power towers. Two new parameters are introduced: the absolute levelized cost of coating (LCOC) and the LCOC efficiency. Depending on the material properties, aging, costs, and temperature, the absolute LCOC enables quantifying the cost-effectiveness of absorber coatings, as well as finding optimal operating conditions. The absolute LCOC is investigatedmore » for different hypothetic coatings and is demonstrated on Pyromark 2500 paint. Results show that absorber coatings yield lower LCOE values in most cases, even at significant costs. Optimal reapplication intervals range from one to five years. At receiver temperatures greater than 700 °C, non-selective coatings are not always worthwhile while durable selective coatings consistently reduce the LCOE—up to 12% of the value obtained for an uncoated receiver. Moreover the absolute LCOC is a powerful tool to characterize and compare different coatings, not only considering their initial efficiencies but also including their durability.« less

  1. Levelized cost of energy (LCOE) metric to characterize solar absorber coatings for the CSP industry

    SciTech Connect

    Boubault, Antoine; Ho, Clifford K.; Hall, Aaron; Lambert, Timothy N.; Ambrosini, Andrea

    2015-07-08

    The contribution of each component of a power generation plant to the levelized cost of energy (LCOE) can be estimated and used to increase the power output while reducing system operation and maintenance costs. The LCOE is used in order to quantify solar receiver coating influence on the LCOE of solar power towers. Two new parameters are introduced: the absolute levelized cost of coating (LCOC) and the LCOC efficiency. Depending on the material properties, aging, costs, and temperature, the absolute LCOC enables quantifying the cost-effectiveness of absorber coatings, as well as finding optimal operating conditions. The absolute LCOC is investigated for different hypothetic coatings and is demonstrated on Pyromark 2500 paint. Results show that absorber coatings yield lower LCOE values in most cases, even at significant costs. Optimal reapplication intervals range from one to five years. At receiver temperatures greater than 700 °C, non-selective coatings are not always worthwhile while durable selective coatings consistently reduce the LCOE—up to 12% of the value obtained for an uncoated receiver. Moreover the absolute LCOC is a powerful tool to characterize and compare different coatings, not only considering their initial efficiencies but also including their durability.

  2. Impacts of static pressure set level on HVAC energy consumption and indoor conditions

    SciTech Connect

    Liu, M.; Zhu, Y.; Claridge, D.E.; White, E.

    1997-12-31

    Air static pressure must be maintained at a certain level leaving the air-handling unit (AHU) to force a suitable amount of air through the terminal boxes. However, an excessive static pressure level is often used due to (1) lack of a control device in a constant-volume (CV) system, (2) a malfunctioning control device in a variable-air-volume (VAV) system, and (3) fear of failure to maintain room temperature. High static pressure often develops excessive damper leakage in older mixing boxes. This results in an appropriate mixing of hot and cold air for dual-duct systems, excessive reheat in single-duct systems, and an excessive amount of air entering the space. Consequently, the actual fan power and heating and cooling energy consumption all become significantly higher than the design values. Even worse, the system may not be able to maintain room conditions due to unwanted simultaneous heating and cooling and may be noisy due to the excessive static pressure. This paper proposed to control the hot duct pressure and the variable-frequency drives (VFDs) to control the fan static, i.e., the cold duct pressure for dual-duct air-handling units. Both a theoretical analysis and results from a case study are presented in this paper.

  3. Energy levels of the Ce activator relative to the YAP(Ce) scintillator host.

    PubMed

    Yu, S-W; Carpenter, M H; Ponce, F; Friedrich, S; Lee, J-S; Olalde-Velasco, P; Yang, W L; Åberg, D

    2015-05-13

    The electronic structure of the cerium-activated yttrium aluminum perovskite [YAP(Ce)] scintillator has been studied by core level x-ray spectroscopy and first-principles calculations. X-ray absorption and emission spectra at the oxygen K-edge of YAP(Ce) and CeO2 have been measured and compared with the calculated partial density of states. With the known band gap of CeO2, the measured oxygen K-edge absorption and emission spectra are used to construct a fixed relation between the valence and conduction bands of YAP and CeO2. This allows us to determine the fundamental band gap of YAP to be 8.1 ± 0.3 eV. A comparison between the cerium M4,5-edges x-ray absorption spectra of the YAP(Ce) and Ce model compounds (CeO2, CeF3, and Ce foils) then shows that the Ce activator is in the desired Ce(3+), with a small fraction of Ce(4+) due to oxidization at the surface. Finally, we determine that the ground state 4f(1) energy level of the Ce(3+) activator lies 1.8 ± 0.5 eV above the top of the valence band of the host YAP.

