Highly accurate potential energy surface, dipole moment surface, rovibrational energy levels, and infrared line list for {sup 32}S{sup 16}O{sub 2} up to 8000 cm{sup −1}

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

Huang, Xinchuan, E-mail: Xinchuan.Huang-1@nasa.gov, E-mail: Timothy.J.Lee@nasa.gov; Schwenke, David W., E-mail: David.W.Schwenke@nasa.gov; Lee, Timothy J., E-mail: Xinchuan.Huang-1@nasa.gov, E-mail: Timothy.J.Lee@nasa.gov

2014-03-21

A purely ab initio potential energy surface (PES) was refined with selected {sup 32}S{sup 16}O{sub 2} HITRAN data. Compared to HITRAN, the root-mean-squares error (σ{sub RMS}) for all J = 0–80 rovibrational energy levels computed on the refined PES (denoted Ames-1) is 0.013 cm{sup −1}. Combined with a CCSD(T)/aug-cc-pV(Q+d)Z dipole moment surface (DMS), an infrared (IR) line list (denoted Ames-296K) has been computed at 296 K and covers up to 8000 cm{sup −1}. Compared to the HITRAN and CDMS databases, the intensity agreement for most vibrational bands is better than 85%–90%. Our predictions for {sup 34}S{sup 16}O{sub 2} band origins,more » higher energy {sup 32}S{sup 16}O{sub 2} band origins and missing {sup 32}S{sup 16}O{sub 2} IR bands have been verified by most recent experiments and available HITRAN data. We conclude that the Ames-1 PES is able to predict {sup 32/34}S{sup 16}O{sub 2} band origins below 5500 cm{sup −1} with 0.01–0.03 cm{sup −1} uncertainties, and the Ames-296K line list provides continuous, reliable and accurate IR simulations. The K{sub a}-dependence of both line position and line intensity errors is discussed. The line list will greatly facilitate SO{sub 2} IR spectral experimental analysis, as well as elimination of SO{sub 2} lines in high-resolution astronomical observations.« less

Self-energy effect and Coulomb potential modulation of the exciton in monolayer MoS2 on polar substrate

NASA Astrophysics Data System (ADS)

Wang, Zi-Wu; Xiao, Yao; Li, Run-Ze; Li, Wei-Ping; Li, Zhi-Qing

2017-11-01

We theoretically investigate the correction of exciton binding energy in monolayer MoS2 resulting from the exciton couples with surface optical (SO) phonons induced by polar substrate. The total correction of binding energy can be divided into the self-energy effect and modification of Coulomb potential using the unitary transformation method. We find that both the self-energy and Coulomb potential vary from tens of meV to several hundreds of meV depending on the cut-off wave vector of SO phonon modes, polarizability of substrate materials and internal distance between the monolayer MoS2 and polar substrate. An effective Coulomb potential is obtained by combining the modified term into the Coulomb potential. This potentially could be widely used in various two-dimensional materials. Our theoretical results not only propose the ways to externally control the exciton binding energy in experiment, but also enrich the understanding of the exciton properties in the dielectric environment.

NEUTRON ENERGY LEVELS IN A DIFFUSE POTENTIAL

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

Ghosh, A.; Sil, N.C.

1960-06-01

The energy eigenvalues of neutrons within the nucleus for a spherically symmetrical potential V(r) = --V/sub 0/STAl + exp{(r-- R)/a}!/sup -1/ are investigated by following a new method of Lanczos for solving the differential equation. The s- and p-state energy levels are calculated for atomic mass 200 with the values of parameters adopted by Feshbach et al. in their calculation of the neutron strength function with a similar potential. The results of the calculation agree closely with those of Malenka. (auth)

Computed potential energy surfaces for chemical reactions

NASA Technical Reports Server (NTRS)

Walch, Stephen P.

1988-01-01

The minimum energy path for the addition of a hydrogen atom to N2 is characterized in CASSCF/CCI calculations using the (4s3p2d1f/3s2p1d) basis set, with additional single point calculations at the stationary points of the potential energy surface using the (5s4p3d2f/4s3p2d) basis set. These calculations represent the most extensive set of ab initio calculations completed to date, yielding a zero point corrected barrier for HN2 dissociation of approx. 8.5 kcal mol/1. The lifetime of the HN2 species is estimated from the calculated geometries and energetics using both conventional Transition State Theory and a method which utilizes an Eckart barrier to compute one dimensional quantum mechanical tunneling effects. It is concluded that the lifetime of the HN2 species is very short, greatly limiting its role in both termolecular recombination reactions and combustion processes.

Spectroscopic properties of the S1 state of linear carotenoids after excess energy excitation

NASA Astrophysics Data System (ADS)

Kuznetsova, Valentyna; Southall, June; Cogdell, Richard J.; Fuciman, Marcel; Polívka, Tomáš

2017-09-01

Properties of the S1 state of neurosporene, spheroidene and lycopene were studied after excess energy excitation in the S2 state. Excitation of carotenoids into higher vibronic levels of the S2 state generates excess vibrational energy in the S1 state. The vibrationally hot S1 state relaxes faster when carotenoid is excited into the S2 state with excess energy, but the S1 lifetime remains constant regardless of which vibronic level of the S2 state is excited. The S∗ signal depends on excitation energy only for spheroidene, which is likely due to asymmetry of the molecule, facilitating conformations responsible for the S∗ signal.

Energy Efficiency Potential in the U.S. Single-Family Housing Stock

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

Wilson, Eric J.; Christensen, Craig B.; Horowitz, Scott G.

Typical approaches for assessing energy efficiency potential in buildings use a limited number of prototypes, and therefore suffer from inadequate resolution when pass-fail cost-effectiveness tests are applied, which can significantly underestimate or overestimate the economic potential of energy efficiency technologies. This analysis applies a new approach to large-scale residential energy analysis, combining the use of large public and private data sources, statistical sampling, detailed building simulations, and high-performance computing to achieve unprecedented granularity - and therefore accuracy - in modeling the diversity of the single-family housing stock. The result is a comprehensive set of maps, tables, and figures showing themore » technical and economic potential of 50 plus residential energy efficiency upgrades and packages for each state. Policymakers, program designers, and manufacturers can use these results to identify upgrades with the highest potential for cost-effective savings in a particular state or region, as well as help identify customer segments for targeted marketing and deployment. The primary finding of this analysis is that there is significant technical and economic potential to save electricity and on-site fuel use in the single-family housing stock. However, the economic potential is very sensitive to the cost-effectiveness criteria used for analysis. Additionally, the savings of particular energy efficiency upgrades is situation-specific within the housing stock (depending on climate, building vintage, heating fuel type, building physical characteristics, etc.).« less

Energy savings potential from improved building controls for the US commercial building sector

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

Fernandez, Nick; Katipamula, Srinivas; Wang, Weimin

The U.S. Department of Energy’s (DOE’s) Building Technologies Office (BTO) sponsored a study to determine the potential national savings achievable in the commercial building sector through widespread deployment of best practice controls, elimination of system and component faults, and use of better sensing. Detailed characterization of potential savings was one source of input to set research, development, and deployment (RD&D) goals in the field of building sensors and controls. DOE’s building energy simulation software, EnergyPlus, was employed to estimate the potential savings from 34 measures in 9 building types and across 16 climates representing almost 57% of commercial building sectormore » energy consumption. In addition to estimating savings from individual measures, three packages of measures were created to estimate savings from the packages. These packages represented an 1) efficient building, 2) typical building, and 3) inefficient building. To scale the results from individual measures or a package to the national scale, building weights by building type and climate locations from the Energy Information Administration’s 2012 Commercial Building Energy Consumption Survey (CBECS) were used. The results showed significant potential for energy savings across all building types and climates. The total site potential savings from individual measures by building type and climate location ranged between 0% and 25%. The total site potential savings by building type aggregated across all climates (using the CBECS building weights) for each measure varied between 0% and 16%. The total site potential savings aggregated across all building types and climates for each measure varied between 0% and 11%. Some individual measures had negative savings because correcting underlying operational problems (e.g., inadequate ventilation) resulted in increased energy consumption. When combined into packages, the overall national savings potential is estimated to be

DNA BINDING POTENTIAL OF BROMODICHLOROMETHANE MEDIATED BY GLUTATHIONE S-TRANSFERASE THETA 1-1

EPA Science Inventory

DNA BINDING POTENTIAL OF BROMODICHLOROMETHANE MEDIATED BY GLUTATHIONE S-TRANSFERASE THETA 1-1. R A Pegram1 and M K Ross2. 2Curriculum in Toxicology, University of North Carolina, Chapel Hill, NC; 1Pharmacokinetics Branch, NHEERL, ORD, United States Environmental Protection Ag...

Wind energy potential analysis in Al-Fattaih-Darnah

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

Tjahjana, Dominicus Danardono Dwi Prija, E-mail: danar1405@gmail.com; Salem, Abdelkarim Ali, E-mail: keemsalem@gmail.com; Himawanto, Dwi Aries, E-mail: dwiarieshimawanto@gmail.com

2016-03-29

In this paper the wind energy potential in Al-Fattaih-Darnah, Libya, had been studied. Wind energy is very attractive because it can provide a clean and renewable energy. Due mostly to the uncertainty caused by the chaotic characteristics of wind near the earth’s surface, wind energy characteristic need to be investigated carefully in order to get consistent power generation. This investigation was based on one year wind data measured in 2003. As a result of the analysis, wind speed profile and wind energy potential have been developed. The wind energy potential of the location is looked very promising to generate electricity.more » The annual wind speed of the site is 8.21 m/s and the wind speed carrying maximum energy is 7.97 m/s. The annual power density of the site is classified into class 3. The Polaris P50-500 wind turbine can produce 768.39 M Wh/year and has capacity factor of 17.54%.« less

Tunneling effect on double potential barriers GaAs and PbS

NASA Astrophysics Data System (ADS)

Prastowo, S. H. B.; Supriadi, B.; Ridlo, Z. R.; Prihandono, T.

2018-04-01

A simple model of transport phenomenon tunnelling effect through double barrier structure was developed. In this research we concentrate on the variation of electron energy which entering double potential barriers to transmission coefficient. The barriers using semiconductor materials GaAs (Galium Arsenide) with band-gap energy 1.424 eV, distance of lattice 0.565 nm, and PbS (Lead Sulphide) with band gap energy 0.41 eV distance of lattice is 18 nm. The Analysisof tunnelling effect on double potentials GaAs and PbS using Schrodinger’s equation, continuity, and matrix propagation to get transmission coefficient. The maximum energy of electron that we use is 1.0 eV, and observable from 0.0025 eV- 1.0 eV. The shows the highest transmission coefficient is0.9982 from electron energy 0.5123eV means electron can pass the barriers with probability 99.82%. Semiconductor from materials GaAs and PbS is one of selected material to design semiconductor device because of transmission coefficient directly proportional to bias the voltage of semiconductor device. Application of the theoretical analysis of resonant tunnelling effect on double barriers was used to design and develop new structure and combination of materials for semiconductor device (diode, transistor, and integrated circuit).

Double ionization of He(1[ital s][sup 2]) and He(1[ital s]2[ital s] [sup 3][ital S]) by a single high-energy photon

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

Teng, Z.; Shakeshaft, R.

1994-05-01

We have calculated the energy and angular distributions for double ionization of He(1[ital s][sup 2]) and He(1[ital s]2[ital s] [sup 3][ital S]) by one photon, over a range of photon energies up to a few keV. The calculations were based on using a fairly accurate initial-state wave function, determined so as to exactly satisfy the Kato cusp conditions, and a final-state wave function which is a product of three Coulomb wave functions modified by a short-range correction term. There are at least three different mechanisms for double ionization, and each one leaves a mark on the angular distribution. When themore » energies of the two electrons are equal, the contribution of each mechanism to the angular asymmetry parameter can be estimated on theoretical grounds; we compare these estimates with the calculated results to give a further indication of the roles of the various mechanisms. Concerning the shapes of the energy and angular distributions, we find significant differences between double ionization of singlet and triplet helium; in particular, the probability for one high-energy photon to eject two equal-energy electrons from triplet helium nearly vanishes owing to the Pauli exclusion principle and to interference effects resulting from antisymmetrization. In two appendixes we present some details of the integration involved in the calculations.« less

Using learning curves on energy-efficient technologies to estimate future energy savings and emission reduction potentials in the U.S. iron and steel industry

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

Karali, Nihan; Park, Won Young; McNeil, Michael A.

Increasing concerns on non-sustainable energy use and climate change spur a growing research interest in energy efficiency potentials in various critical areas such as industrial production. This paper focuses on learning curve aspects of energy efficiency measures in the U.S iron and steel sector. A number of early-stage efficient technologies (i.e., emerging or demonstration technologies) are technically feasible and have the potential to make a significant contribution to energy saving and CO 2 emissions reduction, but fall short economically to be included. However, they may also have the cost effective potential for significant cost reduction and/or performance improvement in themore » future under learning effects such as ‘learning-by-doing’. The investigation is carried out using ISEEM, a technology oriented, linear optimization model. We investigated how steel demand is balanced with/without the availability learning curve, compared to a Reference scenario. The retrofit (or investment in some cases) costs of energy efficient technologies decline in the scenario where learning curve is applied. The analysis also addresses market penetration of energy efficient technologies, energy saving, and CO 2 emissions in the U.S. iron and steel sector with/without learning impact. Accordingly, the study helps those who use energy models better manage the price barriers preventing unrealistic diffusion of energy-efficiency technologies, better understand the market and learning system involved, predict future achievable learning rates more accurately, and project future savings via energy-efficiency technologies with presence of learning. We conclude from our analysis that, most of the existing energy efficiency technologies that are currently used in the U.S. iron and steel sector are cost effective. Penetration levels increases through the years, even though there is no price reduction. However, demonstration technologies are not economically feasible in the U.S

Energy justice and U.S. energy policy: Case study applications exploring U.S. energy policy through an energy justice framework

NASA Astrophysics Data System (ADS)

Prehoda, Emily W.

This thesis presents three examples of U.S. energy policy and demonstrates how these policies violate the principles of energy justice. First, requiring only Federal agencies to obtain a percentage of energy production from renewables violates the distributive energy justice principle through a lack of a federal renewable energy policy which distributes the potential for unequal electrical grid failure to populations. Second, U.S. energy policy violates the procedural energy justice principle through inequitable participation and poor knowledge dissemination that, in some cases, contributes to stagnant renewable targets during the decision-making process and inequitable distribution of the benefits associated with renewable energy arguably resulting from differential representation of economic groups in policy decision making. Third, the United States' continued reliance on and subsidization of fossil fuel extraction and use, violates the prohibitive energy justice principle by causing physical harm to humans and the environment. Finally, a lack of federal renewable energy policy hinders comprehensive energy policy including diversifying the U.S. renewable energy portfolios. Considering energy policy through the framework of energy justice offers a means of evaluating existing policy and can improve future energy policy decision-making. Demanding energy justice ensures that all populations have equitable distribution, participation, and access to affordable, efficient, and clean energy technologies that contribute to obtaining basic needs.

Evaluation of energy savings potential of variable refrigerant flow (VRF) from variable air volume (VAV) in the U.S. climate locations

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

Kim, Dongsu; Cox, Sam J.; Cho, Heejin

Variable refrigerant flow (VRF) systems are known for their high energy performance and thus can improve energy efficiency both in residential and commercial buildings. The energy savings potential of this system has been demonstrated in several studies by comparing the system performance with conventional HVAC systems such as rooftop variable air volume systems (RTU-VAV) and central chiller and boiler systems. This paper evaluates the performance of VRF and RTU-VAV systems in a simulation environment using widely-accepted whole building energy modeling software, EnergyPlus. A medium office prototype building model, developed by the U.S. Department of Energy (DOE), is used to assessmore » the performance of VRF and RTU-VAV systems. Each system is placed in 16 different locations, representing all U.S. climate zones, to evaluate the performance variations. Both models are compliant with the minimum energy code requirements prescribed in ASHRAE standard 90.1-2010 — energy standard for buildings except low-rise residential buildings. Finally, a comparison study between the simulation results of VRF and RTU-VAV models is made to demonstrate energy savings potential of VRF systems. The simulation results show that the VRF systems would save around 15–42% and 18–33% for HVAC site and source energy uses compared to the RTU-VAV systems. In addition, calculated results for annual HVAC cost savings point out that hot and mild climates show higher percentage cost savings for the VRF systems than cold climates mainly due to the differences in electricity and gas use for heating sources.« less

Evaluation of energy savings potential of variable refrigerant flow (VRF) from variable air volume (VAV) in the U.S. climate locations

DOE PAGES

Kim, Dongsu; Cox, Sam J.; Cho, Heejin; ...

2017-05-22

Variable refrigerant flow (VRF) systems are known for their high energy performance and thus can improve energy efficiency both in residential and commercial buildings. The energy savings potential of this system has been demonstrated in several studies by comparing the system performance with conventional HVAC systems such as rooftop variable air volume systems (RTU-VAV) and central chiller and boiler systems. This paper evaluates the performance of VRF and RTU-VAV systems in a simulation environment using widely-accepted whole building energy modeling software, EnergyPlus. A medium office prototype building model, developed by the U.S. Department of Energy (DOE), is used to assessmore » the performance of VRF and RTU-VAV systems. Each system is placed in 16 different locations, representing all U.S. climate zones, to evaluate the performance variations. Both models are compliant with the minimum energy code requirements prescribed in ASHRAE standard 90.1-2010 — energy standard for buildings except low-rise residential buildings. Finally, a comparison study between the simulation results of VRF and RTU-VAV models is made to demonstrate energy savings potential of VRF systems. The simulation results show that the VRF systems would save around 15–42% and 18–33% for HVAC site and source energy uses compared to the RTU-VAV systems. In addition, calculated results for annual HVAC cost savings point out that hot and mild climates show higher percentage cost savings for the VRF systems than cold climates mainly due to the differences in electricity and gas use for heating sources.« less

EPA RE-Powering Mapper: Alternative Energy Potential at Cleanup Sites

EPA Pesticide Factsheets

The U.S. Environmental Protection Agency (EPA) Office of Land and Emergency Management??s (OLEM) Office of Communications, Partnerships and Analysis (OCPA) initiated the RE-Powering America's Land Initiative to demonstrate the enormous potential that contaminated lands, landfills, and mine sites provide for developing renewable energy in the United States. EPA developed national level site screening criteria in partnership with the U.S. Department of Energy (DOE) National Renewable Energy Laboratory (NREL) for wind, solar, biomass, and geothermal facilities. While the screening criteria demonstrate the potential to reuse contaminated land for renewable energy facilities, the criteria and data are neither designed to identify the best sites for developing renewable energy nor all-inclusive. Therefore, more detailed, site-specific analysis is necessary to identify or prioritize the best sites for developing renewable energy facilities based on the technical and economic potential. Please note that these sites were only pre-screened for renewable energy potential. The sites were not evaluated for land use constraints or current on the ground conditions. Additional research and site-specific analysis are needed to verify viability for renewable energy potential at a given site.