  4. Effect of Different Energy Levels of Microwave on Disinfection of Dental Stone Casts

    PubMed Central

    Robati Anaraki, Mahmood; Lotfipour, Farzaneh; Moslehifard, Elnaz; Momtaheni, Ali; Sigari, Pooyan

    2013-01-01

    Background and aims Current chemical methods may not efficiently disinfect dental stone casts. The aim of this study was to investigate if microwave irradiation is effective for disinfection of stone casts. Materials and methods In this laboratory study, three groups (n = 162) of prepared spherical stone beads as carriers with a diameter of 10 mm were inoculated by separately soaking in three broth culture media, each containing a study microorganism—Pseudomonas aeruginosa, Staphylococcus aureus or Candida albicans. Six inoculated carriers were used for every test, including irradiation in a household microwave oven at 300, 450, 600 or 900 W energy level, or soaking in 0.03%, 0.06%, 0.12%, 0.25% or 0.50% concentration of sodium hypochlorite solution, at 1, 2, or 3-minute test times. Positive and negative control groups were considered for each test. All treated carriers were then individually transferred to nutrient broth culture medium and one milliliter from each tube was cultured in nutrient agar media over night. Colony forming unit per milliliter (CFU/mL) was counted, and multi-factor ANOVA was used to analyze data (α = 0.05). Results Microwave irradiation at 600 W resulted in high-level disinfection in 3 minutes. Immersion of the stone casts in hypochlorite solution at 0.06% concentration resulted in disinfection after 2 minutes. Conclusion According to the results, high level disinfection of the stone casts can be achieved by microwave irradiation at 600 W in 3 minutes, similar to a validated chemical method. PMID:24082984

  5. Energy.

    ERIC Educational Resources Information Center

    Online-Offline, 1998

    1998-01-01

    This issue focuses on the theme of "Energy," and describes several educational resources (Web sites, CD-ROMs and software, videos, books, activities, and other resources). Sidebars offer features on alternative energy, animal energy, internal combustion engines, and energy from food. Subthemes include harnessing energy, human energy, and…

  6. Energy.

    ERIC Educational Resources Information Center

    Online-Offline, 1998

    1998-01-01

    This issue focuses on the theme of "Energy," and describes several educational resources (Web sites, CD-ROMs and software, videos, books, activities, and other resources). Sidebars offer features on alternative energy, animal energy, internal combustion engines, and energy from food. Subthemes include harnessing energy, human energy, and…

  7. The PANDORA study: peripheral arterial disease in patients with non-high cardiovascular risk.

    PubMed

    Cimminiello, Claudio; Kownator, Serge; Wautrecht, Jean-Claude; Carvounis, Christos P; Kranendonk, Stefanus Eliza; Kindler, Beat; Mangrella, Mario; Borghi, Claudio

    2011-12-01

    Few studies are available with sufficient sample size to accurately describe the prevalence of low ankle-brachial index (ABI) in patients at 'non-high' cardiovascular (CV) risk. The aim of this study was to evaluate the prevalence of asymptomatic peripheral arterial disease (PAD), as determined by using ABI, in this patient population. A non-interventional, cross-sectional, pan-European study was conducted in patients with ≥1 CV risk factor in addition to age, evaluating the prevalence of asymptomatic PAD (ABI ≤ 0.90). Secondary objectives included assessing the prevalence and treatment of CV risk factors. Patients were consecutively recruited during scheduled visits to the physician's office, or were randomly selected by the physician from a list of eligible patients. Patients with diabetes were excluded as this condition was deemed to be a secondary prevention risk. 10,287 patients were enrolled (9,816 evaluable: mean age 64.3 years; 53.5% male). Prevalence of asymptomatic PAD was 17.8% (99% CI 16.84-18.83). Factors significantly associated with asymptomatic PAD included hypertension, age, alcohol intake, family history of coronary heart disease, low levels of high-density lipoprotein-cholesterol, and smoking (p < 0.0001). Patients treated with statins were significantly less likely to have asymptomatic PAD than those who were not (odds ratio 0.62; 95% CI 0.50-0.76; p < 0.0001). Asymptomatic PAD was highly prevalent in patients with non-high CV risk, the majority of whom would not typically be candidates for ABI assessment. These patients should be carefully screened, and ABI measured, so that therapeutic interventions known to diminish their increased CV risk may be offered.