Energy dependence of nonlocal optical potentials

NASA Astrophysics Data System (ADS)

Lovell, A. E.; Bacq, P.-L.; Capel, P.; Nunes, F. M.; Titus, L. J.

2017-11-01

Recently, a variety of studies have shown the importance of including nonlocality in the description of reactions. The goal of this work is to revisit the phenomenological approach to determining nonlocal optical potentials from elastic scattering. We perform a χ2 analysis of neutron elastic scattering data off 40Ca, 90Zr, and 208Pb at energies E ≈5 -40 MeV, assuming a Perey and Buck [Nucl. Phys. 32, 353 (1962), 10.1016/0029-5582(62)90345-0] or Tian et al. [Int. J. Mod. Phys. E 24, 1550006 (2015), 10.1142/S0218301315500068] nonlocal form for the optical potential. We introduce energy and asymmetry dependencies in the imaginary part of the potential and refit the data to obtain a global parametrization. Independently of the starting point in the minimization procedure, an energy dependence in the imaginary depth is required for a good description of the data across the included energy range. We present two parametrizations, both of which represent an improvement over the original potentials for the fitted nuclei as well as for other nuclei not included in our fit. Our results show that, even when including the standard Gaussian nonlocality in optical potentials, a significant energy dependence is required to describe elastic-scattering data.

U.S. energy outlook and future energy impacts

NASA Astrophysics Data System (ADS)

Hamburger, Randolph John

2011-12-01

Energy markets were not immune to the 2007 financial crisis. Growth in the Indian and Chinese economies is placing strains on global energy supplies that could force a repeat of the 2008 price spike of $145/bbl for crude oil. Emerging market growth coupled with inefficiencies, frictions, and speculation in the energy markets has the potential to create drastic economic shocks throughout the world. The 2007 economic crisis has pushed back investment in energy projects where a low-growth scenario in world GDP could create drastic price increases in world energy prices. Without a long-term energy supply plan, the U.S. is destined to see growth reduced and its trade imbalances continue to deteriorate with increasing energy costs. Analysis of the U.S. natural gas futures markets and the impact of financial speculation on natural gas market pricing determined that financial speculation adds to price movements in the energy markets, which could cause violent swings in energy prices.

Potential energy curve of the D(3)Π1u state in rubidium dimer from spectroscopic measurements

NASA Astrophysics Data System (ADS)

Jastrzebski, W.; Kowalczyk, P.

2016-12-01

The DΠ1u ← X g+1Σ band system in the Rb852 and 85Rb87Rb molecules has been investigated by the polarization labelling spectroscopy technique. The total of 2266 lines in this system were measured with an accuracy better than 0.1 cm-1. The resulting energies of the excited state levels (v = 0 - 50, J = 25 - 173) have been fitted to a Dunham polynomial expansion and directly to a numerical potential, providing the first experimental determination of the potential energy curve for the DΠ1u state. A good agreement is found between the experimental potential and those obtained from the most recent theoretical calculations.

Accurate potential energy surface for the 1(2)A' state of NH(2): scaling of external correlation versus extrapolation to the complete basis set limit.

PubMed

Li, Y Q; Varandas, A J C

2010-09-16

An accurate single-sheeted double many-body expansion potential energy surface is reported for the title system which is suitable for dynamics and kinetics studies of the reactions of N(2D) + H2(X1Sigmag+) NH(a1Delta) + H(2S) and their isotopomeric variants. It is obtained by fitting ab initio energies calculated at the multireference configuration interaction level with the aug-cc-pVQZ basis set, after slightly correcting semiempirically the dynamical correlation using the double many-body expansion-scaled external correlation method. The function so obtained is compared in detail with a potential energy surface of the same family obtained by extrapolating the calculated raw energies to the complete basis set limit. The topographical features of the novel global potential energy surface are examined in detail and found to be in general good agreement with those calculated directly from the raw ab initio energies, as well as previous calculations available in the literature. The novel function has been built so as to become degenerate at linear geometries with the ground-state potential energy surface of A'' symmetry reported by our group, where both form a Renner-Teller pair.

Full Empirical Potential Curves and Improved Dissociation Energies for the X ^1Σ^+ and a ^1Π States of CH^+

NASA Astrophysics Data System (ADS)

Cho, Young-Sang; Le Roy, Robert

2014-06-01

CH^+ has been a species of interest since the dawn of molecular astrophysics,and it is an important intermediate in combustion processes. In the domain of `conventional' spectroscopy there have been a number of studies of low v' and v" portions of the A ^1Π-X ^1Σ^+ band system of various isotopologues, and Amano recently reported microwave measurements of the ground-state R(0) lines of 12CH^+, 13CH^+ and 12CD^+. used photodissociation spectroscopy to observe transitions to very high-J' tunneling-predissociation levels (shape resonances) involving v(A)=0-10, for many of which they also measured the photo-fragment kinetic energy release. More recently Hechtfischer et al. used photodissociation spectroscopy of `Feschbach resonance' levels at very high v'(A) and low J' to obtain the first direct measurement of the 12CH^+ dissociation energy with near-spectroscopic accuracy (± 1.1 cm-1). However, to date, all analyses of the data for this system had been performed using traditional band-constant or Dunham-expansion fits to data for the lowest vibrational levels, and there have been no attempts to combine the `conventional' low-v data with the high-J' and high-v' photodissociation data in a single treatment. The present work has addressed this problem by performing a Direct-Potential-Fit (DPF) analysis that obtains full analytic potential energy functions for the X ^1Σ^+ and A ^1Π states of CH^+ that are able to account for all of the available data (on average) within their uncertainties. A.E. Douglas and G. Herzberg, Astrophys. J. 94, 381 (1941). T. Amano, Astrophys. J. Lett. {716}, L1 (2010) H. Helm, P.C. Crosby, M.M. Graff and J.T. Mosley, Phys. Rev. A 25, 304 (1982) U. Hechtfischer and C. J. Williams, M. Lange, J. Linkemann, D. Schwalm, R. Wester, A. Wolf and D. Zajfman, J.Chem.Phys. 117, 8754 (2002). H.S.P. Müller, Astron. Astrophys. 514, L7 (2010)

Heavy quarkonia in a potential model: binding energy, decay width, and survival probability

NASA Astrophysics Data System (ADS)

Srivastava, P. K.; Chaturvedi, O. S. K.; Thakur, Lata

2018-06-01

Recently a lot of progress has been made in deriving the heavy quark potential within a QCD medium. In this article we have considered heavy quarkonium in a hot quark gluon plasma phase. The heavy-quark potential has been modeled properly for short as well as long distances. The potential at long distances is modeled as a QCD string which is screened at the same scale as the Coulomb field. We have numerically solved the 1+1-dimensional Schrodinger equation for this potential and obtained the eigen wavefunction and binding energy for the 1 S and 2 S states of charmonium and bottomonium. Further, we have calculated the decay width and dissociation temperature of quarkonium states in the QCD plasma. Finally, we have used our recently proposed unified model with these new values of decay widths to calculate the survival probability of the various quarkonium states with respect to centrality at relativistic heavy ion collider and large hadron collider energies. This study provides a unified, consistent and comprehensive description of spectroscopic properties of various quarkonium states at finite temperatures along with their nuclear modification factor at different collision energies.

Self-template synthesis of double shelled ZnS-NiS1.97 hollow spheres for electrochemical energy storage

NASA Astrophysics Data System (ADS)

Wei, Chengzhen; Ru, Qinglong; Kang, Xiaoting; Hou, Haiyan; Cheng, Cheng; Zhang, Daojun

2018-03-01

In this work, double shelled ZnS-NiS1.97 hollow spheres have been achieved via a simple self-template route, which involves the synthesis of Zn-Ni solid spheres precursors as the self-template and then transformation into double shelled ZnS-NiS1.97 hollow spheres by sulfidation treatment. The as-prepared double shelled ZnS-NiS1.97 hollow spheres possess a high surface area (105.26 m2 g-1) and porous structures. Benefiting from the combined characteristics of novel structures, multi-component, high surface area and porous. When applied as electrode materials for supercapacitors, the double shelled ZnS-NiS1.97hollow spheres deliver a large specific capacitance of 696.8C g-1 at 5.0 A g-1 and a remarkable long lifespan cycling stability (less 5.5% loss after 6000 cycles). Moreover, an asymmetric supercapacitor (ASC) was assembled by utilizing ZnS-NiS1.97 (positive electrode) and activated carbon (negative electrode) as electrode materials. The as-assembled device possesses an energy density of 36 W h kg-1, which can be yet retained 25.6 W h kg-1 even at a power density of 2173.8 W Kg-1, indicating its promising applications in electrochemical energy storage. More importantly, the self-template route is a simple and versatile strategy for the preparation of metal sulfides electrode materials with desired structures, chemical compositions and electrochemical performances.

Excited argon 1s5 production in micro-hollow cathode discharges for use as potential rare gas laser sources

NASA Astrophysics Data System (ADS)

Peterson, Richard D.; Eshel, Ben; Rice, Christopher A.; Perram, Glen P.

2018-02-01

The diode-pumped rare gas laser (DPRGL) has been suggested as a potential high-gain, high-energy laser which requires densities on the order of 1013 cm-3 at pressures around 1 atmosphere for efficient operation. Argon 1s5 number densities have been measured in micro-hollow cathode discharges with electrode gaps of 127 and 254 μm and hole diameters from 100-400 μm. The dependency of the metastable argon (1s5) density on total gas pressure, electrode gap distance and hole diameter were explored. The measured densities were all in the range of 0.5 - 2 × 1013 cm-3 with the 400 μm hole diameters being the lowest.

A PSFI-based analysis on the energy efficiency potential of China’s domestic passenger vehicles

NASA Astrophysics Data System (ADS)

Chen, Chuan; Ren, Huanhuan; Zhao, Dongchang

2017-01-01

In this article, China’s domestic passenger vehicles (excluding new energy vehicles) are categorized into two groups: local brand vehicles and vehicles manufactured by joint ventures. Performance-Size-Fuel economy Index (PSFI) will be applied to analyse the speed of technical progress and the future trends of these vehicles. In addition, a forecast on energy efficiency potential of domestic passenger vehicles from 2016 to 2020 will be made based on different Emphasis on Reducing Fuel Consumption (ERFC) scenarios. According to the study, if the process of technical progress continues at its current speed, domestic ICE passenger vehicles will hardly meet Phase IV requirements by 2020 even though companies contribute as much technical progress to fuel consumption reduction as possible.

Fourfold Clusters of Rovibrational Energies in H2Te Studied With an Ab Initio Potential Energy Function

NASA Technical Reports Server (NTRS)

Jensen, Per; Li, Yan; Hirsch, Gerhard; Buenker, Robert J.; Lee, Timothy J.; Arnold, James O. (Technical Monitor)

1994-01-01

We report an ab initio investigation of the cluster effect (i.e., the formation of nearly degenerate, four member groups of rotation-vibration energy levels at higher J and K(sub a). values) in the H2Te molecule. The potential energy function has been calculated ab initio at a total of 334 molecular geometries by means of the CCSD(T) method where the (1s-4f) core electrons of Te were described by an effective core potential. The values of the potential energy function obtained cover the region up to around 10,000/cm above the equilibrium energy. On the basis of the ab initio potential, the rotation-vibration energy spectra of H2Te-130 and its deuterated isotopomers have been calculated with the MORBID (Morse Oscillator Rigid Bender Internal Dynamics) Hamiltonian and computer program. In particular, we have calculated the rotational energy manifolds for J less than or = 40 in the vibrational ground state, the upsilon(sub 2) state, the "first triad" (the upsilon(sub l)/upsilon(sub 3)/2upsilon(sub 2) interacting vibrational states), and the "second triad" (the upsilon(sub 1) + upsilon(sub 2/upsilon(sub 2) + upsilon(sub 3)/3upsilon(sub 2) states) of H2Te-130. We find that the cluster formation in H2Te is very similar to those of of H2Se and H2S, which we have studied previously. However, contrary to semiclassical predictions, we do not determine any significant displacement of the clusters towards lower J values relative to H2Se. Hence the experimental observation of the cluster states in H2Te will be at least as difficult as in H2Se.

GW-BSE approach on S1 vertical transition energy of large charge transfer compounds: A performance assessment.

PubMed

Ziaei, Vafa; Bredow, Thomas

2016-11-07

In this work, we apply many-body perturbation theory (MBPT) on large critical charge transfer (CT) complexes to assess its performance on the S 1 excitation energy. Since the S 1 energy of CT compounds is heavily dependent on the Hartree-Fock (HF) exchange fraction in the reference density functional, MBPT opens a new way for reliable prediction of CT S 1 energy without explicit knowledge of suitable amount of HF-exchange, in contrary to the time-dependent density functional theory (TD-DFT), where depending on various functionals, large errors can arise. Thus, simply by starting from a (semi-)local reference functional and performing update of Kohn-Sham (KS) energies in the Green's function G while keeping dynamical screened interaction (W(ω)) frozen to the mean-field level, we obtain impressingly highly accurate S 1 energy at slightly higher computational cost in comparison to TD-DFT. However, this energy-only updating mechanism in G fails to work if the initial guess contains a fraction or 100% HF-exchange, and hence considerably inaccurate S 1 energy is predicted. Furthermore, eigenvalue updating both in G and W(ω) overshoots the S 1 energy due to enhanced underscreening of W(ω), independent of the (hybrid-)DFT starting orbitals. A full energy-update on top of HF orbitals even further overestimates the S 1 energy. An additional update of KS wave functions within the Quasi-Particle Self-Consistent GW (QSGW) deteriorates results, in stark contrast to the good results obtained from QSGW for periodic systems. For the sake of transferability, we further present data of small critical non-charge transfer systems, confirming the outcomes of the CT-systems.

Potential Arbitrage Revenue of Energy Storage Systems in PJM

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

Salles, Mauricio; Huang, Junling; Aziz, Michael

The volatility of electricity prices is attracting interest in the opportunity of providing net revenue by energy arbitrage. We analyzed the potential revenue of a generic Energy Storage System (ESS) in 7395 different locations within the electricity markets of Pennsylvania-New Jersey-Maryland interconnection (PJM), the largest U.S. regional transmission organization, using hourly locational marginal prices over the seven-year period 2008–2014. Assuming a price-taking ESS with perfect foresight in the real-time market, we optimized the charge-discharge profile to determine the maximum potential revenue for a 1 MW system as a function of energy/power ratio, or rated discharge duration, from 1 to 14more » h, including a limited analysis of sensitivity to round-trip efficiency. We determined minimum potential revenue with a similar analysis of the day-ahead market. We presented the distribution over the set of nodes and years of price, price volatility, and maximum potential arbitrage revenue. From these results, we determined the break even overnight installed cost of an ESS below which arbitrage would be profitable, its dependence on rated discharge duration, its distribution over grid nodes, and its variation over the years. We showed that dispatch into real-time markets based on day-ahead market settlement prices is a simple, feasible method that raises the lower bound on the achievable arbitrage revenue.« less

Potential Arbitrage Revenue of Energy Storage Systems in PJM

DOE PAGES

Salles, Mauricio; Huang, Junling; Aziz, Michael; ...

2017-07-27

The volatility of electricity prices is attracting interest in the opportunity of providing net revenue by energy arbitrage. We analyzed the potential revenue of a generic Energy Storage System (ESS) in 7395 different locations within the electricity markets of Pennsylvania-New Jersey-Maryland interconnection (PJM), the largest U.S. regional transmission organization, using hourly locational marginal prices over the seven-year period 2008–2014. Assuming a price-taking ESS with perfect foresight in the real-time market, we optimized the charge-discharge profile to determine the maximum potential revenue for a 1 MW system as a function of energy/power ratio, or rated discharge duration, from 1 to 14more » h, including a limited analysis of sensitivity to round-trip efficiency. We determined minimum potential revenue with a similar analysis of the day-ahead market. We presented the distribution over the set of nodes and years of price, price volatility, and maximum potential arbitrage revenue. From these results, we determined the break even overnight installed cost of an ESS below which arbitrage would be profitable, its dependence on rated discharge duration, its distribution over grid nodes, and its variation over the years. We showed that dispatch into real-time markets based on day-ahead market settlement prices is a simple, feasible method that raises the lower bound on the achievable arbitrage revenue.« less

Linking vascular disorders and Alzheimer’s disease: Potential involvement of BACE1

PubMed Central

Cole, Sarah L.; Vassar, Robert

2012-01-01

The etiology of Alzheimer’s disease (AD) remains unknown. However, specific risk factors have been identified, and aging is the strongest AD risk factor. The majority of cardiovascular events occur in older people and a close relationship between vascular disorders and AD exists. Amyloid plaques, composed of the beta amyloid peptide (Aβ), are hallmark lesions in AD and evidence indicates that Aβ plays a central role in AD pathophysiology. The BACE1 enzyme is essential for Aβ generation, and BACE1 levels are elevated in AD brain. The cause(s) of this BACE1 elevation remains undetermined. Here we review the potential contribution of vascular disease to AD pathogenesis. We examine the putative vasoactive properties of Aβ and how the cellular changes associated with vascular disease may elevate BACE1 levels. Despite increasing evidence, the exact role(s) vascular disorders play in AD remains to be determined. However, given that vascular diseases can be addressed by lifestyle and pharmacologic interventions, the potential benefits of these therapies in delaying the clinical appearance and progression of AD may warrant investigation. PMID:18289733

Ab Initio Potential Energy Surface for H-H2

NASA Technical Reports Server (NTRS)

Patridge, Harry; Bauschlicher, Charles W., Jr.; Stallcop, James R.; Levin, Eugene

1993-01-01

Ab initio calculations employing large basis sets are performed to determine an accurate potential energy surface for H-H2 interactions for a broad range of separation distances. At large distances, the spherically averaged potential determined from the calculated energies agrees well with the corresponding results determined from dispersion coefficients; the van der Waals well depth is predicted to be 75 +/- 3 micro E(h). Large basis sets have also been applied to reexamine the accuracy of theoretical repulsive potential energy surfaces (25-70 kcal/mol above the H-H2 asymptote) at small interatomic separations; the Boothroyd, Keogh, Martin, and Peterson (BKMP) potential energy surface is found to agree with results of the present calculations within the expected uncertainty (+/- 1 kcal/mol) of the fit. Multipolar expansions of the computed H-H2 potential energy surface are reported for four internuclear separation distances (1.2, 1.401, 1.449, and 1.7a(0)) of the hydrogen molecule. The differential elastic scattering cross section calculated from the present results is compared with the measurements from a crossed beam experiment.

Potential for natural evaporation as a reliable renewable energy resource

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

Cavusoglu, Ahmet-Hamdi; Chen, Xi; Gentine, Pierre

About 50% of the solar energy absorbed at the Earth’s surface drives evaporation, fueling the water cycle that affects various renewable energy resources, such as wind and hydropower. Recent advances demonstrate our nascent ability to convert evaporation energy into work, yet there is little understanding about the potential of this resource. Here in this paper we study the energy available from natural evaporation to predict the potential of this ubiquitous resource. We find that natural evaporation from open water surfaces could provide power densities comparable to current wind and solar technologies while cutting evaporative water losses by nearly half. Wemore » estimate up to 325 GW of power is potentially available in the United States. Strikingly, water’s large heat capacity is sufficient to control power output by storing excess energy when demand is low, thus reducing intermittency and improving reliability. Our findings motivate the improvement of materials and devices that convert energy from evaporation.« less

Potential for natural evaporation as a reliable renewable energy resource

DOE PAGES

Cavusoglu, Ahmet-Hamdi; Chen, Xi; Gentine, Pierre; ...

2017-09-26

About 50% of the solar energy absorbed at the Earth’s surface drives evaporation, fueling the water cycle that affects various renewable energy resources, such as wind and hydropower. Recent advances demonstrate our nascent ability to convert evaporation energy into work, yet there is little understanding about the potential of this resource. Here in this paper we study the energy available from natural evaporation to predict the potential of this ubiquitous resource. We find that natural evaporation from open water surfaces could provide power densities comparable to current wind and solar technologies while cutting evaporative water losses by nearly half. Wemore » estimate up to 325 GW of power is potentially available in the United States. Strikingly, water’s large heat capacity is sufficient to control power output by storing excess energy when demand is low, thus reducing intermittency and improving reliability. Our findings motivate the improvement of materials and devices that convert energy from evaporation.« less

Hadronic Transitions from Upsilon (2S) to Upsilon (1s) and Upsilon Dipion Transitions at Energies Near the Upsilon (4S)

NASA Astrophysics Data System (ADS)

Kotoy, Sergei Anatolievich

This dissertation consists of two closely related analyses, both of which were performed using data collected with the CLEO II detector at the Cornell Electron Storage Ring. In the first analysis, using the world largest data sample of Υ(2 S) events, we have investigated the hadronic transitions between the Υ(2S) and the Υ(1S), i.e. decays of the Υ(2S) into the Υ(1S), plus a pair of pions ( p+p- or p0p0 ), a single η or a single p0 . The dipion transitions U(2S)-->U( 1S)pp were studied most closely, by using two different techniques: ``exclusive'' and ``inclusive''. In these measurements we determine the U(2S)-->U( 1S)pp branching ratios, and, by combining the exclusive and inclusive results, we derive the Υ(1S), leptonic branching ratios Bee and Bmm . Parameters of the ππ system in the dipion transitions (dipion invariant mass spectra, angular distributions) were analyzed and found to be consistent with current theoretical models. Lastly, we searched for the η and single π0 transitions and obtained upper limits on the branching ratios B(U(2S) -->U(1S)h ) and B(U(2S) -->U(1S)p 0) . In the second analysis, the data collected at the center of mass energies near the Υ(4S) were used to search for the dipion transition between pairs of Υ resonances. As a result of this search, we established upper limits on the branching ratios of the dipion transitions post='par'>p+p- and U(4S)-->U( 1S)p+p- , and measured the cross-sections for the radiative production of Υ(3 S) and Υ(2S) resonances e+e--->U(nS) g at the center of mass energies of Ecm = 10.58 GeV and Ecm = 10.52 GeV.

Research on potential user identification model for electric energy substitution

NASA Astrophysics Data System (ADS)

Xia, Huaijian; Chen, Meiling; Lin, Haiying; Yang, Shuo; Miao, Bo; Zhu, Xinzhi

2018-01-01

The implementation of energy substitution plays an important role in promoting the development of energy conservation and emission reduction in china. Energy service management platform of alternative energy users based on the data in the enterprise production value, product output, coal and other energy consumption as a potential evaluation index, using principal component analysis model to simplify the formation of characteristic index, comprehensive index contains the original variables, and using fuzzy clustering model for the same industry user’s flexible classification. The comprehensive index number and user clustering classification based on constructed particle optimization neural network classification model based on the user, user can replace electric potential prediction. The results of an example show that the model can effectively predict the potential of users’ energy potential.

Review of Potential Characterization Techniques in Approaching Energy and Sustainability

DOE PAGES

LePoire, David

2014-03-20

Societal prosperity is linked to sustainable energy and a healthy environment. But, tough global challenges include increased demand for fossil fuels, while approaching peak oil production and uncertainty in the environmental impacts of energy generation. Recently, energy use was identified as a major component of economic productivity, along with capital and labor. Furthermore, other environmental resources and impacts may be nearing environmental thresholds as indicated by nine planetary environmental boundaries, many of which are linked to energy production and use. Foresight techniques could be applied to guide future actions which include emphasis on (1) energy efficiency to bridge the transitionmore » to a renewable energy economy, (2) continued research, development, and assessment of new technologies, (3) improved understanding of environment impacts including natural capital use and degradation, (4) exploration of GDP alternative measures that include both economic production and environmental impacts, and (5) international cooperation and awareness of longer-term opportunities and their associated potential scenarios. Examples from the U.S. and the international community illustrate challenges and potential.« less

Observation of double-well potential of NaH C 1Σ+ state: Deriving the dissociation energy of its ground state

NASA Astrophysics Data System (ADS)

Chu, Chia-Ching; Huang, Hsien-Yu; Whang, Thou-Jen; Tsai, Chin-Chun

2018-03-01

Vibrational levels (v = 6-42) of the NaH C 1Σ+ state including the inner and outer wells and the near-dissociation region were observed by pulsed optical-optical double resonance fluorescence depletion spectroscopy. The absolute vibrational quantum number is identified by comparing the vibrational energy difference of this experiment with the ab initio calculations. The outer well with v up to 34 is analyzed using the Dunham expansion and a Rydberg-Klein-Rees (RKR) potential energy curve is constructed. A hybrid double-well potential combined with the RKR potential, the ab initio calculation, and a long-range potential is able to describe the whole NaH C 1Σ+ state including the higher vibrational levels (v = 35-42). The dissociation energy of the NaH C 1Σ+ state is determined to be De(C) = 6595.10 ± 5 cm-1 and then the dissociation energy of the NaH ground state De(X) = 15 807.87 ± 5 cm-1 can be derived.

Ab initio Potential Energy Surface for H-H2

NASA Technical Reports Server (NTRS)

Partridge, Harry; Bauschlicher, Charles W., Jr.; Stallcop, James R.; Levin, Eugene

1993-01-01

Ab initio calculations employing large basis sets are performed to determine an accurate potential energy surface for H-H2 interactions for a broad range of separation distances. At large distances, the spherically averaged potential determined from the calculated energies agrees well with the corresponding results determined from dispersion coefficients; the van der Waals well depth is predicted to be 75 +/- (mu)E(sub h). Large basis sets have also been applied to reexamine the accuracy of theoretical repulsive potential energy surfaces. Multipolar expansions of the computed H-H2 potential energy surface are reported for four internuclear separation distances (1.2, 1.401, 1.449, and 1.7a(sub 0) of the hydrogen molecule. The differential elastic scattering cross section calculated from the present results is compared with the measurements from a crossed beam experiment.

Energy potential of the modified excess sludge

NASA Astrophysics Data System (ADS)

Zawieja, Iwona

2017-11-01

On the basis of the SCOD value of excess sludge it is possible to estimate an amount of energy potentially obtained during the methane fermentation process. Based on a literature review, it has been estimated that from 1 kg of SCOD it is possible to obtain 3.48 kWh of energy. Taking into account the above methane and energy ratio (i.e. 10 kWh/1Nm3 CH4), it is possible to determine the volume of methane obtained from the tested sludge. Determination of potential energy of sludge is necessary for the use of biogas as a source of power generators as cogeneration and ensure the stability of this type of system. Therefore, the aim of the study was to determine the energy potential of excess sludge subjected to the thermal and chemical disintegration. In the case of thermal disintegration, test was conducted in the low temperature 80°C. The reagent used for the chemical modification was a peracetic acid, which in an aqueous medium having strong oxidizing properties. The time of chemical modification was 6 hours. Applied dose of the reagent was 1.0 ml CH3COOOH/L of sludge. By subjecting the sludge disintegration by the test methods achieved an increase in the SCOD value of modified sludge, indicating the improvement of biodegradability along with a concomitant increase in their energy potential. The obtained experimental production of biogas from disintegrated sludge confirmed that it is possible to estimate potential intensity of its production. The SCOD value of 2576 mg O2/L, in the case of chemical disintegration, was obtained for a dose of 1.0 ml CH3COOH/L. For this dose the pH value was equal 6.85. In the case of thermal disintegration maximum SCOD value was 2246 mg O2/L obtained at 80°C and the time of preparation 6 h. It was estimated that in case of thermal disintegration as well as for the chemical disintegration for selected parameters, the potential energy for model digester of active volume of 5L was, respectively, 0.193 and 0,118 kWh.

Total energy and potential enstrophy conserving schemes for the shallow water equations using Hamiltonian methods $-$ Part 1: Derivation and properties

DOE PAGES

Eldred, Christopher; Randall, David

2017-02-17

The shallow water equations provide a useful analogue of the fully compressible Euler equations since they have similar characteristics: conservation laws, inertia-gravity and Rossby waves, and a (quasi-) balanced state. In order to obtain realistic simulation results, it is desirable that numerical models have discrete analogues of these properties. Two prototypical examples of such schemes are the 1981 Arakawa and Lamb (AL81) C-grid total energy and potential enstrophy conserving scheme, and the 2007 Salmon (S07) Z-grid total energy and potential enstrophy conserving scheme. Unfortunately, the AL81 scheme is restricted to logically square, orthogonal grids, and the S07 scheme is restrictedmore » to uniform square grids. The current work extends the AL81 scheme to arbitrary non-orthogonal polygonal grids and the S07 scheme to arbitrary orthogonal spherical polygonal grids in a manner that allows for both total energy and potential enstrophy conservation, by combining Hamiltonian methods (work done by Salmon, Gassmann, Dubos, and others) and discrete exterior calculus (Thuburn, Cotter, Dubos, Ringler, Skamarock, Klemp, and others). Lastly, detailed results of the schemes applied to standard test cases are deferred to part 2 of this series of papers.« less

Total energy and potential enstrophy conserving schemes for the shallow water equations using Hamiltonian methods - Part 1: Derivation and properties

NASA Astrophysics Data System (ADS)

Eldred, Christopher; Randall, David

2017-02-01

The shallow water equations provide a useful analogue of the fully compressible Euler equations since they have similar characteristics: conservation laws, inertia-gravity and Rossby waves, and a (quasi-) balanced state. In order to obtain realistic simulation results, it is desirable that numerical models have discrete analogues of these properties. Two prototypical examples of such schemes are the 1981 Arakawa and Lamb (AL81) C-grid total energy and potential enstrophy conserving scheme, and the 2007 Salmon (S07) Z-grid total energy and potential enstrophy conserving scheme. Unfortunately, the AL81 scheme is restricted to logically square, orthogonal grids, and the S07 scheme is restricted to uniform square grids. The current work extends the AL81 scheme to arbitrary non-orthogonal polygonal grids and the S07 scheme to arbitrary orthogonal spherical polygonal grids in a manner that allows for both total energy and potential enstrophy conservation, by combining Hamiltonian methods (work done by Salmon, Gassmann, Dubos, and others) and discrete exterior calculus (Thuburn, Cotter, Dubos, Ringler, Skamarock, Klemp, and others). Detailed results of the schemes applied to standard test cases are deferred to part 2 of this series of papers.

10 CFR 960.3-1-4-1 - Site identification as potentially acceptable.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 4 2010-01-01 2010-01-01 false Site identification as potentially acceptable. 960.3-1-4-1 Section 960.3-1-4-1 Energy DEPARTMENT OF ENERGY GENERAL GUIDELINES FOR THE PRELIMINARY SCREENING OF POTENTIAL SITES FOR A NUCLEAR WASTE REPOSITORY Implementation Guidelines § 960.3-1-4-1 Site identification...

Re-examining Potential for Geothermal Energy in United States

NASA Astrophysics Data System (ADS)

Showstack, Randy

New technological initiatives, along with potential policy and economic incentives, could help to bring about a resurgence in geothermal energy development in the United States, said several experts at a 22 May forum in Washington, D.C. The forum was sponsored by the House and Senate Renewable Energy and Energy Efficiency Caucuses, the Sustainable Energy Coalition, and the Environmental and Energy Study Institute. Among these initiatives is an ambitious program of the U.S. Department of Energy to expand existing geothermal energy fields and potentially create new fields through ``enhanced geothermal systems.'' In addition, a program of the Bush administration encourages geothermal development on some public lands, and current legislation would provide tax credits and other incentives for geothermal development.

Photoionization of Cl+ from the 3s23p4 3P2,1,0 and the 3s23p4 1D2,1S0 states in the energy range 19-28 eV

NASA Astrophysics Data System (ADS)

McLaughlin, Brendan M.

2017-01-01

Absolute photoionization cross-sections for the Cl+ ion in its ground and the metastable states, 3s23p4 3P2,1,0 and 3s23p4 1D2,1S0, were measured recently at the Advanced Light Source at Lawrence Berkeley National Laboratory using the merged beams photon-ion technique at a photon energy resolution of 15 meV in the energy range 19-28 eV. These measurements are compared with large-scale Dirac-Coulomb R-matrix calculations in the same energy range. Photoionization of this sulphur-like chlorine ion is characterized by multiple Rydberg series of auto-ionizing resonances superimposed on a direct photoionization continuum. A wealth of resonance features observed in the experimental spectra is spectroscopically assigned, and their resonance parameters are tabulated and compared with the recent measurements. Metastable fractions in the parent ion beam are determined from this study. Theoretical resonance energies and quantum defects of the prominent Rydberg series 3s23p3nd, identified in the spectra as 3p → nd transitions, are compared with the available measurements made on this element. Weaker Rydberg series 3s23p3ns, identified as 3p → ns transitions and window resonances 3s3p4(4P)np features, due to 3s → np transitions, are also found in the spectra.

San Jose, California: Evaluating Local Solar Energy Generation Potential (City Energy: From Data to Decisions)

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

Office of Strategic Programs, Strategic Priorities and Impact Analysis Team

This fact sheet "San Jose, California: Evaluating Local Solar Energy Generation Potential" explains how the City of San Jose used data from the U.S. Department of Energy's Cities Leading through Energy Analysis and Planning (Cities-LEAP) and the State and Local Energy Data (SLED) programs to inform its city energy planning. It is one of ten fact sheets in the "City Energy: From Data to Decisions" series.

Binding energy of e^+Li using the Peach model potential.

NASA Astrophysics Data System (ADS)

Shertzer, Janine; Ward, Sandra

2006-05-01

The l-independent, parametric model potential developed by Peach^1 for describing the electron interaction with the alkali ion core yields energy levels that are in excellent agreement with experiment. Because of its relative simplicity, this model potential is an attractive choice for studying e^+- Li collisions;^2,3 the e^+-ion core interaction is obtained by changing the sign of the static term in the interaction. In order to test the usefulness of the potential for describing the physics of an effective three-body system, we calculated the binding energy of e^+Li. This is a stringent test, because the system is very weakly bound. Our results are in excellent agreement with previous calculations,^4 including those using the exact four-body Hamiltonian.^5 This work was funded by NSF under collaborative Grant PHYS-0440714 (JS) and PHYS-0440565 (SJW). ^1G. Peach, H.E. Saraph and M.J. Seaton, J. Phys. B 21, 3669 (1988). ^2M.S.T. Watts and J.W. Humberston, J. Phys. B 25, L491 (1992). ^3S. J. Ward and J. Shertzer, Phys. Rev. A 68, 032720 (2003). ^4J. Mitroy, M.W.J. Bromley, and G.G. Ryzhikh, J. Phys. B 35, R81 (2002). ^5Massimo Mella, Gabriele Morosi, and Dario Bressanini, J. Chem. Phys. 111, 108 (1999).

S-factor of 14 N (α, γ)18 F reaction at low-energies

NASA Astrophysics Data System (ADS)

Khalili, H.

2018-06-01

The astrophysical S-factor of the 14 N (α, γ)18 F reaction has been studied at range of bombarding energy 1-1.30 MeV. The 14 N (α, γ)18 F process is important in low energy astrophysics so that a possible source of energy in massive stars which have spent their hydrogen cycle. Using the Wood-saxon potential model, we have been calculated non resonances the astrophysical S-factors for the E 2 transition and our results for Eα = 0.0 MeV is S ≈ 0.5 MeV.b where from experimental is measured to Eα = 0.0 is S ≈ o . 7 MeV.b (Couch et al., 1971) that in comparison with our data good agreement is achieved for the astrophysical S-factor of this process.

U.S. Department of Energy Reference Model Program RM1: Experimental Results.

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

Hill, Craig; Neary, Vincent Sinclair; Gunawan, Budi

The Reference Model Project (RMP), sponsored by the U.S. Department of Energy’s (DOE) Wind and Water Power Technologies Program within the Office of Energy Efficiency & Renewable Energy (EERE), aims at expediting industry growth and efficiency by providing nonproprietary Reference Models (RM) of MHK technology designs as study objects for opensource research and development (Neary et al. 2014a,b). As part of this program, MHK turbine models were tested in a large open channel facility at the University of Minnesota’s St. Anthony Falls Laboratory (UMN-SAFL). Reference Model 1 (RM1) is a 1:40 geometric scale dual-rotor axial flow horizontal axis device withmore » counter-rotating rotors, each with a rotor diameter dT = 0.5m. Precise blade angular position and torque measurements were synchronized with three acoustic Doppler velocimeters (ADVs) aligned with each rotor and the midpoint for RM1. Flow conditions for each case were controlled such that depth, h = 1m, and volumetric flow rate, Qw = 2.425m3s-1, resulting in a hub height velocity of approximately Uhub = 1.05ms-1 and blade chord length Reynolds numbers of Rec ≈ 3.0x105. Vertical velocity profiles collected in the wake of each device from 1 to 10 rotor diameters are used to estimate the velocity recovery and turbulent characteristics in the wake, as well as the interaction of the counter-rotating rotor wakes. The development of this high resolution laboratory investigation provides a robust dataset that enables assessing turbulence performance models and their ability to accurately predict device performance metrics, including computational fluid dynamics (CFD) models that can be used to predict turbulent inflow environments, reproduce wake velocity deficit, recovery and higher order turbulent statistics, as well as device performance metrics.« less

Astrophysical S-Factor of p 7Be Capture at Low Energies

NASA Astrophysics Data System (ADS)

Dubovichenko, S. B.; Burkova, N. A.; Dzhazairov-Kakhramanov, A. V.; Tkachenko, A. S.

2018-04-01

In the modified potential cluster model, the possibility of describing the astrophysical S-factor of radiative p7Be→8Bγ capture to the ground state of the 8B nucleus at energies from 10 keV to 1 MeV is considered. Potentials of intercluster interactions, matched to the spectra of the 8B nucleus for scattering processes, and the potential of the bound 3P2 ground state in the p7Be cluster channel are constructed. The resonance in the 3P1 scattering wave at the energy 0.722 MeV, which leads to an M1-transition to the ground state, is considered. Total cross sections and the reaction rate of p7Be capture are calculated in the temperature range from 0.01·T9 to 5·T9.