  8. Estimation of vertical sea level muon energy spectra from the latest primary cosmic ray elemental spectra

    NASA Astrophysics Data System (ADS)

    Mitra, M.; Molla, N. H.; Bhattacharyya, D. P.

    The directly measured elemental spectra of primary cosmic rays obtained from Webber et al., Seo et al., Menn et al., Ryan et al. and experiments like JACEE, CRN, SOKOL, RICH on P, He, CNO, Ne-S and Fe have been considered to estimate the vertical sea level muon energy spectra. The primary elemental energy spectra of P, He, CNO, Ne-S and Fe available from the different experimental data duly fitted by power law are given by Np(E)dE = 1.2216E-2.68 dE [cm2 .s.sr.GeV/n]-1 NHe(E)dE = 0.0424E-2.59 dE [cm2 .s.sr.GeV/n]-1 NCNO(E)dE = 0.0026E-2.57 dE[cm2 .s.sr.GeV/n]-1 NNe-S(E)dE = 0.00066E-2.57 dE [cm2 .s.sr.GeV/n]-1 NF e(E)dE = 0.0056E-2.55 dE [cm2 .s.sr.GeV/n]-1 Using the conventional superposition model the all nucleon primary cosmic ray spectrum has been derived which is of the form N(E)dE = 1.42E-2.66 dE [cm2 .s.sr.GeV/n]-1 We have considered all these spectra separately as parents of the secondary mesons and finallty the sea level muon fluxes at 00 from each species have been derived. To evaluate the meson spectra which are the initial air shower interaction products initiated by the primary nucleon air collisions, the hadronic energy moments have been calculated from the CERN LEBCEHS data for pp collisions and FNAL data for πp collisions. Pion production by secondary pions have been taken into account and the final total muon spectrum has been derived from pp rightarrowπ± x, pp → K± x, πp → π± x channels. The Z-factors have been corrected for p-air collisions. We have adopted the constant values of σp-air and σπ-air crosssections which are 273 mb and 213 mb, respectively. The adopted inelastic cross-sections for pp and πp interactions are 35 mb and 22 mb, respectively. The Q-G plasma correction of Z-factors have also been incorporated in the final form. The solution to the standard differential equation for mesons is considered for muon flux estimation from Ngenerations of the parent mesons. By this formulation vertical muon spectra from each element

  9. Electron-phonon interaction effect on the energy levels and diamagnetic susceptibility of quantum wires: Parallelogram and triangle cross section

    SciTech Connect

    Khordad, R. Bahramiyan, H.

    2014-03-28

    In this paper, optical phonon modes are studied within the framework of dielectric continuum approach for parallelogram and triangular quantum wires, including the derivation of the electron-phonon interaction Hamiltonian and a discussion on the effects of this interaction on the electronic energy levels. The polaronic energy shift is calculated for both ground-state and excited-state electron energy levels by applying the perturbative approach. The effects of the electron-phonon interaction on the expectation value of r{sup 2} and diamagnetic susceptibility for both quantum wires are discussed.

  10. Energy levels and far-infrared optical absorption of impurity doped semiconductor nanorings: Intense laser and electric fields effects

    NASA Astrophysics Data System (ADS)

    Barseghyan, M. G.

    2016-11-01

    The effects of electron-impurity interaction on energy levels and far-infrared absorption in semiconductor nanoring under the action of intense laser and lateral electric fields have been investigated. Numerical calculations are performed using exact diagonalization technique. It is found that the electron-impurity interaction and external fields change the energy spectrum dramatically, and also have significant influence on the absorption spectrum. Strong dependence on laser field intensity and electric field of lowest energy levels, also supported by the Coulomb interaction with impurity, is clearly revealed.

  11. Blinking fluorescence of single donor-acceptor pairs: important role of "dark'' states in resonance energy transfer via singlet levels.