Electromagnetic potentials basis for energy density and power flux

NASA Astrophysics Data System (ADS)

Puthoff, H. E.

2016-09-01

In rounding out the education of students in advanced courses in applied electromagnetics it is incumbent on us as mentors to raise issues that encourage appreciation of certain subtle aspects that are often overlooked during first exposure to the field. One of these has to do with the interplay between fields and potentials, with the latter often seen as just a convenient mathematical artifice useful in solving Maxwell’s equations. Nonetheless, to those practiced in application it is well understood that various alternatives in the use of fields and potentials are available within electromagnetic (EM) theory for the definitions of energy density, momentum transfer, EM stress-energy tensor, and so forth. Although the various options are all compatible with the basic equations of electrodynamics (e.g., Maxwell’s equations, Lorentz force law, gauge invariance), nonetheless certain alternative formulations lend themselves to being seen as preferable to others with regard to the transparency of their application to physical problems of interest. Here we argue for the transparency of an energy density/power flux option based on the EM potentials alone.

An ab initio potential energy surface for the formic acid dimer: zero-point energy, selected anharmonic fundamental energies, and ground-state tunneling splitting calculated in relaxed 1-4-mode subspaces.

PubMed

Qu, Chen; Bowman, Joel M

2016-09-14

We report a full-dimensional, permutationally invariant potential energy surface (PES) for the cyclic formic acid dimer. This PES is a least-squares fit to 13475 CCSD(T)-F12a/haTZ (VTZ for H and aVTZ for C and O) energies. The energy-weighted, root-mean-square fitting error is 11 cm -1 and the barrier for the double-proton transfer on the PES is 2848 cm -1 , in good agreement with the directly-calculated ab initio value of 2853 cm -1 . The zero-point vibrational energy of 15 337 ± 7 cm -1 is obtained from diffusion Monte Carlo calculations. Energies of fundamentals of fifteen modes are calculated using the vibrational self-consistent field and virtual-state configuration interaction method. The ground-state tunneling splitting is computed using a reduced-dimensional Hamiltonian with relaxed potentials. The highest-level, four-mode coupled calculation gives a tunneling splitting of 0.037 cm -1 , which is roughly twice the experimental value. The tunneling splittings of (DCOOH) 2 and (DCOOD) 2 from one to three mode calculations are, as expected, smaller than that for (HCOOH) 2 and consistent with experiment.

Mass Energy Equivalence Formula Must Include Rotational and Vibrational Kinetuic Energies as Well As Potential Energies

NASA Astrophysics Data System (ADS)

Brekke, Stewart

2010-11-01

Originally Einstein proposed the the mass-energy equivalence at low speeds as E=mc^2 + 1/2 mv^2. However, a mass may also be rotating and vibrating as well as moving linearly. Although small, these kinetic energies must be included in formulating a true mathematical statement of the mass-energy equivalence. Also, gravitational, electromagneic and magnetic potential energies must be included in the mass-energy equivalence mathematical statement. While the kinetic energy factors may differ in each physical situation such as types of vibrations and rotations, the basic equation for the mass- energy equivalence is therefore E = m0c^2 + 1/2m0v^2 + 1/2I2̂+ 1/2kx^2 + WG+ WE+ WM.

An Ab Initio Based Potential Energy Surface for Water

NASA Technical Reports Server (NTRS)

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

1996-01-01

We report a new determination of the water potential energy surface. A high quality ab initio potential energy surface (PES) and dipole moment function of water have been computed. This PES is empirically adjusted to improve the agreement between the computed line positions and those from the HITRAN 92 data base. The adjustment is small, nonetheless including an estimate of core (oxygen 1s) electron correlation greatly improves the agreement with experiment. Of the 27,245 assigned transitions in the HITRAN 92 data base for H2(O-16), the overall root mean square (rms) deviation between the computed and observed line positions is 0.125/cm. However the deviations do not correspond to a normal distribution: 69% of the lines have errors less than 0.05/cm. Overall, the agreement between the line intensities computed in the present work and those contained in the data base is quite good, however there are a significant number of line strengths which differ greatly.

Updated Estimates of the Remaining Market Potential of the U.S. ESCO Industry

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

Larsen, Peter H.; Carvallo Bodelon, Juan Pablo; Goldman, Charles A.

The energy service company (ESCO) industry has a well-established track record of delivering energy and economic savings in the public and institutional buildings sector, primarily through the use of performance-based contracts. The ESCO industry often provides (or helps arrange) private sector financing to complete public infrastructure projects with little or no up-front cost to taxpayers. In 2014, total U.S. ESCO industry revenue was estimated at $5.3 billion. ESCOs expect total industry revenue to grow to $7.6 billion in 2017—a 13% annual growth rate from 2015-2017. Researchers at Lawrence Berkeley National Laboratory (LBNL) were asked by the U.S. Department of Energymore » Federal Energy Management Program (FEMP) to update and expand our estimates of the remaining market potential of the U.S. ESCO industry. We define remaining market potential as the aggregate amount of project investment by ESCOs that is technically possible based on the types of projects that ESCOS have historically implemented in the institutional, commercial, and industrial sectors using ESCO estimates of current market penetration in those sectors. In this analysis, we report U.S. ESCO industry remaining market potential under two scenarios: (1) a base case and (2) a case “unfettered” by market, bureaucratic, and regulatory barriers. We find that there is significant remaining market potential for the U.S. ESCO industry under both the base and unfettered cases. For the base case, we estimate a remaining market potential of $92-$201 billion ($2016). We estimate a remaining market potential of $190-$333 billion for the unfettered case. It is important to note, however, that there is considerable uncertainty surrounding the estimates for both the base and unfettered cases.« less

Potential Impacts of Hydrokinetic and Wave Energy Conversion Technologies on Aquatic Environments

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

Čada, Glenn F.

2007-04-01

A new generation of hydropower technologies, the kinetic hydro and wave energy conversion devices, offers the possibility of generating electricity from the movements of water, without the need for dams and diversions. The Energy Policy Act of 2005 encouraged the development of these sources of renewable energy in the United States, and there is growing interest in deploying them globally. The technologies that would extract electricity from free-flowing streams, estuaries, and oceans have not been widely tested. Consequently, the U.S. Department of Energy convened a workshop to (1) identify the varieties of hydrokinetic energy and wave energy conversion devices andmore » their stages of development, (2) identify where these technologies can best operate, (3) identify the potential environmental issues associated with these technologies and possible mitigation measures, and (4) develop a list of research needs and/or practical solutions to address unresolved environmental issues. The article reviews the results of that workshop, focusing on potential effects on freshwater, estuarine, and marine ecosystems, and we describe recent national and international developments.« less

A manganese-hydrogen battery with potential for grid-scale energy storage

NASA Astrophysics Data System (ADS)

Chen, Wei; Li, Guodong; Pei, Allen; Li, Yuzhang; Liao, Lei; Wang, Hongxia; Wan, Jiayu; Liang, Zheng; Chen, Guangxu; Zhang, Hao; Wang, Jiangyan; Cui, Yi

2018-05-01

Batteries including lithium-ion, lead-acid, redox-flow and liquid-metal batteries show promise for grid-scale storage, but they are still far from meeting the grid's storage needs such as low cost, long cycle life, reliable safety and reasonable energy density for cost and footprint reduction. Here, we report a rechargeable manganese-hydrogen battery, where the cathode is cycled between soluble Mn2+ and solid MnO2 with a two-electron reaction, and the anode is cycled between H2 gas and H2O through well-known catalytic reactions of hydrogen evolution and oxidation. This battery chemistry exhibits a discharge voltage of 1.3 V, a rate capability of 100 mA cm-2 (36 s of discharge) and a lifetime of more than 10,000 cycles without decay. We achieve a gravimetric energy density of 139 Wh kg-1 (volumetric energy density of 210 Wh l-1), with the theoretical gravimetric energy density of 174 Wh kg-1 (volumetric energy density of 263 Wh l-1) in a 4 M MnSO4 electrolyte. The manganese-hydrogen battery involves low-cost abundant materials and has the potential to be scaled up for large-scale energy storage.

S-factor for radiative capture reactions for light nuclei at astrophysical energies

NASA Astrophysics Data System (ADS)

Ghasemi, Reza; Sadeghi, Hossein

2018-06-01

The astrophysical S-factors of thermonuclear reactions, including radiative capture reactions and their analysis in the frame of different theoretical models, are the main source of nuclear processes. We have done research on the radiative capture reactions importance in the framework of a potential model. Investigation of the reactions in the astrophysical energies is of great interest in the aspect of astrophysics and nuclear physics for developing correct models of burning and evolution of stars. The experimental measurements are very difficult and impossible because of these reactions occurrence at low-energies. In this paper we do a calculation on radiative capture astrophysical S-factors for nuclei in the mass region A < 17. We calculate the astrophysical factor for the dipole electronic transition E1 and magnetic dipole transition M1 and electric quadrupole transition E2 by using the M3Y potential for non-resonances and resonances captures. Then we have got the parameter of a central part and spin-orbit part of M3Y potential and spectroscopic factor for reaction channels. For the astrophysical S-factor of this article the good agreement is achieved In comparison with experimental data and other theoretical methods.

Eigensolutions, Shannon entropy and information energy for modified Tietz-Hua potential

NASA Astrophysics Data System (ADS)

Onate, C. A.; Onyeaju, M. C.; Ituen, E. E.; Ikot, A. N.; Ebomwonyi, O.; Okoro, J. O.; Dopamu, K. O.

2018-04-01

The Tietz-Hua potential is modified by the inclusion of De ( {{Ch - 1}/{1 - C_{h e^{{ - bh ( {r - re } )}} }}} )be^{{ - bh ( {r - re } )}} term to the Tietz-Hua potential model since a potential of such type is very good in the description and vibrational energy levels for diatomic molecules. The energy eigenvalues and the corresponding eigenfunctions are explicitly obtained using the methodology of parametric Nikiforov-Uvarov. By putting the potential parameter b = 0, in the modified Tietz-Hua potential quickly reduces to the Tietz-Hua potential. To show more applications of our work, we have computed the Shannon entropy and Information energy under the modified Tietz-Hua potential. However, the computation of the Shannon entropy and Information energy is an extension of the work of Falaye et al., who computed only the Fisher information under Tietz-Hua potential.

Energy stress-induced lncRNA HAND2-AS1 represses HIF1α-mediated energy metabolism and inhibits osteosarcoma progression

PubMed Central

Kang, Yao; Zhu, Xiaojun; Xu, Yanyang; Tang, Qinglian; Huang, Zongwen; Zhao, Zhiqiang; Lu, Jinchang; Song, Guohui; Xu, Huaiyuan; Deng, Chuangzhong; Wang, Jin

2018-01-01

During recent years, long noncoding RNAs (lncRNAs) have been recognized as key regulators in the development and progression of human cancers, however, their roles in osteosarcoma metabolism are still not well understood. The present study aims to investigate the expression profiles and potential modulation of specific lncRNA(s) in osteosarcoma metabolism. The high-throughput Hiseq sequencing was performed to screen for abnormally expressed lncRNAs in osteosarcoma cells cultured under glucose starvation condition, and lncRNA HAND2-AS1 was eventually identified as one that was significantly up-regulated when compared with normal cultured cells. Mechanistic investigations indicated that knockdown of HAND2-AS1 abrogated the energy stress-induced effect on cell apoptosis and proliferation, and promoted osteosarcoma progression. Moreover, knockdown of HAND2-AS1 promoted glucose uptake, lactate production, and the expression level of a serious of enzymes that involved in energy metabolism. Subsequently, RNA pull-down and RNA immuneprecipitation revealed that, upon energy stress, HAND2-AS1 regulated osteosarcoma metabolism through sequestering FBP1 from binding to HIF1α, thereby releasing HIF1α expression and promoting the protein level. Taken together, our integrated approach reveals a regulatory mechanism by lncRNA HAND2-AS1 to control energy metabolism and tumor development in osteosarcoma. Thus, HAND2-AS1 may be a potential biomarker and therapeutic target for the repression of osteosarcoma metabolism. PMID:29637006

U.S. Department of Energy Pacific Region Clean Energy Application Center (PCEAC)

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

Lipman, Tim; Kammen, Dan; McDonell, Vince

2013-09-30

The U.S. Department of Energy Pacific Region Clean Energy Application Center (PCEAC) was formed in 2009 by the U.S. Department of Energy (DOE) and the California Energy Commission to provide education, outreach, and technical support to promote clean energy -- combined heat and power (CHP), district energy, and waste energy recovery (WHP) -- development in the Pacific Region. The region includes California, Nevada, Hawaii, and the Pacific territories. The PCEAC was operated as one of nine regional clean energy application centers, originally established in 2003/2004 as Regional Application Centers for combined heat and power (CHP). Under the Energy Independence andmore » Security Act of 2007, these centers received an expanded charter to also promote district energy and waste energy recovery, where economically and environmentally advantageous. The centers are working in a coordinated fashion to provide objective information on clean energy system technical and economic performance, direct technical assistance for clean energy projects and additional outreach activities to end users, policy, utility, and industry stakeholders. A key goal of the CEACs is to assist the U.S. in achieving the DOE goal to ramp up the implementation of CHP to account for 20% of U.S. generating capacity by 2030, which is estimated at a requirement for an additional 241 GW of installed clean technologies. Additional goals include meeting the Obama Administration goal of 40 GW of new CHP by 2020, key statewide goals such as renewable portfolio standards (RPS) in each state, California’s greenhouse gas emission reduction goals under AB32, and Governor Brown’s “Clean Energy Jobs Plan” goal of 6.5 GW of additional CHP over the next twenty years. The primary partners in the PCEAC are the Department of Civil and Environmental Engineering and the Energy and Resources Group (ERG) at UC Berkeley, the Advanced Power and Energy Program (APEP) at UC Irvine, and the Industrial Assessment

Potential energy surfaces related to the ion-molecule reaction C/sup +/ + H/sub 2/

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

Liskow, D.H.; Bender, C.F.; Schaefer, H.F. III

1974-10-01

The C/sup +/ + H/sub 2/ ion-molecule reaction has been studied by several experimental groups and appears likely to become the focal point of much experimental and theoretical activity. Ab initio self-consistent-field and configuration interaction calculations have accordingly been carried out for this system. A double zeta basis set of contracted Gaussian functions was employed and as many as 648 configurations included. For isosceles triangle configurations (C/sub 2V/ point group) the /sup 2/A/sub 1/, /sup 2/B/sub 1/, and /sup 2/B/sub 2/ potential surfaces were considered, while for linear geometries (C/sub infinity V) the /sup 2/..sigma../sup +/ and /sup 2/PI surfacesmore » were studied. For general (C/sub S/) geometry, the lowest /sup 2/A' potential surface was considered. Properties reported include minimum energy paths and energy profiles for the various processes considered. The intuitive correlation diagram of Mahan and Sloane is given qualitative reliability. Pathways to CH/sub 2//sup +/ complex formation are shown to depend crucially on the C/sub S/ potential surface.« less

A refined quartic potential energy surface and large scale vibrational calculations for S0 thiophosgene.

PubMed

Rashev, Svetoslav; Moule, David C

2015-04-05

In this work we present a full 6D quartic potential energy surface (PES) for S0 thiophosgene in curvilinear symmetrized bond-angle coordinates. The PES was refined starting from an ab initio field derived from acc-pVTZ basis set with CCSD(T) corrections for electron correlation. In the present calculations we used our variational method that was recently tested on formaldehyde and some of its isotopomers, along with additional improvements. The lower experimentally known vibrational levels for 35Cl2CS were reproduced quite well in the calculations, which can be regarded as a test for the feasibility of the obtained quartic PES. Copyright © 2015 Elsevier B.V. All rights reserved.

Offshore Wind Initiatives at the U.S. Department of Energy

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

None, None

Coastal and Great Lakes states account for nearly 80% of U.S. electricity demand, and the winds off the shores of these coastal load centers have a technical resource potential twice as large as the nation’s current electricity use. With the costs of offshore wind energy falling globally and the first U.S. offshore wind farm installed off the coast of Block Island, Rhode Island in 2016, offshore wind has the potential to contribute significantly to a clean, affordable, and secure national energy mix. To support the development of a world-class offshore wind industry, the U.S. Department of Energy has been supportingmore » a broad portfolio of offshore wind research, development, and demonstration projects since 2011 and released a new National Offshore Wind Strategy jointly with the U.S. Department of the Interior in 2016.« less

The pure rotational spectrum of ZnS (X 1Σ +)

NASA Astrophysics Data System (ADS)

Zack, L. N.; Ziurys, L. M.

2009-10-01

The pure rotational spectrum of ZnS (X 1Σ +) has been measured using direct-absorption millimeter/sub-millimeter techniques in the frequency range 372-471 GHz. This study is the first spectroscopic investigation of this molecule. Spectra originating in four zinc isotopologues ( 64ZnS, 66ZnS, 68ZnS, and 67ZnS) were recorded in natural abundance in the ground vibrational state, and data from the v = 1 state were also measured for the two most abundant zinc species. Spectroscopic constants have been subsequently determined, and equilibrium parameters have been estimated. The equilibrium bond length was calculated to be re ˜ 2.0464 Å, which agrees well with theoretical predictions. In contrast, the dissociation energy of DE ˜ 3.12 eV calculated for ZnS, assuming a Morse potential, was significantly higher than past experimental and theoretical estimates, suggesting diabatic interaction with other potentials that lower the effective dissociation energy. Although ZnS is isovalent with ZnO, there appear to be subtle differences in bonding between the two species, as suggested by their respective force constants and bond length trends in the 3d series.

Measurement of the radiative decay and energy of the metastable $${(2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{(J=0)}$$ level in Fe XVII

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

Beiersdorfer, P.; Lopez-Urrutia, J. R. Crespo; Trabert, E.

Measurements at the Livermore electron beam ion trap have been performed in order to infer the energy and the radiative lifetime of themore » $${(1{s}^{2}2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{J=0}$$ level in the Fe xvii spectrum. This is the longest-lived level in the neonlike iron ion, and its radiative decay produces the Fe xvii line at 1153 Å, feeding the population of the $${(1{s}^{2}2{s}^{2}2{p}_{3/2}^{5}3{s}_{1/2})}_{J=1}$$ upper level of one of the most prominent lines in the Fe xvii L-shell X-ray spectrum, commonly dubbed $3G$. In the presence of a strong ($$\\geqslant $$ few kG) magnetic field, the $${(1{s}^{2}2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{J=0}$$ level has a finite probability to decay directly to the $${(1{s}^{2}2{s}^{2}2{p}^{6})}_{J=0}$$ neonlike ground level via the emission of an L-shell X-ray. Our measurements allow us to observe this X-ray line in the Fe xvii L-shell spectrum and from it to infer the radiative rate for the magnetic dipole decay of the $${(1{s}^{2}2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{J=0}$$ level to the $${(1{s}^{2}2{s}^{2}2{p}_{3/2}^{5}3{s}_{1/2})}_{J=1}$$. Our result of $$(1.45\\pm 0.15)\\times {10}^{4}$$ s-1 is in agreement with predictions. We have also measured the wavelength of the associated X-ray line to be 16.804 ± 0.002 Å, which means that the line is displaced 1.20 ± 0.05 eV from the neighboring $${(2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{J=1}\\to {(2{s}^{2}2{p}^{6})}_{J=0}$$ transition, commonly labeled $3F$. Furthermore, from our measurement, we infer 5950570 ± 710 cm-1 for the energy of the $${(1{s}^{2}2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{J=0}$$ level.« less

Measurement of the radiative decay and energy of the metastable $${(2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{(J=0)}$$ level in Fe XVII

DOE PAGES

Beiersdorfer, P.; Lopez-Urrutia, J. R. Crespo; Trabert, E.