    PubMed

    Osad'ko, I S; Shchukina, A L

    2012-06-01

    The influence of triplet levels on Förster resonance energy transfer via singlet levels in donor-acceptor (D-A) pairs is studied. Four types of D-A pair are considered: (i) two-level donor and two-level acceptor, (ii) three-level donor and two-level acceptor, (iii) two-level donor and three-level acceptor, and (iv) three-level donor and three-level acceptor. If singlet-triplet transitions in a three-level acceptor molecule are ineffective, the energy transfer efficiency E=I_{A}/(I_{A}+I_{D}), where I_{D} and I_{A} are the average intensities of donor and acceptor fluorescence, can be described by the simple theoretical equation E(F)=FT_{D}/(1+FT_{D}). Here F is the rate of energy transfer, and T_{D} is the donor fluorescence lifetime. In accordance with the last equation, 100% of the donor electronic energy can be transferred to an acceptor molecule at FT_{D}≫1. However, if singlet-triplet transitions in a three-level acceptor molecule are effective, the energy transfer efficiency is described by another theoretical equation, E(F)=F[over ¯](F)T_{D}/[1+F[over ¯](F)T_{D}]. Here F[over ¯](F) is a function of F depending on singlet-triplet transitions in both donor and acceptor molecules. Expressions for the functions F[over ¯](F) are derived. In this case the energy transfer efficiency will be far from 100% even at FT_{D}≫1. The character of the intensity fluctuations of donor and acceptor fluorescence indicates which of the two equations for E(F) should be used to find the value of the rate F. Therefore, random time instants of photon emission in both donor and acceptor fluorescence are calculated by the Monte Carlo method for all four types of D-A pair. Theoretical expressions for start-stop correlators (waiting time distributions) in donor and acceptor fluorescence are derived. The probabilities w_{N}^{D}(t) and w_{N}^{A}(t) of finding N photons of donor and acceptor fluorescence in the time interval t are calculated for various values of the energy

  12. Bone mineral density level by dual energy X-ray absorptiometry in rheumatoid arthritis.

    PubMed

    Makhdoom, Asadullah; Rahopoto, Muhammad Qasim; Awan, Shazia; Tahir, Syed Muhammad; Memon, Shazia; Siddiqui, Khaleeque Ahmed

    2017-01-01

    To observe the level of bone mineral density by Dual Energy X-ray Absorptiometry in rheumatoid arthritis patients. The observational study was conducted at Liaquat University of Medical and Health Sciences, Jamshoro, Pakistan, from January 2011 to December 2014. Bone mineral density was measured from the femoral neck, ward's triangle and lumbar spine, in patients 25-55 years of age, who were diagnosed with rheumatoid arthritis. All the cases were assessed for bone mineral density from appendicular as well as axial skeleton. Data was collected through a designed proforma and analysis was performed using SPSS 21. Of the 229 rheumatoid arthritis patients, 33(14.4%) were males. Five (15.1%) males had normal bone density, 14(42.4%) had osteopenia and 14(42.4%) had osteoporosis. Of the 196(85.5%) females, 45(29.9%) had normal bone density, 72 (37.7%) had osteopenia and 79(40.30%) had osteoporosis. Of the 123(53.7%) patients aged 30-50 years, 38(30.9%) had normal bone density, 59(48.0%) had osteopenia, and 26(21.1%) had osteoporosis. Of the 106(46.3%) patients over 50 years, 12(11.3%) had normal bone density, 27 (25.5%) had osteopenia and 67(63.2%) had osteoporosis. Osteoporosis and osteopenia were most common among rheumatoid arthritis patients. Assessment of bone mineral density by Dual Energy X-ray Absorptiometry can lead to quick relief in the clinical symptoms with timely therapy.

  13. Excitation energies, oscillator strengths, and lifetimes of levels along the gold isoelectronic sequence

    SciTech Connect

    Safronova, U.I.; Johnson, W.R.

    2004-05-01

    Energies of ns{sub 1/2}(n=6-9), np{sub j}(n=6-8), nd{sub j}(n=6-7), and 5f{sub j} states in neutral Au and Au-like ions with nuclear charges Z=80-83 are calculated using relativistic many-body perturbation theory. Reduced matrix elements, oscillator strengths, transition rates and lifetimes are determined for the 30 possible nl{sub j}-n{sup '}l{sub j{sup '}}{sup '} electric-dipole transitions. Results for a limited number states, ns{sub 1/2}, np{sub j}(n=6-7) and 6d{sub j} are obtained in the relativistic single-double (SD) approximation, where single and double excitations of Dirac-Fock wave functions are included to all orders in perturbation theory. Using SD wave functions, accurate values are obtained for energies of the eight lowest states and for the fourteen possible electric-dipole matrix elements between these states. With the aid of the SD wave functions, we also determine transition rates and oscillator strengths for the fourteen transitions together with lifetimes of 6p{sub j}, 7p{sub j}, and 6d{sub j} levels. We investigate the hyperfine structure in Hg II and Tl III. The hyperfine A values are determined for 6s{sub 1/2} and 6p{sub j} states in {sup 199}Hg{sup +}, {sup 201}Hg{sup +}, and {sup 205}Tl{sup 2+} isotopes. These calculations provide a theoretical benchmark for comparison with experiment and theory.