2016-01-20

Measurements at the Livermore electron beam ion trap have been performed in order to infer the energy and the radiative lifetime of themore » $${(1{s}^{2}2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{J=0}$$ level in the Fe xvii spectrum. This is the longest-lived level in the neonlike iron ion, and its radiative decay produces the Fe xvii line at 1153 Å, feeding the population of the $${(1{s}^{2}2{s}^{2}2{p}_{3/2}^{5}3{s}_{1/2})}_{J=1}$$ upper level of one of the most prominent lines in the Fe xvii L-shell X-ray spectrum, commonly dubbed $3G$. In the presence of a strong ($$\\geqslant $$ few kG) magnetic field, the $${(1{s}^{2}2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{J=0}$$ level has a finite probability to decay directly to the $${(1{s}^{2}2{s}^{2}2{p}^{6})}_{J=0}$$ neonlike ground level via the emission of an L-shell X-ray. Our measurements allow us to observe this X-ray line in the Fe xvii L-shell spectrum and from it to infer the radiative rate for the magnetic dipole decay of the $${(1{s}^{2}2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{J=0}$$ level to the $${(1{s}^{2}2{s}^{2}2{p}_{3/2}^{5}3{s}_{1/2})}_{J=1}$$. Our result of $$(1.45\\pm 0.15)\\times {10}^{4}$$ s-1 is in agreement with predictions. We have also measured the wavelength of the associated X-ray line to be 16.804 ± 0.002 Å, which means that the line is displaced 1.20 ± 0.05 eV from the neighboring $${(2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{J=1}\\to {(2{s}^{2}2{p}^{6})}_{J=0}$$ transition, commonly labeled $3F$. Furthermore, from our measurement, we infer 5950570 ± 710 cm-1 for the energy of the $${(1{s}^{2}2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{J=0}$$ level.« less

Saturation wind power potential and its implications for wind energy

PubMed Central

Jacobson, Mark Z.; Archer, Cristina L.

2012-01-01

Wind turbines convert kinetic to electrical energy, which returns to the atmosphere as heat to regenerate some potential and kinetic energy. As the number of wind turbines increases over large geographic regions, power extraction first increases linearly, but then converges to a saturation potential not identified previously from physical principles or turbine properties. These saturation potentials are >250 terawatts (TW) at 100 m globally, approximately 80 TW at 100 m over land plus coastal ocean outside Antarctica, and approximately 380 TW at 10 km in the jet streams. Thus, there is no fundamental barrier to obtaining half (approximately 5.75 TW) or several times the world’s all-purpose power from wind in a 2030 clean-energy economy. PMID:23019353

Ab initio study of the RbSr electronic structure: potential energy curves, transition dipole moments, and permanent electric dipole moments.

PubMed

Pototschnig, Johann V; Krois, Günter; Lackner, Florian; Ernst, Wolfgang E

2014-12-21

Excited states and the ground state of the diatomic molecule RbSr were calculated by post Hartree-Fock molecular orbital theory up to 22 000 cm(-1). We applied a multireference configuration interaction calculation based on multiconfigurational self-consistent field wave functions. Both methods made use of effective core potentials and core polarization potentials. Potential energy curves, transition dipole moments, and permanent electric dipole moments were determined for RbSr and could be compared with other recent calculations. We found a good agreement with experimental spectra, which have been obtained recently by helium nanodroplet isolation spectroscopy. For the lowest two asymptotes (Rb (5s (2)S) + Sr (5s4d (3)P°) and Rb (5p (2)P°) + Sr (5s(2) (1)S)), which exhibit a significant spin-orbit coupling, we included relativistic effects by two approaches, one applying the Breit-Pauli Hamiltonian to the multireference configuration interaction wave functions, the other combining a spin-orbit Hamiltonian and multireference configuration interaction potential energy curves. Using the results for the relativistic potential energy curves that correspond to the Rb (5s (2)S) + Sr (5s4d (3)P°) asymptote, we have simulated dispersed fluorescence spectra as they were recently measured in our lab. The comparison with experimental data allows to benchmark both methods and demonstrate that spin-orbit coupling has to be included for the lowest states of RbSr.

Achieving wood energy potentials: evidence in northeastern Minnesota.

Treesearch

Dennis P. Bradley; David C. Lothner

1987-01-01

A study of wood energy potential in northeastern Minnesota concludes that (1) the forests of the region could support a much larger wood energy harvest without significant cost increases for other forest products; (2) existing stands are predominantly overmature and cutting more now will enhance future wood supplies for all users; (3) converting to wood energy could...

Intramolecular Vibrational Energy Redistribution (ivr) in Selected S_{1} Levels above 1000 cm^{-1} in Para-Fluorotoluene

NASA Astrophysics Data System (ADS)

Whalley, Laura E.; Gardner, Adrian M.; Tuttle, William Duncan; Davies, Julia A.; Reid, Katharine L.; Wright, Timothy G.

2017-06-01

With increasing vibrational wavenumber, the density of states of a molecule is expected to rise dramatically, especially so when low wavenumber torsions (internal rotations) are present, as in the case of para-fluorotoluene (pFT). This in turn is expected to lead to more opportunities for coupling between vibrational modes, which is the driving force for intramolecular vibrational energy redistribution (IVR). Previous studies at higher energies have focussed on the two close lying vibrational levels at 1200 cm^{-1} in the S_{1} electronic state of pFT which were assigned to two zero-order bright states (ZOBSs), whose characters predominantly involve C-CH_{3} and C-F stretching modes. A surprising result of these studies was that the photoelectron spectra showed evidence that IVR is more extensive following excitation of the C-F mode than it is following excitation of the C-CH_{3} mode, despite these levels being separated by only 35 cm^{-1}. This observation provides evidence that the IVR dynamics are mode-specific, which in turn may be a consequence of the IVR route being dependent on couplings to nearby states that are only available to the C-F mode. In this work, in order to further investigate this behaviour, we have employed resonance-enhanced multiphoton ionisation (REMPI) spectroscopy and zero-kinetic-energy (ZEKE) spectroscopy to probe S_{1} levels above 1000 cm^{-1} in pFT. Such ZEKE spectra have been recorded via a number of S_{1} intermediate levels allowing the character and coupling between vibrations to be unravelled; the consequence of this coupling will be discussed with a view to understanding any IVR dynamics seen. C. J. Hammond, V. L. Ayles, D. E. Bergeron, K. L. Reid and T. G. Wright, J. Chem. Phys., 125, 124308 (2006) J. A. Davies, A. M. Green, A. M. Gardner, C. D. Withers, T. G. Wright and K. L. Reid, Phys. Chem. Chem. Phys., 16, 430 (2014)

Assessing the Potential for Renewable Energy on Public Lands

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

Not Available

2003-02-01

This report represents an initial activity of the Bureau of Land Managements (BLM) proposed National Energy Policy Implementation Plan: identify and evaluate renewable energy resources on federal lands and any limitations on accessing them. Ultimately, BLM will prioritize land-use planning activities to increase industrys development of renewable energy resources. These resources include solar, biomass, geothermal, water, and wind energy. To accomplish this, BLM and the Department of Energys National Renewable Energy Laboratory (NREL) established a partnership to conduct an assessment of renewable energy resources on BLM lands in the western United States. The objective of this collaboration was to identifymore » BLM planning units in the western states with the highest potential for private-sector development of renewable resources. The assessment resulted in the following findings: (1) 63 BLM planning units in nine western states have high potential for one or more renewable energy technologies; and (2) 20 BLM planning units in seven western states have high potential for power production from three or more renewable energy sources. This assessment report provides BLM with information needed to prioritize land-use planning activities on the basis of potential for the development of energy from renewable resources.« less

A new empirical potential energy function for Ar2

NASA Astrophysics Data System (ADS)

Myatt, Philip T.; Dham, Ashok K.; Chandrasekhar, Pragna; McCourt, Frederick R. W.; Le Roy, Robert J.

2018-06-01

A critical re-analysis of all available spectroscopic and virial coefficient data for Ar2 has been used to determine an improved empirical analytic potential energy function that has been 'tuned' to optimise its agreement with viscosity, diffusion and thermal diffusion data, and whose short-range behaviour is in reasonably good agreement with the most recent ab initio calculations for this system. The recommended Morse/long-range potential function is smooth and differentiable at all distances, and incorporates both the correct theoretically predicted long-range behaviour and the correct limiting short-range functional behaviour. The resulting value of the well depth is ? cm-1 and the associated equilibrium distance is re = 3.766 (±0.002) Å, while the 40Ar s-wave scattering length is -714 Å.

Achieving Land, Energy, and Environmental Compatibility: Utility-Scale Solar Energy Potential and Land-Use in California

NASA Astrophysics Data System (ADS)

Hoffacker, M. K.; Hernandez, R. R.; Field, C. B.

2013-12-01

Solar energy is an archetype renewable energy technology with great potential to reduce greenhouse gas emissions when substituted for carbon-intensive energy. Utility-scale solar energy (USSE; i.e., > 1 MW) necessitates large quantities of space making the efficient use of land for USSE development critical to realizing its full potential. However, studies elucidating the interaction between land-use and utility-scale solar energy (USSE) are limited. In this study, we assessed 1) the theoretical and technical potential of terrestrial-based USSE systems, and 2) land-use and land-cover change impacts from actual USSE installations (> 20 MW; planned, under construction, operating), using California as a case study due to its early adoption of renewable energy systems, unique constraints on land availability, immense energy demand, and vast natural resources. We used topo-climatic (e.g., slope, irradiance), infrastructural (e.g., proximity to transmission lines), and ecological constraints (e.g., threatened and endangered species) to determine highly favorable, favorable, and unfavorable locations for USSE and to assess its technical potential. We found that the theoretical potential of photovoltaic (PV) and concentrating solar power (CSP) in California is 26,097 and 29,422 kWh/m2/day, respectively. We identified over 150 planned, under construction, and operating USSE installations in California, ranging in size from 20 to 1,000 MW. Currently, 29% are located on shrub- and scrublands, 23% on cultivated crop land, 13% on pasture/hay areas, 11% on grassland/herbaceous and developed open space, and 7% in the built environment. Understanding current land-use decisions of USSE systems and assessing its future potential can be instructive for achieving land, energy, and environmental compatibility, especially for other global regions that share similar resource demands and limitations.

Oscillation of Branching Ratios Between the D(2s)+D(1s) and the D(2p)+D(1s) Channels in Direct Photodissociation of D_{2}.

PubMed

Wang, Jie; Meng, Qingnan; Mo, Yuxiang

2017-08-04

The direct photodissociation of D_{2} at excitation energies above 14.76 eV occurs via two channels, D(2s)+D(1s) and D(2p)+D(1s). The branching ratios between the two have been measured from the dissociation threshold to 3200 cm^{-1} above it, and it is found that they show cosine oscillations as a function of the fragment wave vector magnitudes. The oscillation is due to an interference effect and can be simulated using the phase difference between the wave functions of the two channels, analogous to Young's double-slit experiment. By fitting the measured branching ratios, we have determined the depths and widths of the effective spherical potential wells related to the two channels, which are in agreement with the effective depths and widths of the ab initio interaction potentials. The results of this Letter illustrate the importance of the relative phase between the fragments in controlling the branching ratios of the photodissociation channels.

Oscillation of Branching Ratios Between the D (2 s )+D (1 s ) and the D (2 p )+D (1 s ) Channels in Direct Photodissociation of D2

NASA Astrophysics Data System (ADS)

Wang, Jie; Meng, Qingnan; Mo, Yuxiang

2017-08-01

The direct photodissociation of D2 at excitation energies above 14.76 eV occurs via two channels, D (2 s )+D (1 s ) and D (2 p )+D (1 s ) . The branching ratios between the two have been measured from the dissociation threshold to 3200 cm-1 above it, and it is found that they show cosine oscillations as a function of the fragment wave vector magnitudes. The oscillation is due to an interference effect and can be simulated using the phase difference between the wave functions of the two channels, analogous to Young's double-slit experiment. By fitting the measured branching ratios, we have determined the depths and widths of the effective spherical potential wells related to the two channels, which are in agreement with the effective depths and widths of the ab initio interaction potentials. The results of this Letter illustrate the importance of the relative phase between the fragments in controlling the branching ratios of the photodissociation channels.

Vehicle lightweighting energy use impacts in U.S. light-duty vehicle fleet

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

Das, Sujit; Graziano, Diane; Upadhyayula, Venkata K. K.

In this article, we estimate the potential energy benefits of lightweighting the light-duty vehicle fleet from both vehicle manufacturing and use perspectives using plausible lightweight vehicle designs involving several alternative lightweight materials, low- and high-end estimates of vehicle manufacturing energy, conventional and alternative powertrains, and two different market penetration scenarios for alternative powertrain light-duty vehicles at the fleet level. Cumulative life cycle energy savings (through 2050) across the nine material scenarios based on the conventional powertrain in the U.S. vehicle fleet range from -29 to 94 billion GJ, with the greatest savings achieved by multi-material vehicles that select different lightweightmore » materials to meet specific design purposes. Lightweighting alternative-powertrain vehicles could produce significant energy savings in the U.S. vehicle fleet, although their improved powertrain efficiencies lessen the energy savings opportunities for lightweighting. A maximum level of cumulative energy savings of lightweighting the U.S. light-duty vehicle through 2050 is estimated to be 66.1billion GJ under the conventional-vehicle dominated business-as-usual penetration scenario.« less

Accurate double many-body expansion potential energy surface for the 2(1)A' state of N2O.

PubMed

Li, Jing; Varandas, António J C

2014-08-28

An accurate double many-body expansion potential energy surface is reported for the 2(1)A' state of N2O. The new double many-body expansion (DMBE) form has been fitted to a wealth of ab initio points that have been calculated at the multi-reference configuration interaction level using the full-valence-complete-active-space wave function as reference and the cc-pVQZ basis set, and subsequently corrected semiempirically via double many-body expansion-scaled external correlation method to extrapolate the calculated energies to the limit of a complete basis set and, most importantly, the limit of an infinite configuration interaction expansion. The topographical features of the novel potential energy surface are then examined in detail and compared with corresponding attributes of other potential functions available in the literature. Exploratory trajectories have also been run on this DMBE form with the quasiclassical trajectory method, with the thermal rate constant so determined at room temperature significantly enhancing agreement with experimental data.

The Potential of Geothermal as a Major Supplier of U.S. Primary Energy using EGS technology

NASA Astrophysics Data System (ADS)

Tester, J. W.

2012-12-01

Recent national focus on the value of increasing our supply of indigenous, renewable energy underscores the need for re-evaluating all alternatives, particularly those that are large and well-distributed nationally. To transition from our current hydrocarbon-based energy system, we will need to expand and diversify the portfolio of options we currently have. One such option that has been undervalued and often ignored completely in national assessments is geothermal energy from both conventional hydrothermal resources and enhanced or engineered geothermal systems (EGS). Although geothermal energy is currently used for both electric and non-electric applications worldwide from conventional hydrothermal resources and in groundsource heat pumps, most of the emphasis in the US has been generating electricity. For example, a 2006 MIT-led study focused on the potential for EGS to provide 100,000 MWe of base-load electric generating capacity in the US by 2050. Since that time, a Cornell-led study has evaluated the potential for geothermal to meet the more than 25 EJ per year demand in the US for low temperature thermal energy for heating and other direct process applications Field testing of EGS in the US, Europe, and Australia is reviewed to outline what remains to be done for large-scale deployment. Research, Development and Demonstration (RD&D) needs in five areas important to geothermal deployment on a national scale will be reviewed: 1. Resource - estimating the magnitude and distribution of the US resource 2. Reservoir Technology - establishing requirements for extracting and utilizing energy from EGS reservoirs including drilling, reservoir design and stimulation 3. Utilization - exploring end use options for district heating, electricity generation and co-generation. 4. Environmental impacts and tradeoffs -- dealing with water and land use and seismic risk and quantifying the reduction in carbon emissions with increased deployment 5. Economics - projecting costs

U.S. DOE Southeast Clean Energy Application Center

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

Panzarella, Isaac; Mago, Pedro; Kalland, Stephen

2013-12-31

Between 2010 and 2013, the U.S. Department of Energy (DOE) funded the Southeast Clean Energy Application Center (SE-CEAC), co-located at the North Carolina Solar Center at NC State University (NCSU) and at Mississippi State University. The SE-CEAC was one of eight regional CEACs established to promote and assist in transforming the market for combined heat and power (CHP), district energy (DE) and waste heat to power (WHP) throughout the U.S. CHP locates power generation at the point of demand and makes productive use of the residual thermal energy for process and space heating in factories and businesses, thus lowering themore » cost of meeting electricity and heat requirements and increasing energy efficiency. The overall goal of the SE-CEAC was to support end-user implementation and overall market transformation for CHP and related clean energy technologies. Five objectives were targeted to achieve the goal: 1. Market Analysis and Information Dissemination 2. Outreach and Education for Potential CHP End-users 3. Policy Support for State and Regional Stakeholders 4. Technical Assistance to Support CHP Deployment 5. Collaboration with DOE and other CEACs Throughout the project, the CEACs provided key services of education and outreach, technical assistance and market analysis in support of project objectives. These services were very effective at achieving key objectives of assisting prospective CHP end-users and informing policy makers, utilities and others about the benefits of CHP. There is a marked increase in the awareness of CHP technologies and applications as an energy resource among end-users, policymakers, utility regulators, electric utilities and natural gas utilities in the Southeast region as a result. At the end of 2013, a number of best-practice policies for CHP were applied or under consideration in various Southeast states. The SE-CEAC met its targets for providing technical assistance with over 50 analyses delivered for 412 MW of potential end

Dielectron widths of the Gamma(1S,2S,3S) resonances.

PubMed

Rosner, J L; Adam, N E; Alexander, J P; Berkelman, K; Cassel, D G; Duboscq, J E; Ecklund, K M; Ehrlich, R; Fields, L; Galik, R S; Gibbons, L; Gray, R; Gray, S W; Hartill, D L; Heltsley, B K; Hertz, D; Jones, C D; Kandaswamy, J; Kreinick, D L; Kuznetsov, V E; Mahlke-Krüger, H; Meyer, T O; Onyisi, P U E; Patterson, J R; Peterson, D; Phillips, E A; Pivarski, J; Riley, D; Ryd, A; Sadoff, A J; Schwarthoff, H; Shi, X; Stroiney, S; Sun, W M; Wilksen, T; Weinberger, M; Athar, S B; Avery, P; Breva-Newell, L; Patel, R; Potlia, V; Stoeck, H; Yelton, J; Rubin, P; Cawlfield, C; Eisenstein, B I; Karliner, I; Kim, D; Lowrey, N; Naik, P; Sedlack, C; Selen, M; White, E J; Wiss, J; Shepherd, M R; Besson, D; Pedlar, T K; Cronin-Hennessy, D; Gao, K Y; Gong, D T; Hietala, J; Kubota, Y; Klein, T; Lang, B W; Poling, R; Scott, A W; Smith, A; Dobbs, S; Metreveli, Z; Seth, K K; Tomaradze, A; Zweber, P; Ernst, J; Arms, K; Severini, H; Dytman, S A; Love, W; Mehrabyan, S; Savinov, V; Aquines, O; Li, Z; Lopez, A; Mendez, H; Ramirez, J; Huang, G S; Miller, D H; Pavlunin, V; Sanghi, B; Shipsey, I P J; Xin, B; Adams, G S; Anderson, M; Cummings, J P; Danko, I; Napolitano, J; He, Q; Insler, J; Muramatsu, H; Park, C S; Thorndike, E H; Coan, T E; Gao, Y S; Liu, F; Stroynowski, R; Artuso, M; Blusk, S; Butt, J; Li, J; Menaa, N; Mountain, R; Nisar, S; Randrianarivony, K; Redjimi, R; Sia, R; Skwarnicki, T; Stone, S; Wang, J C; Zhang, K; Csorna, S E; Bonvicini, G; Cinabro, D; Dubrovin, M; Lincoln, A; Asner, D M; Edwards, K W; Briere, R A; Chen, J; Ferguson, T; Tatishvili, G; Vogel, H; Watkins, M E

2006-03-10

We determine the dielectron widths of the Gamma(1S), Gamma(2S), and Gamma(3S) resonances with better than 2% precision by integrating the cross section of e+e- -->Gamma over the e+e- center-of-mass energy. Using e+e- energy scans of the Gamma resonances at the Cornell Electron Storage Ring and measuring Gamma production with the CLEO detector, we find dielectron widths of 1.252+/-0.004(sigma(stat))+/-0.019(sigma(syst)) keV, 0.581+/-0.004+/-0.009 keV, and 0.413+/-0.004+/-0.006 keV for the Gamma(1S), Gamma(2S), and Gamma(3S), respectively.

Potentiation of C1-esterase inhibitor by heparin and interactions with C1s protease as assessed by surface plasmon resonance.

PubMed

Rajabi, Mohsen; Struble, Evi; Zhou, Zhaohua; Karnaukhova, Elena

2012-01-01

Human C1-esterase inhibitor (C1-INH) is a multifunctional plasma protein with a wide range of inhibitory and non-inhibitory properties, mainly recognized as a key down-regulator of the complement and contact cascades. The potentiation of C1-INH by heparin and other glycosaminoglycans (GAGs) regulates a broad spectrum of C1-INH activities in vivo both in normal and disease states. SCOPE OF RESEARCH: We have studied the potentiation of human C1-INH by heparin using Surface Plasmon Resonance (SPR), circular dichroism (CD) and a functional assay. To advance a SPR for multiple-unit interaction studies of C1-INH we have developed a novel (consecutive double capture) approach exploring different immobilization and layout. Our SPR experiments conducted in three different design versions showed marked acceleration in C1-INH interactions with complement protease C1s as a result of potentiation of C1-INH by heparin (from 5- to 11-fold increase of the association rate). Far-UV CD studies suggested that heparin binding did not alter C1-INH secondary structure. Functional assay using chromogenic substrate confirmed that heparin does not affect the amidolytic activity of C1s, but does accelerate its consumption due to C1-INH potentiation. This is the first report that directly demonstrates a significant acceleration of the C1-INH interactions with C1s due to heparin by using a consecutive double capture SPR approach. The results of this study may be useful for further C-INH therapeutic development, ultimately for the enhancement of current C1-INH replacement therapies. Published by Elsevier B.V.

Technology Prioritization: Transforming the U.S. Building Stock to Embrace Energy Efficiency

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

Abdelaziz, Omar; Farese, Philip; Abramson, Alexis

2013-01-01

The U.S. Buildings sector is responsible for about 40% of the national energy expenditures. This is due in part to wasteful use of resources and limited considerations made for energy efficiency during the design and retrofit phases. Recent studies have indicated the potential for up to 30-50% energy savings in the U.S. buildings sector using currently available technologies. This paper discusses efforts to accelerate the transformation in the U.S. building energy efficiency sector using a new technology prioritization framework. The underlying analysis examines building energy use micro segments using the Energy Information Administration Annual Energy Outlook and other publically availablemore » information. The tool includes a stock-and-flow model to track stock vintage and efficiency levels with time. The tool can be used to investigate energy efficiency measures under a variety of scenarios and has a built-in energy accounting framework to prevent double counting of energy savings within any given portfolio. This tool is developed to inform decision making and estimate long term potential energy savings for different market adoption scenarios.« less

Master Limited Partnerships and Real Estate Investment Trusts: Opportunities and Potential Complications for Renewable Energy

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

Feldman, D.; Settle, E.

2013-11-01

Master Limited Partnerships (MLPs) and Real Estate Investment Trusts (REITs) are two proposed investment vehicles which have the potential to lower renewable energy assets' high cost of capital; a critical factor in the Department of Energy's goal for renewable energy to achieve grid-parity with traditional sources of electric generation. Due to current U.S. federal income tax laws, regulations, and administrative interpretations, REITs and MLPs cannot finance a significant portion of the cost of renewable energy assets. Efforts are underway to alter these rules by changing the definition of 'real property' (REIT) and 'qualified income' (MLP). However, even with rule changes,more » both investment vehicles have structural challenges to efficiently finance renewable energy assets. Among them are 1) effectively utilizing the U.S. federal income tax incentives; 2) administratively structuring the investments to not be overly onerous or complicated, given the potential for pooling a relatively large amount of small assets; and 3) attracting and retaining a large enough investment community to participate in the funding opportunities. This report summarizes these challenges so that if proposed federal changes are made, stakeholders have an understanding of the possible outcomes.« less

ResStock - Targeting Energy and Cost Savings for U.S. Homes | NREL

Science.gov Websites

ResStock - Targeting Energy and Cost Savings for U.S. Homes Science and Technology Highlights Highlights in Research & Development ResStock - Targeting Energy and Cost Savings for U.S. Homes Key discovered $49 billion in potential annual utility bill savings through cost-effective energy efficiency

U.S. Energy-Related Carbon Dioxide Emissions

EIA Publications

2017-01-01

U.S. Energy Information Administration releases its online analysis of 2016 energy-related carbon dioxide emissions today. It indicates U.S. carbon dioxide emissions from the consumption of fossil fuels were 5,170 million metric tons carbon dioxide in 2016, a decrease of 1.7 percent from the 2015 level. Energy-related carbon dioxide emissions have declined in six of the last ten years. This analysis is based on data contained in the August 2017 Monthly Energy Review.

Ab initio calculation of potential energy surfaces for the three lowest triplet states (1 3A'',1 3A,2 3A'') of PH(X,A)-He

NASA Astrophysics Data System (ADS)

Kolczewski, Ch.; Fink, K.; Staemmler, V.; Neitsch, L.

1997-05-01

Quantum chemical ab initio calculations at the complete active space SCF level and with inclusion of correlation effects have been performed for the potential energy surfaces of PH in its X 3Σ- ground state and its first excited triplet state, A 3Π, colliding with He atoms. The PH distance was fixed at its experimental value (of the A 3Π state), the PH-He distance and the HePH angle were varied. All three potential energy surfaces [1 3A'' for PH(X)-He and 1 3A,2 3A'' for the two components of PH(A)-He] are purely repulsive, except for very shallow van der Waals minima with well depths of about 15-40 cm-1. The interaction potentials decay approximately exponentially with increasing PH-He distance and show large angular anisotropies. Legendre expansions for the angular dependence of the potential surfaces converge slowly for V(1 3A'') and the sum potential 1/2[V(2 3A'')+V(1 3A)], but rapidly for the corresponding difference potential 1/2[V(2 3A'')-V(1 3A)]. The present PH(A)-He potentials have been used in the companion paper by Neitsch et al. [J. Chem. Phys. 106, 7642 (1997)], for the calculation of thermal state-to-state rate constants for inelastic PH(A)-He collisions.

Promoting International Energy Security. Volume 1: Understanding Potential Air Force Roles

DTIC Science & Technology

2012-01-01

obtain additional information, contact Distribution Services: Telephone: (310) 451 -7002; Fax: (310) 451 -6915; Email: order@rand.org Library of...raise the temperature of one pound of water one degree Fahrenheit ) DoD Department of Defense EIA U.S. Energy Information Administration IEA International

A search for very high-energy flares from the microquasars GRS 1915+105, Circinus X-1, and V4641 Sgr using contemporaneous H.E.S.S. and RXTE observations

NASA Astrophysics Data System (ADS)

H.E.S.S. Collaboration; Abdalla, H.; Abramowski, A.; Aharonian, F.; Ait Benkhali, F.; Akhperjanian, A. G.; Angüner, E. O.; Arrieta, M.; Aubert, P.; Backes, M.; Balzer, A.; Barnard, M.; Becherini, Y.; Becker Tjus, J.; Berge, D.; Bernhard, S.; Bernlöhr, K.; Birsin, E.; Blackwell, R.; Böttcher, M.; Boisson, C.; Bolmont, J.; Bordas, P.; Bregeon, J.; Brun, F.; Brun, P.; Bryan, M.; Bulik, T.; Capasso, M.; Carr, J.; Casanova, S.; Chadwick, P. M.; Chakraborty, N.; Chalme-Calvet, R.; Chaves, R. C. G.; Chen, A.; Chevalier, J.; Chrétien, M.; Colafrancesco, S.; Cologna, G.; Condon, B.; Conrad, J.; Couturier, C.; Cui, Y.; Davids, I. D.; Degrange, B.; Deil, C.; deWilt, P.; Dickinson, H. J.; Djannati-Ataï, A.; Domainko, W.; Donath, A.; Drury, L. O.'C.; Dubus, G.; Dutson, K.; Dyks, J.; Dyrda, M.; Edwards, T.; Egberts, K.; Eger, P.; Ernenwein, J.-P.; Eschbach, S.; Farnier, C.; Fegan, S.; Fernandes, M. V.; Fiasson, A.; Fontaine, G.; Förster, A.; Funk, S.; Füßling, M.; Gabici, S.; Gajdus, M.; Gallant, Y. A.; Garrigoux, T.; Giavitto, G.; Giebels, B.; Glicenstein, J. F.; Gottschall, D.; Goyal, A.; Grondin, M.-H.; Grudzińska, M.; Hadasch, D.; Hahn, J.; Hawkes, J.; Heinzelmann, G.; Henri, G.; Hermann, G.; Hervet, O.; Hillert, A.; Hinton, J. A.; Hofmann, W.; Hoischen, C.; Holler, M.; Horns, D.; Ivascenko, A.; Jacholkowska, A.; Jamrozy, M.; Janiak, M.; Jankowsky, D.; Jankowsky, F.; Jingo, M.; Jogler, T.; Jouvin, L.; Jung-Richardt, I.; Kastendieck, M. A.; Katarzyński, K.; Katz, U.; Kerszberg, D.; Khélifi, B.; Kieffer, M.; King, J.; Klepser, S.; Klochkov, D.; Kluźniak, W.; Kolitzus, D.; Komin, Nu.; Kosack, K.; Krakau, S.; Kraus, M.; Krayzel, F.; Krüger, P. P.; Laffon, H.; Lamanna, G.; Lau, J.; Lees, J.-P.; Lefaucheur, J.; Lefranc, V.; Lemière, A.; Lemoine-Goumard, M.; Lenain, J.-P.; Leser, E.; Lohse, T.; Lorentz, M.; Liu, R.; Lypova, I.; Marandon, V.; Marcowith, A.; Mariaud, C.; Marx, R.; Maurin, G.; Maxted, N.; Mayer, M.; Meintjes, P. J.; Menzler, U.; Meyer, M.; Mitchell, A. M. W.; Moderski, R.; Mohamed, M.; Morå, K.; Moulin, E.; Murach, T.; de Naurois, M.; Niederwanger, F.; Niemiec, J.; Oakes, L.; Odaka, H.; Öttl, S.; Ohm, S.; Ostrowski, M.; Oya, I.; Padovani, M.; Panter, M.; Parsons, R. D.; Paz Arribas, M.; Pekeur, N. W.; Pelletier, G.; Petrucci, P.-O.; Peyaud, B.; Pita, S.; Poon, H.; Prokhorov, D.; Prokoph, H.; Pühlhofer, G.; Punch, M.; Quirrenbach, A.; Raab, S.; Reimer, A.; Reimer, O.; Renaud, M.; de los Reyes, R.; Rieger, F.; Romoli, C.; Rosier-Lees, S.; Rowell, G.; Rudak, B.; Rulten, C. B.; Sahakian, V.; Salek, D.; Sanchez, D. A.; Santangelo, A.; Sasaki, M.; Schlickeiser, R.; Schüssler, F.; Schulz, A.; Schwanke, U.; Schwemmer, S.; Seyffert, A. S.; Shafi, N.; Shilon, I.; Simoni, R.; Sol, H.; Spanier, F.; Spengler, G.; Spies, F.; Stawarz, Ł.; Steenkamp, R.; Stegmann, C.; Stinzing, F.; Stycz, K.; Sushch, I.; Tavernet, J.-P.; Tavernier, T.; Taylor, A. M.; Terrier, R.; Tluczykont, M.; Trichard, C.; Tuffs, R.; van der Walt, J.; van Eldik, C.; van Soelen, B.; Vasileiadis, G.; Veh, J.; Venter, C.; Viana, A.; Vincent, P.; Vink, J.; Voisin, F.; Völk, H. J.; Vuillaume, T.; Wadiasingh, Z.; Wagner, S. J.; Wagner, P.; Wagner, R. M.; White, R.; Wierzcholska, A.; Willmann, P.; Wörnlein, A.; Wouters, D.; Yang, R.; Zabalza, V.; Zaborov, D.; Zacharias, M.; Zdziarski, A. A.; Zech, A.; Zefi, F.; Ziegler, A.; Żywucka, N.

2018-04-01

Context. Microquasars are potential γ-ray emitters. Indications of transient episodes of γ-ray emission were recently reported in at least two systems: Cyg X-1 and Cyg X-3. The identification of additional γ-ray-emitting microquasars is required to better understand how γ-ray emission can be produced in these systems. Aim. Theoretical models have predicted very high-energy (VHE) γ-ray emission from microquasars during periods of transient outburst. Observations reported herein were undertaken with the objective of observing a broadband flaring event in the γ-ray and X-ray bands. Methods: Contemporaneous observations of three microquasars, GRS 1915+105, Circinus X-1, and V4641 Sgr, were obtained using the High Energy Spectroscopic System (H.E.S.S.) telescope array and the Rossi X-ray Timing Explorer (RXTE) satellite. X-ray analyses for each microquasar were performed and VHE γ-ray upper limits from contemporaneous H.E.S.S. observations were derived. Results: No significant γ-ray signal has been detected in any of the three systems. The integral γ-ray photon flux at the observational epochs is constrained to be I(>560 GeV) < 7.3 × 10-13 cm-2 s-1, I(>560 GeV ) < 1.2 × 10-12 cm-2 s-1, and I(>240 GeV) < 4.5 × 10-12 cm-2 s-1 for GRS 1915+105, Circinus X-1, and V4641 Sgr, respectively. Conclusions: The γ-ray upper limits obtained using H.E.S.S. are examined in the context of previous Cherenkov telescope observations of microquasars. The effect of intrinsic absorption is modelled for each target and found to have negligible impact on the flux of escaping γ-rays. When combined with the X-ray behaviour observed using RXTE, the derived results indicate that if detectable VHE γ-ray emission from microquasars is commonplace, then it is likely to be highly transient.

First-principles study on the bulk and (1 1 1) surface half-metallicity of KS and RbS in CsCl structure

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

Li, Lei; Lei, Gang; Gao, Qiang

2015-08-15

Graphical abstract: Spin-polarized total and atomic DOS at S-(1 1 1) terminated slab and bulk in CsCl-type RbS. - Highlights: • The half metallic properties of CsCl-type RbS and KS have been studied. • The RbS's and KS's (1 1 1) slabs have been investigated. • Surface energy of RbS's and KS's (1 1 1) slabs are calculated. - Abstract: The electronic and magnetic properties of RbS and KS in CsCl structure have been investigated by using the full-potential local-orbital minimum-basis method. Calculating the relation between the total energies and lattice parameters for RbS and KS, we find out thatmore » the equilibrium lattice parameters are 4.02 Å and 3.84 Å for RbS and KS, respectively. According to our calculations in generalized gradient approximation approximation, both RbS and KS are half-metallic ferromagnets with the magnetic moments of 1 μ{sub B} per formula unit, and band gap of 4.287 eV for RbS and 4.395 eV for KS. We also have studied the electronic and magnetic properties of (1 1 1) surfaces of RbS and KS, and have found out that the half-metallicity of their bulk is preserved in all of those surfaces. Finally, through the calculations of formation energy of RbS and KS, it is found that their thin films are stable in the equilibrium conditions, and the Rb-terminated (1 1 1) slab of RbS and the K-terminated (1 1 1) slab of KS are more stable than their S-terminated (1 1 1) slabs. All of the above properties lead the compounds of RbS and KS in CsCl structure to be promising candidates for spintronic applications.« less

Induced Seismicity Potential of Energy Technologies

NASA Astrophysics Data System (ADS)

Hitzman, Murray

2013-03-01

Earthquakes attributable to human activities-``induced seismic events''-have received heightened public attention in the United States over the past several years. Upon request from the U.S. Congress and the Department of Energy, the National Research Council was asked to assemble a committee of experts to examine the scale, scope, and consequences of seismicity induced during fluid injection and withdrawal associated with geothermal energy development, oil and gas development, and carbon capture and storage (CCS). The committee's report, publicly released in June 2012, indicates that induced seismicity associated with fluid injection or withdrawal is caused in most cases by change in pore fluid pressure and/or change in stress in the subsurface in the presence of faults with specific properties and orientations and a critical state of stress in the rocks. The factor that appears to have the most direct consequence in regard to induced seismicity is the net fluid balance (total balance of fluid introduced into or removed from the subsurface). Energy technology projects that are designed to maintain a balance between the amount of fluid being injected and withdrawn, such as most oil and gas development projects, appear to produce fewer seismic events than projects that do not maintain fluid balance. Major findings from the study include: (1) as presently implemented, the process of hydraulic fracturing for shale gas recovery does not pose a high risk for inducing felt seismic events; (2) injection for disposal of waste water derived from energy technologies does pose some risk for induced seismicity, but very few events have been documented over the past several decades relative to the large number of disposal wells in operation; and (3) CCS, due to the large net volumes of injected fluids suggested for future large-scale carbon storage projects, may have potential for inducing larger seismic events.