  14. [Estimation of the energy needs at the national level: use of the FAO/WHO/UNU 1985 approach].

    PubMed

    Uauy, R; Boj, M T

    1988-09-01

    This paper analyzes the methodology proposed by FAO/WHO/UNU 1985 to determine energy requirements and recommendations for population groups. The physiological basis for individual requirements and the components to estimate the energy expenditure of population groups, are presented. This new approach requires a detailed knowledge of the distribution of the population by sex, age and level of physical activity. In the absence of physical activity data the distribution by employment category may be used. Our study suggests characterizing the population through the use of biotypes, according to sex, age and level of physical activity. This new approach also requires the knowledge of weight and height of a representative sample of the population. The planner should also consider a desirable level of physical activity for the population, and decide if the energy recommendation should optimize the weight and height of individuals to promote improved physical well being and health status. The application of this approach to a specific country in Latin America revealed that the available data are insufficient for an adequate estimation of energy needs of the population. Nevertheless, results suggest that the energy gaps for urban sedentary groups are less than those calculated using the traditional FAO/WHO 1973 reference pattern. The energy needs of the countries in the Region will increase as the infant population improves physical development more in accordance with the full expression of their genetic endowment. Further increases in energy needs are estimated as the general population increases the level of discretionary physical activity.

  15. Building America Residential System Research Results: Achieving 30% Whole House Energy Savings Level in Marine Climates; January 2006 - December 2006

    SciTech Connect

    Building America Industrialized Housing Partnership; Building Industry Research Alliance; Building Science Consortium; Consortium for Advanced Residential Buildings; Davis Energy Group; IBACOS; National Association of Home Builders Research Center; National Renewable Energy Laboratory

    2006-12-01

    The Building America program conducts the system research required to reduce risks associated with the design and construction of homes that use an average of 30% to 90% less total energy for all residential energy uses than the Building America Research Benchmark, including research on homes that will use zero net energy on annual basis. To measure the program's progress, annual research milestones have been established for five major climate regions in the United States. The system research activities required to reach each milestone take from 3 to 5 years to complete and include research in individual test houses, studies in pre-production prototypes, and research studies with lead builders that provide early examples that the specified energy savings level can be successfully achieved on a production basis. This report summarizes research results for the 30% energy savings level and demonstrates that lead builders can successfully provide 30% homes in the Marine Climate Region on a cost neutral basis.

  16. Age at puberty, ovulation rate, and reproductive tract traits of developing gilts fed two lysine levels and three metabolizable energy levels from 100 to 260 d of age

    USDA-ARS?s Scientific Manuscript database

    The objective of this study was to determine the effect of feeding different lysine and metabolizable energy (ME) levels to developing gilts on age at puberty and reproductive tract measurements. Crossbred Large White × Landrace gilts (n = 1221) housed in groups from 100 d of age until slaughter (ap...

  17. Sensory profile of a model energy drink with varying levels of functional ingredients-caffeine, ginseng, and taurine.

    PubMed

    Tamamoto, Lauren C; Schmidt, Shelly J; Lee, Soo-Yeun

    2010-08-01

    Energy drinks have increased in popularity in recent years due to the claimed energy boost provided by functional ingredients. A multitude of functional ingredients have been utilized; however, there is limited research on their sensory effects in energy drink formulations. A 13-member descriptive analysis panel was conducted to investigate the effects on the sensory and rheological properties of 3 common functional ingredients-caffeine, ginseng, and taurine-in a noncarbonated model energy drink solution. Combinations of these functional ingredients at 3 levels (low, medium, high) were added to create a total of 27 different solutions (3 x 3 x 3 factorial design). Analysis of variance was performed to evaluate the sensory effects of the varying concentrations of functional ingredients in solution. Principal component analysis (PCA) was performed to summarize the relationship among the attributes and solutions. In general, high levels of caffeine in solution resulted in low ratings of fruity attributes and high ratings of bitter tea and fruit bitter attributes. The high level of ginseng in solution was characterized by high ratings of bitter attributes. A horns effect was observed as the sweet, artificial lemon-lime, pear, mango, and pineapple attributes were rated lower in intensity with increased ginseng levels. Taurine levels of up to 416 mg/100 mL had no significant effect on the sensory attribute ratings of the model energy drink solutions. These findings can be utilized to predict the changes in sensory characteristics when formulating energy drinks containing these popular functional ingredients.