Far-Infrared and Raman Spectra and The Ring-Twisting Potential Energy Function of 1,3-Cyclohexadiene

NASA Astrophysics Data System (ADS)

Autrey, Daniel; Choo, Jaebum; Laane, Jaan

2001-10-01

The nu19 (A2) ring-twisting vibration of 1,3-cyclohexadiene has been analyzed from the vapor-phase Raman and infrared spectra. The Raman spectrum shows nine ring-twisting transitions in the 116 - 199 cm-1 region. The far-infrared spectrum confirms five of these transitions, despite the fact that the vibration is infrared forbidden in the C2v (planar) approximation. Other Raman and infrared combination bands verify the assignments and provide information on the vibrational coupling. A coordinate dependent kinetic energy expansion for the ring-twisting motion was calculated, and this was used to determine the ring-twisting potential function, which has a barrier to planarity of 1132 cm-1 and energy minima corresponding to twisting angles of 9.1º and 30.1º. Ab initio calculations were also carried out using Moller-Plesset perturbation theory (MP2) with a large number of different basis sets. The various ab initio calculations gave barriers to planarity in the 1197 - 1593 cm-1 range and calculated vibrational frequencies in excellent agreement with the experimental values.

Residential energy efficiency: Progress since 1973 and future potential

NASA Astrophysics Data System (ADS)

Rosenfeld, Arthur H.

1985-11-01

Today's 85 million U.S. homes use 100 billion of fuel and electricity (1150/home). If their energy intensity (resource energy/ft2) were still frozen at 1973 levels, they would use 18% more. With well-insulated houses, need for space heat is vanishing. Superinsulated Saskatchewan homes spend annually only 270 for space heat, 150 for water heat, and 400 for appliances, yet they cost only 2000±1000 more than conventional new homes. The concept of Cost of Conserved Energy (CCE) is used to rank conservation technologies for existing and new homes and appliances, and to develop supply curves of conserved energy and a least cost scenario. Calculations are calibrated with the BECA and other data bases. By limiting investments in efficiency to those whose CCE is less than current fuel and electricity prices, the potential residential plus commercial energy use in 2000 AD drops to half of that estimated by DOE, and the number of power plants needed drops by 200. For the whole buildings sector, potential savings by 2000 are 8 Mbod (worth 50B/year), at an average CCE of 10/barrel.

Alaska's renewable energy potential.

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

Not Available

2009-02-01

This paper delivers a brief survey of renewable energy technologies applicable to Alaska's climate, latitude, geography, and geology. We first identify Alaska's natural renewable energy resources and which renewable energy technologies would be most productive. e survey the current state of renewable energy technologies and research efforts within the U.S. and, where appropriate, internationally. We also present information on the current state of Alaska's renewable energy assets, incentives, and commercial enterprises. Finally, we escribe places where research efforts at Sandia National Laboratories could assist the state of Alaska with its renewable energy technology investment efforts.

Online, interactive assessment of geothermal energy potential in the U.S

NASA Astrophysics Data System (ADS)

Allison, M. L.; Richard, S. M.; Clark, R.; Coleman, C.; Love, D.; Pape, E.; Musil, L.

2011-12-01

Geothermal-relevant geosciences data from all 50 states (www.stategeothermaldata.org), federal agencies, national labs, and academic centers are being digitized and linked in a distributed network via the U.S. Department of Energy-funded National Geothermal Data System (NGDS) to foster geothermal energy exploration and development through use of interactive online 'mashups,' data integration, and applications. Emphasis is first to make as much information as possible accessible, with a long range goal to make data interoperable through standardized services and interchange formats. Resources may be made available as documents (files) in whatever format they are currently in, converted to tabular files using standard content models, or published as Open Geospatial Consortium or ESRI Web services using the standard xml schema. An initial set of thirty geoscience data content models are in use or under development to define standardized interchange format: aqueous chemistry, borehole temperature data, direct use feature, drill stem test, earthquake hypocenter, fault feature, geologic contact feature, geologic unit feature, thermal/hot spring description, metadata, quaternary fault, volcanic vent description, well header feature, borehole lithology log, crustal stress, gravity, heat flow/temperature gradient, permeability, and feature description data like developed geothermal systems, geologic unit geothermal properties, permeability, production data, rock alteration description, rock chemistry, and thermal conductivity. Map services are also being developed for isopach maps (depth to bedrock), aquifer temperature maps, and several states are working on geothermal resource overview maps. Content models are developed preferentially from existing community use in order to encourage widespread adoption and promulgate minimum metadata quality standards. Geoscience data and maps from NGDS participating institutions (USGS, Southern Methodist University, Boise State

Estimation of energy density of Li-S batteries with liquid and solid electrolytes

NASA Astrophysics Data System (ADS)

Li, Chunmei; Zhang, Heng; Otaegui, Laida; Singh, Gurpreet; Armand, Michel; Rodriguez-Martinez, Lide M.

2016-09-01

With the exponential growth of technology in mobile devices and the rapid expansion of electric vehicles into the market, it appears that the energy density of the state-of-the-art Li-ion batteries (LIBs) cannot satisfy the practical requirements. Sulfur has been one of the best cathode material choices due to its high charge storage (1675 mAh g-1), natural abundance and easy accessibility. In this paper, calculations are performed for different cell design parameters such as the active material loading, the amount/thickness of electrolyte, the sulfur utilization, etc. to predict the energy density of Li-S cells based on liquid, polymeric and ceramic electrolytes. It demonstrates that Li-S battery is most likely to be competitive in gravimetric energy density, but not volumetric energy density, with current technology, when comparing with LIBs. Furthermore, the cells with polymer and thin ceramic electrolytes show promising potential in terms of high gravimetric energy density, especially the cells with the polymer electrolyte. This estimation study of Li-S energy density can be used as a good guidance for controlling the key design parameters in order to get desirable energy density at cell-level.

The Demand Reduction Potential of Smart Appliances in U.S. Homes

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

Makhmalbaf, Atefe; Srivastava, Viraj; Parker, Graham B.

The widespread deployment of demand respond (DR) enabled home appliances is expected to have significant reduction in the demand of electricity during peak hours. The work documented in this paper focuses on estimating the energy shift resulting from the installation of DR enabled smart appliances in the U.S. This estimation is based on analyzing the market for smart appliances and calculating the total energy demand that can potentially be shifted by DR control in appliances. Appliance operation is examined by considering their sub components individually to identify their energy consumptions and savings resulting from interrupting and shifting their load, e.g.,more » by delaying the refrigerator defrost cycle. In addition to major residential appliances, residential pool pumps are also included in this study given their energy consumption profiles that make them favorable for DR applications. In the market analysis study documented in this paper, the U.S. Energy Information Administration's (EIA) Residential Energy Consumption Survey (RECS) and National Association of Home Builders (NAHB) databases are used to examine the expected life of an appliance, the number of appliances installed in homes constructed in 10 year intervals after 1940 and home owner income. Conclusions about the effectiveness of the smart appliances in reducing electrical demand have been drawn and a ranking of appliances in terms of their contribution to load shift is presented. E.g., it was concluded that DR enabled water heaters result in the maximum load shift; whereas, dishwashers have the highest user elasticity and hence the highest potential for load shifting through DR. This work is part of a larger effort to bring novel home energy management concepts and technologies to reduce energy consumption, reduce peak electricity demand, integrate renewables and storage technology, and change homeowner behavior to manage and consume less energy and potentially save consumer energy costs.« less

MoS2 edges and heterophase interfaces: energy, structure and phase engineering

NASA Astrophysics Data System (ADS)

Zhou, Songsong; Han, Jian; Sun, Jianwei; Srolovitz, David J.

2017-06-01

The transition metal dichalcogenides exhibit polymorphism; i.e. both 2H and 1T‧ crystal structures, each with unique electronic properties. These two phases can coexist within the same monolayer microstructure, producing 2H/1T‧ interfaces. Here we report a systematic investigation of the energetics of the experimentally most important MoS2 heterophase interfaces and edges. The stable interface and edge structures change with chemical potential (these edges/interfaces are usually non-stoichiometric). Stable edges tend to be those of highest atomic density and the stable interfaces correspond to those with local atomic structure very similar to the 2H crystal. The interfacial energies are lower than those of the edges, and the 1T‧ edges have lower energy than the 2H edges. Because the 1T‧ edges have much lower energy than the 2H edges, a sufficiently narrow 1T‧ ribbon will be more stable than the corresponding 2H ribbon (this critical width is much larger in MoTe2 than in MoS2). Similarly, a large 2H flake have an equilibrium strip of 1T‧ along its edge (again this effect is much larger in MoTe2 than in MoS2). Application of tensile strains can increase the width of the stable 1T‧ strip or the critical thickness below which a ribbon favors the 1T‧ structure. These effects provide a means to phase engineer transition metal dichalcogenide microstructures.

Third-order interelectronic-interaction correction to the 2 p1/2-2 s transition energy in lithiumlike ions

NASA Astrophysics Data System (ADS)

Zherebtsov, O. M.; Shabaev, V. M.; Yerokhin, V. A.

2000-12-01

Third-order interelectronic-interaction correction to the energies of (1 s) 22 s and (1 s) 22 p1/2 states of high- Z lithiumlike ions is evaluated within the Breit approximation in the range 20⩽ Z⩽100. The calculation is carried out using both the relativistic configuration-interaction method and perturbation theory. The correction is shown to be important for the comparison of theory and experiment.

PGC-1α, A Potential Therapeutic Target for Early Intervention in Parkinson’s Disease

PubMed Central

Zheng, Bin; Liao, Zhixiang; Locascio, Joseph J.; Lesniak, Kristen A.; Roderick, Sarah S.; Watt, Marla L.; Eklund, Aron C.; Zhang-James, Yanli; Kim, Peter D.; Hauser, Michael A.; Grünblatt, Edna; Moran, Linda B.; Mandel, Silvia A.; Riederer, Peter; Miller, Renee M.; Federoff, Howard J.; Wüllner, Ullrich; Papapetropoulos, Spyridon; Youdim, Moussa B.; Cantuti-Castelvetri, Ippolita; Young, Anne B.; Vance, Jeffery M.; Davis, Richard L.; Hedreen, John C.; Adler, Charles H.; Beach, Thomas G.; Graeber, Manuel B.; Middleton, Frank A.; Rochet, Jean-Christophe; Scherzer, Clemens R.

2011-01-01

Parkinson’s disease affects 5 million people worldwide, but the molecular mechanisms underlying its pathogenesis are still unclear. Here, we report a genome-wide meta-analysis of gene sets (groups of genes that encode the same biological pathway or process) in 410 samples from patients with symptomatic Parkinson’s and subclinical disease and healthy controls. We analyzed 6.8 million raw data points from nine genome-wide expression studies, and 185 laser-captured human dopaminergic neuron and substantia nigra transcriptomes, followed by two-stage replication on three platforms. We found 10 gene sets with previously unknown associations with Parkinson’s disease. These gene sets pinpoint defects in mitochondrial electron transport, glucose utilization, and glucose sensing and reveal that they occur early in disease pathogenesis. Genes controlling cellular bioenergetics that are expressed in response to peroxisome proliferator–activated receptor γ coactivator-1α (PGC-1α) are underexpressed in Parkinson’s disease patients. Activation of PGC-1α results in increased expression of nuclear-encoded subunits of the mitochondrial respiratory chain and blocks the dopaminergic neuron loss induced by mutant α-synuclein or the pesticide rotenone in cellular disease models. Our systems biology analysis of Parkinson’s disease identifies PGC-1α as a potential therapeutic target for early intervention. PMID:20926834

Two decision-support tools for assessing the potential effects of energy development on hydrologic resources as part of the Energy and Environment in the Rocky Mountain Area interactive energy atlas

USGS Publications Warehouse

Linard, Joshua I.; Matherne, Anne Marie; Leib, Kenneth J.; Carr, Natasha B.; Diffendorfer, James E.; Hawkins, Sarah J.; Latysh, Natalie; Ignizio, Drew A.; Babel, Nils C.

2014-01-01

The U.S. Geological Survey project—Energy and Environment in the Rocky Mountain Area (EERMA)—has developed a set of virtual tools in the form of an online interactive energy atlas for Colorado and New Mexico to facilitate access to geospatial data related to energy resources, energy infrastructure, and natural resources that may be affected by energy development. The interactive energy atlas currently (2014) consists of three components: (1) a series of interactive maps; (2) downloadable geospatial datasets; and (3) decison-support tools, including two maps related to hydrologic resources discussed in this report. The hydrologic-resource maps can be used to examine the potential effects of energy development on hydrologic resources with respect to (1) groundwater vulnerability, by using the depth to water, recharge, aquifer media, soil media, topography, impact of the vadose zone, and hydraulic conductivity of the aquifer (DRASTIC) model, and (2) landscape erosion potential, by using the revised universal soil loss equation (RUSLE). The DRASTIC aquifer vulnerability index value for the two-State area ranges from 48 to 199. Higher values, indicating greater relative aquifer vulnerability, are centered in south-central Colorado, areas in southeastern New Mexico, and along riparian corridors in both States—all areas where the water table is relatively close to the land surface and the aquifer is more susceptible to surface influences. As calculated by the RUSLE model, potential mean annual erosion, as soil loss in units of tons per acre per year, ranges from 0 to 12,576 over the two-State area. The RUSLE model calculated low erosion potential over most of Colorado and New Mexico, with predictions of highest erosion potential largely confined to areas of mountains or escarpments. An example is presented of how a fully interactive RUSLE model could be further used as a decision-support tool to evaluate the potential hydrologic effects of energy development on a

Ordering of the 0 d5 /2 and 1 s1 /2 proton levels in light nuclei

NASA Astrophysics Data System (ADS)

Hoffman, C. R.; Kay, B. P.; Schiffer, J. P.

2016-08-01

A survey of the available single-proton data in A ≤17 nuclei was completed. These data, along with calculations using a Woods-Saxon potential, show that the ordering of the 0 d5 /2 and 1 s1 /2 proton orbitals are determined primarily by the proximity of the s -state proton energy to the Coulomb barrier. This is analogous to the dependence of the corresponding neutron orbitals in proximity to the neutron threshold, which was previously discussed.

Potential of MuS1 Transgenic Tobacco for Phytoremediation of the Urban Soils Contaminated with Cadmium

NASA Astrophysics Data System (ADS)

Kim, K. H.; Kim, Y. N.; Kim, S. H.

2010-05-01

Urban soils are prone to contamination by trace elements such as Cd, Cu, Pb and Zn. Phytoremediation is one of the attractive remediation methods for soils contaminated with trace elements due to its non-destructive and environmentally-friendly characteristic. Scientists have tried to find hyper-accumulator plants in nature or to develop transgenic plant through genetic engineering. This study was carried out to identify a potential of MuS1 transgenic tobacco for phytoremediation of the urban soils contaminated with Cd. MuS1 is known as a multiple stress related gene with several lines. The previous study using RT-PCR showed that the expression of MuS1 gene in tobacco plant induced tolerance to Cd stress. For this study, MuS1 transgenic tobacco and wild-type tobacco (control) were cultivated in a hydroponic system treated with Cd (0, 50, 100 and 200μM Cd) for 3 weeks. At harvest, both tobacco and nutrient solution were collected and were analyzed for Cd. Effect of Cd treatment on morphological change of the tobacco leaves was also observed by variable-pressure scanning electron microscopy (VP-SEM). The tolerance of MuS1 transgenic tobacco to Cd stress was better than that of wild-type tobacco at all Cd levels. Especially, wild-type tobacco showed chlorosis and withering with 200μM Cd treatment, whereas MuS1 transgenic tobacco gradually recovered from Cd damage. Wild-type tobacco accumulated more Cd (4.65mg per plant) than MuS1 transgenic tobacco (2.37mg per plant) with 200μM Cd treatment. Cd translocation rate from root to leaves was 81.8 % for wild-type tobacco compared to 37.1 % for MuS1 transgenic tobacco. Result of VP-SEM showed that the number of trichome in the leaves for wild-type tobacco increased in comparison with that for untreated samples after 3 weeks, while that for MuS1 transgenic tobacco was not changed by Cd treatment. Results showed that the mechanism of the recovery of the MuS1 tobacco plant was not by high level of Cd uptake and accumulation

Potential Advantages of Reusing Potentially Contaminated Land for Renewable Energy Fact Sheet

EPA Pesticide Factsheets

EPA promotes the reuse of potentially contaminated lands and landfills for renewable energy. This strategy creates new markets for potentially contaminated lands, while providing a sustainable land development strategy for renewable energy.

Investigating energy-saving potentials in the cloud.

PubMed

Lee, Da-Sheng

2014-02-20

Collecting webpage messages can serve as a sensor for investigating the energy-saving potential of buildings. Focusing on stores, a cloud sensor system is developed to collect data and determine their energy-saving potential. The owner of a store under investigation must register online, report the store address, area, and the customer ID number on the electric meter. The cloud sensor system automatically surveys the energy usage records by connecting to the power company website and calculating the energy use index (EUI) of the store. Other data includes the chain store check, company capital, location price, and the influence of weather conditions on the store; even the exposure frequency of store under investigation may impact the energy usage collected online. After collecting data from numerous stores, a multi-dimensional data array is constructed to determine energy-saving potential by identifying stores with similarity conditions. Similarity conditions refer to analyzed results that indicate that two stores have similar capital, business scale, weather conditions, and exposure frequency on web. Calculating the EUI difference or pure technical efficiency of stores, the energy-saving potential is determined. In this study, a real case study is performed. An 8-dimensional (8D) data array is constructed by surveying web data related to 67 stores. Then, this study investigated the savings potential of the 33 stores, using a site visit, and employed the cloud sensor system to determine the saving potential. The case study results show good agreement between the data obtained by the site visit and the cloud investigation, with errors within 4.17%. Among 33 the samples, eight stores have low saving potentials of less than 5%. The developed sensor on the cloud successfully identifies them as having low saving potential and avoids wasting money on the site visit.