  18. Differences between observed and predicted energy costs at rest and during exercise in three subsistence-level populations.

    PubMed

    Katzmarzyk, P T; Leonard, W R; Stephen, M A; Berti, P R; Ross, A G

    1996-04-01

    Estimates of daily energy expenditure are important for many areas of research in human ecology and adaptability. The most common technique for estimating human energy expenditure under field conditions, the factorial method, generally relies on activity-specific energy costs derived from published sources, based largely on North American and European subjects. There is concern that such data may not be appropriate for non-Western populations because of differences in metabolic costs. The present study addresses this concern by comparing measured vs. predicted energy costs at rest and during sub-maximal exercise in 83 subjects (52 males, 31 females) from three subsistence-level populations (Siberian herders and highland and coastal Ecuadorian farmers). Energy costs at rest (i.e., lying, sitting and standing) and while performing a standard stepping exercise did not significantly differ among the three groups. However, resting energy costs were significantly elevated over predicted levels (+ 16% in men, + 11% in women), whereas exercising costs were comparable to predicted values (-6% in men, + 3% in women). Elevations in resting energy needs appear to reflect responses to thermal stress. These results indicate that temperature adjustments of resting energy costs are critical for accurately predicting daily energy needs among traditionally living populations.

  19. Non-high-density lipoprotein cholesterol in patients with metabolic syndrome.

    PubMed

    Huang, Jian; Parish, Roy; Mansi, Ishak; Yu, Herbert; Kennen, Estela M; Davis, Terry; Carden, Donna

    2008-10-01

    Metabolic syndrome (MS) represents a cluster of cardiovascular risk factors that includes hypertriglyceridemia. Although low-density lipoprotein (LDL) cholesterol is the critical therapeutic target in patients with coronary artery disease, LDL cannot be calculated in those with excessive hypertriglyceridemia. Non-high-density lipoprotein (HDL) does not require LDL for calculation and may be an alternative therapeutic target in MS. The purpose of this study was to determine non-HDL cholesterol in relation to other lipid components and comorbidities in MS patients. A cross-sectional chart review on 928 public hospital patients was performed. Metabolic syndrome was present in 53% of all patients. Among those with MS, 87% had triglyceride level of greater than 150 mg/dL, 85% had low HDL, 71% had LDL of greater than 100 mg/dL, and 74% had non-HDL of greater than 130 mg/dL. The level of non-HDL cholesterol, but not total cholesterol or LDL cholesterol, was significantly higher (P < 0.05) and less at goal (P < 0.0001) in patients with MS. Diagnoses of coronary artery disease, hypertension, obesity, dyslipidemia, and diabetes were significantly more prevalent in MS patients (P < 0.0001). Compared with those without MS, non-HDL level was significantly higher and undertargeted in patients with MS, in parallel with significantly higher prevalence of comorbidities.

  20. Energy Level Tuning of Poly(phenylene-alt-dithienobenzothiadiazole)s for Low Photon Energy Loss Solar Cells.

    PubMed

    Heuvel, Ruurd; van Franeker, Jacobus J; Janssen, René A J

    2017-03-01

    Six poly(phenylene-alt-dithienobenzothiadiazole)-based polymers have been synthesized for application in polymer-fullerene solar cells. Hydrogen, fluorine, or nitrile substitution on benzo-thiadiazole and alkoxy or ester substitution on the phenylene moiety are investigated to reduce the energy loss per converted photon. Power conversion efficiencies (PCEs) up to 6.6% have been obtained. The best performance is found for the polymer-fullerene combination with distinct phase separation and crystalline domains. This improves the maximum external quantum efficiency for charge formation and collection to 66%. The resulting higher photocurrent compensates for the relatively large energy loss per photon (Eloss = 0.97 eV) in achieving a high PCE. By contrast, the poly-mer that provides a reduced energy loss (Eloss = 0.49 eV) gives a lower photocurrent and a reduced PCE of 1.8% because the external quantum efficiency of 17% is limited by a suboptimal morphology and a reduced driving force for charge transfer.