Investigating Energy-Saving Potentials in the Cloud

PubMed Central

Lee, Da-Sheng

2014-01-01

Collecting webpage messages can serve as a sensor for investigating the energy-saving potential of buildings. Focusing on stores, a cloud sensor system is developed to collect data and determine their energy-saving potential. The owner of a store under investigation must register online, report the store address, area, and the customer ID number on the electric meter. The cloud sensor system automatically surveys the energy usage records by connecting to the power company website and calculating the energy use index (EUI) of the store. Other data includes the chain store check, company capital, location price, and the influence of weather conditions on the store; even the exposure frequency of store under investigation may impact the energy usage collected online. After collecting data from numerous stores, a multi-dimensional data array is constructed to determine energy-saving potential by identifying stores with similarity conditions. Similarity conditions refer to analyzed results that indicate that two stores have similar capital, business scale, weather conditions, and exposure frequency on web. Calculating the EUI difference or pure technical efficiency of stores, the energy-saving potential is determined. In this study, a real case study is performed. An 8-dimensional (8D) data array is constructed by surveying web data related to 67 stores. Then, this study investigated the savings potential of the 33 stores, using a site visit, and employed the cloud sensor system to determine the saving potential. The case study results show good agreement between the data obtained by the site visit and the cloud investigation, with errors within 4.17%. Among 33 the samples, eight stores have low saving potentials of less than 5%. The developed sensor on the cloud successfully identifies them as having low saving potential and avoids wasting money on the site visit. PMID:24561405

Residential Energy Efficiency Potential: Texas

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

Wilson, Eric J

Energy used by Texas single-family homes that can be saved through cost-effective improvements. Prepared by Eric Wilson and Noel Merket, NREL, and Erin Boyd, U.S. Department of Energy Office of Energy Policy and Systems Analysis.

Residential Energy Efficiency Potential: Indiana

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

Wilson, Eric J

Energy used by Indiana single-family homes that can be saved through cost-effective improvements. Prepared by Eric Wilson and Noel Merket, NREL, and Erin Boyd, U.S. Department of Energy Office of Energy Policy and Systems Analysis.

Residential Energy Efficiency Potential: Colorado

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

Wilson, Eric J

Energy used by Colorado single-family homes that can be saved through cost-effective improvements. Prepared by Eric Wilson and Noel Merket, NREL, and Erin Boyd, U.S. Department of Energy Office of Energy Policy and Systems Analysis.

Residential Energy Efficiency Potential: Idaho

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

Wilson, Eric J

Energy used by Idaho single-family homes that can be saved through cost-effective improvements. Prepared by Eric Wilson and Noel Merket, NREL, and Erin Boyd, U.S. Department of Energy Office of Energy Policy and Systems Analysis.

Residential Energy Efficiency Potential: Arizona

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

Wilson, Eric J

Energy used by Arizona single-family homes that can be saved through cost-effective improvements. Prepared by Eric Wilson and Noel Merket, NREL, and Erin Boyd, U.S. Department of Energy Office of Energy Policy and Systems Analysis.

Residential Energy Efficiency Potential: Nebraska

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

Wilson, Eric J

Energy used by Nebraska single-family homes that can be saved through cost-effective improvements. Prepared by Eric Wilson and Noel Merket, NREL, and Erin Boyd, U.S. Department of Energy Office of Energy Policy and Systems Analysis.

Residential Energy Efficiency Potential: Michigan

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

Wilson, Eric J

Energy used by Michigan single-family homes that can be saved through cost-effective improvements. Prepared by Eric Wilson and Noel Merket, NREL, and Erin Boyd, U.S. Department of Energy Office of Energy Policy and Systems Analysis.

Residential Energy Efficiency Potential: Vermont

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

Wilson, Eric J

Energy used by Vermont single-family homes that can be saved through cost-effective improvements. Prepared by Eric Wilson and Noel Merket, NREL, and Erin Boyd, U.S. Department of Energy Office of Energy Policy and Systems Analysis.

Residential Energy Efficiency Potential: Wisconsin

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

Wilson, Eric J

Energy used by Wisconsin single-family homes that can be saved through cost-effective improvements. Prepared by Eric Wilson and Noel Merket, NREL, and Erin Boyd, U.S. Department of Energy Office of Energy Policy and Systems Analysis.

Residential Energy Efficiency Potential: Missouri

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

Wilson, Eric J

Energy used by Missouri single-family homes that can be saved through cost-effective improvements. Prepared by Eric Wilson and Noel Merket, NREL, and Erin Boyd, U.S. Department of Energy Office of Energy Policy and Systems Analysis.

Residential Energy Efficiency Potential: Wyoming

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

Wilson, Eric J

Energy used by Wyoming single-family homes that can be saved through cost-effective improvements. Prepared by Eric Wilson and Noel Merket, NREL, and Erin Boyd, U.S. Department of Energy Office of Energy Policy and Systems Analysis.

Residential Energy Efficiency Potential: Virginia

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

Wilson, Eric J

Energy used by Virginia single-family homes that can be saved through cost-effective improvements. Prepared by Eric Wilson and Noel Merket, NREL, and Erin Boyd, U.S. Department of Energy Office of Energy Policy and Systems Analysis.

Residential Energy Efficiency Potential: Washington

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

Wilson, Eric J

Energy used by Washington single-family homes that can be saved through cost-effective improvements. Prepared by Eric Wilson and Noel Merket, NREL, and Erin Boyd, U.S. Department of Energy Office of Energy Policy and Systems Analysis.

Residential Energy Efficiency Potential: Montana

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

Wilson, Eric J

Energy used by Montana single-family homes that can be saved through cost-effective improvements. Prepared by Eric Wilson and Noel Merket, NREL, and Erin Boyd, U.S. Department of Energy Office of Energy Policy and Systems Analysis.

Residential Energy Efficiency Potential: Minnesota

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

Wilson, Eric J

Energy used by Minnesota single-family homes that can be saved through cost-effective improvements. Prepared by Eric Wilson and Noel Merket, NREL, and Erin Boyd, U.S. Department of Energy Office of Energy Policy and Systems Analysis.

Residential Energy Efficiency Potential: Illinois

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

Wilson, Eric J

Energy used by Illinois single-family homes that can be saved through cost-effective improvements. Prepared by Eric Wilson and Noel Merket, NREL, and Erin Boyd, U.S. Department of Energy Office of Energy Policy and Systems Analysis.

Residential Energy Efficiency Potential: Utah

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

Wilson, Eric J

Energy used by Utah single-family homes that can be saved through cost-effective improvements. Prepared by Eric Wilson and Noel Merket, NREL, and Erin Boyd, U.S. Department of Energy Office of Energy Policy and Systems Analysis.

Utilization of biomass in the U.S. for the production of ethanol fuel as a gasoline replacement. I - Terrestrial resource potential. II - Energy requirements, with emphasis on lignocellulosic conversion

NASA Astrophysics Data System (ADS)

Ferchak, J. D.; Pye, E. K.

The paper assesses the biomass resource represented by starch derived from feed corn, surplus and distressed grain, and high-yield sugar crops planted on set-aside land in the U.S. It is determined that the quantity of ethanol produced may be sufficient to replace between 5 to 27% of present gasoline requirements. Utilization of novel cellulose conversion technology may in addition provide fermentable sugars from municipal, agricultural and forest wastes, and ultimately from highly productive silvicultural operations. The potential additional yield of ethanol from lignocellulosic biomass appears to be well in excess of liquid fuel requirements of an enhanced-efficiency transport sector at present mileage demands. No conflict with food production would be entailed. A net-energy assessment is made for lignocellulosic biomass feedstocks' conversion to ethanol and an almost 10:1 energy yield/energy cost ratio determined. It is also found that novel cellulose pretreatment and enzymatic conversion methods still under development may significantly improve even that figure, and that both chemical-feedstocks and energy-yielding byproducts such as carbon dioxide, biogas and lignin make ethanol production potentially energy self-sufficient. A final high-efficiency production approach incorporates site-optimized, nonpolluting energy sources such as solar and geothermal.

An assessment of wind energy potential in Iberia under climate change

NASA Astrophysics Data System (ADS)

Liberato, Margarida L. R.; Santos, João A.; Rochinha, Carlos; Reyers, Mark; Pinto, Joaquim G.

2015-04-01

Wind energy potential in Iberia is assessed for recent-past (1961-2000) and future (2041-2070) climates. For recent-past, a COSMO-CLM simulation driven by ERA-40 is used. COSMO-CLM simulations driven by ECHAM5 following the A1B scenario are used for future projections. A 2 MW rated power wind turbine is selected. Mean potentials, inter-annual variability and irregularity are discussed on annual/seasonal scales and on a grid resolution of 20 km. For detailed regional assessments eight target sites are considered. For recent-past conditions, the highest daily mean potentials are found in winter over northern and eastern Iberia, particularly on high-elevation or coastal regions. In northwestern Iberia, daily potentials frequently reach maximum wind energy output (50 MWh day-1), particularly in winter. Southern Andalucía reveals high potentials throughout the year, whereas the Ebro valley and central-western coast show high potentials in summer. The irregularity in annual potentials is moderate (<15% of mean output), but exacerbated in winter (40%). Climate change projections show significant decreases over most of Iberia (<2 MWh day-1). The strong enhancement of autumn potentials in Southern Andalucía is noteworthy (>2 MWh day-1). The northward displacement of North Atlantic westerly winds (autumn-spring) and the strengthening of easterly flows (summer) are key drivers of future projections. Santos, J.A.; Rochinha, C.; Liberato, M.L.R.; Reyers, M.; Pinto, J.G. (2015) Projected changes in wind energy potentials over Iberia. Renewable Energy, 75, 1: 68-80. doi: 10.1016/j.renene.2014.09.026 Acknowledgements: This work was partially supported by FEDER (Fundo Europeu de Desenvolvimento Regional) funds through the COMPETE (Programa Operacional Factores de Competitividade) and by national funds through FCT (Fundação para a Ciência e a Tecnologia, Portugal) under project STORMEx FCOMP-01-0124-FEDER-019524 (PTDC/AAC-CLI/121339/2010).

Measurement of the 1s2s ^1S0 - 1s2p ^3P1 interval in helium-like silicon.

NASA Astrophysics Data System (ADS)

Redshaw, M.; Harry, R.; Myers, E. G.; Weatherford, C. A.

2001-05-01

Accurate calculation of the energy levels of helium-like ions is a basic problem in relativistic atomic theory. For the n=3D2 levels at moderate Z, published calculations give all ``structure'' but not all explicit QED contributions to order (Zα)^4 a.u.(D.R. Plante, W.R. Johnson and J. Sapirstein, Phys. Rev. A 49), 3519 (1994).^, (K.T. Cheng, M.H. Chen, W.R. Johnson and J. Sapirstein, Phys. Rev. A 50), 247 (1994).. Measurements of the 1s2p ^3P - 1s2s ^3S transitions, which lie in the vacuum ultra-violet, are barely precise enough to challenge the theory. However, the intercombination 1s2s ^1S0 - 1s2p ^3P1 interval lies in the infra-red for Z<40 and enables precision measurements using laser spectroscopy(E.G. Myers, J.K. Thompson, E.P. Gavathas, N.R. Claussen, J.D. Silver and D.J.H. Howie, Phys. Rev. Lett. 75), 3637 (1995).. We aim to measure this interval in Si^12+ using a foil-stripped 1 MeV/u ion beam from the Florida State Van de Graaff accelerator and a single-mode c.w. Nd:YAG laser at 1.319 μm. To obtain a sufficient transition probability, the Si^12+ beam is merged co-linearly with the laser light inside an ultra-high finesse build-up cavity. The results should provide a clear test of current and developing calculations of QED contributions in two-electron ions.

Quantum dynamics of the reaction H((2)S) + HeH(+)(X(1)Σ(+)) → H2(+)(X(2)Σg(+)) + He((1)S) from cold to hyperthermal energies: time-dependent wavepacket study and comparison with time-independent calculations.

PubMed

Gamallo, Pablo; Akpinar, Sinan; Defazio, Paolo; Petrongolo, Carlo

2014-08-21

We present the adiabatic quantum dynamics of the proton-transfer reaction H((2)S) + HeH(+)(X(1)Σ(+)) → H2(+)(X(2)Σg(+)) + He((1)S) on the HeH2(+) X̃(2)Σ(+) RMRCI6 (M = 6) PES of C. N. Ramachandran et al. ( Chem. Phys. Lett. 2009, 469, 26). We consider the HeH(+) molecule in the ground vibrational–rotational state and obtain initial-state-resolved reaction probabilities and the ground-state cross section σ0 and rate constant k0 by propagating time-dependent, coupled-channel, real wavepackets (RWPs) and performing a flux analysis. Three different wavepackets are propagated to describe the wide range of energies explored, from cold (0.0001 meV) to hyperthermal (1000 meV) collision energies, and in a temperature range from 0.01 to 2000 K. We compare our time-dependent results with the time-independent ones by D. De Fazio and S. Bovino et al., where De Fazio carried out benchmark coupled-channel calculations whereas Bovino et al. employed the negative imaginary potential and the centrifugal-sudden approximations. The RWP cross section is in good agreement with that by De Fazio, except at the lowest collision energies below ∼0.01 meV, where the former is larger than the latter. However, neither the RWP and De Fazio results possess the huge resonance in probability and cross section at 0.01 meV, found by Bovino et al., who also obtained a too low σ0 at high energies. Therefore, the RWP and De Fazio rate constants compare quite well, whereas that by Bovino et al. is in general lower.

U.S. Energy Disruptions

EIA Publications

EIA tracks and reports on selected significant storms that impact or could potentially impact energy infrastructure. See past historical events reported or real-time storm tracking with energy infrastructure maps.

Ordering of the 0 d 5 / 2 and 1 s 1 / 2 proton levels in light nuclei

DOE PAGES

Hoffman, C. R.; Kay, B. P.; Schiffer, J. P.

2016-08-22

We completed a survey of the available single-proton data in A ≤ 17 nucleid. These data, along with calculations using a Woods-Saxon potential, show that the ordering of the 0d 5/2 and 1s 1/2 proton orbitals are determined primarily by the proximity of the s-state proton energy to the Coulomb barrier. We found this analogous to the dependence of the corresponding neutron orbitals in proximity to the neutron threshold, that was previously discussed.

Wave Energy Potential in the Latvian EEZ

NASA Astrophysics Data System (ADS)

Beriņš, J.; Beriņš, J.; Kalnačs, J.; Kalnačs, A.

2016-06-01

The present article deals with one of the alternative forms of energy - sea wave energy potential in the Latvian Exclusice Economic Zone (EEZ). Results have been achieved using a new method - VEVPP. Calculations have been performed using the data on wave parameters over the past five years (2010-2014). We have also considered wave energy potential in the Gulf of Riga. The conclusions have been drawn on the recommended methodology for the sea wave potential and power calculations for wave-power plant pre-design stage.

Accurate potential energy functions, non-adiabatic and spin-orbit couplings in the ZnH(+) system.

PubMed

Liang, Guiying; Liu, Xiaoting; Zhang, Xiaomei; Xu, Haifeng; Yan, Bing

2016-03-05

A high-level ab initio calculation on the ZnH(+) cation has been carried out with the multi-reference configuration interaction method plus Davison correction (MRCI+Q). The scalar relativistic effect is included by using the Douglas-Kroll-Hess (DKH) method. The calculated potential energy curves (PECs) of the 7 Λ-S states are associated with the dissociation limits of Zn(+)((2)Sg)+H((2)Sg), Zn((1)Sg)+H(+)((1)Sg), and Zn(+)((2)Pu)+H((2)Sg), respectively (The Λ-S state is labeled as (2S+1)Λ, in which Λ is the quantum number for the projection along the internuclear axis of the total electronic orbital angular momentum and S is the total electron spin). The spectroscopic constants of the bound states are determined and in good agreement with the available theoretical and experimental results. The permanent dipole moments (PDMs) of Λ-S states and the spin-orbit (SO) matrix elements between Λ-S states are also computed. The results show that the abrupt changes of the PDMs and SO matrix elements come into being for the reason of the avoided crossing between the states with the same symmetry. In addition, the non-adiabatic couplings matrix elements between Λ-S states are also evaluated. Finally, the spin-orbit couplings (SOCs) for the low-lying states are considered with Breit-Pauli operator. The SOC effect makes the 7 Λ-S states of the ZnH(+) cation split into 12 Ω states (Ω=Λ+Sz, in which Sz is projection of the total electron spin S along the internuclear Z-axis). For the (3)0(+) state, the two energy minima exhibit in the potential, which could be attributed to the formation of the new avoided crossing point. The transition dipole moments (TDMs), Franck-Condon factors, and the radiative lifetimes of the selected transitions (2)0(+)-X0(+), (3)0(+)-X0(+), (2)1-X0(+) and (3)1-X0(+) have been reported. Copyright © 2015 Elsevier B.V. All rights reserved.

Silyl group internal rotation in S1 phenylsilane and phenylsilane cation: Experiments and ab initio calculations

NASA Astrophysics Data System (ADS)

Lu, Kueih-Tzu; Weisshaar, James C.

1993-09-01

Resonant two-photon ionization (R2PI) and pulsed field ionization (PFI) were used to measure S1-S0 and cation-S1 spectra of internally cold phenylsilane. We measure the adiabatic ionization potentials IP(phenylsilane)=73 680±5 cm-1, IP(phenylsilane ṡAr)=73 517±5 cm-1 and IP(phenylsilane ṡAr2)=73 359±5 cm-1. We assign many low lying torsion-vibration levels of the S1 (à 1A1) state and of X˜ 2B1 of phenylsilane+. In both states, the pure torsional transitions are well fit by a simple sixfold hindered rotor Hamiltonian. The results for the rotor inertial constant B and internal rotation potential barrier V6 are, in S1, B=2.7±0.2 cm-1 and V6=-44±4 cm-1; in the cation, B=2.7±0.2 cm-1 and V6=+19±3 cm-1. The sign of V6 and the conformation of minimum energy are inferred from spectral intensities of bands terminating on the 3a`1 and 3a`2 torsional levels. In S1 the staggered conformation is most stable, while in the cation ground state the eclipsed conformation is most stable. For all sixfold potentials whose absolute phase is known experimentally, the most stable conformer is staggered in the neutral states (S0 and S1 p-fluorotoluene, S1 toluene, S1 p-fluorotoluene) and eclipsed in the cationic states (ground state toluene+ and phenylsilane+). In phenylsilane+ we estimate several potential energy coupling matrix elements between torsional and vibrational states. For small V6, the term PαPa in the rigid-frame model Hamiltonian strongly mixes the 6a'1 and 6a'2 torsional states, which mediates further torsion-vibrational coupling. In addition, the cation X˜ 2B1 vibrational structure is badly perturbed, apparently by strong vibronic coupling with the low-lying à 2A2 state. Accordingly, ab initio calculations find a substantial in-plane distortion of the equilibrium geometry of the X˜ 2B1 state, while the à 2A2 state is planar and symmetric. The calculations also correctly predict the lowest energy conformer for S0 states and for cation ground states. Finally

Highly Active 2D Layered MoS 2 -rGO Hybrids for Energy Conversion and Storage Applications.

PubMed

Kamila, Swagatika; Mohanty, Bishnupad; Samantara, Aneeya K; Guha, Puspendu; Ghosh, Arnab; Jena, Bijayalaxmi; Satyam, Parlapalli V; Mishra, B K; Jena, Bikash Kumar

2017-08-21

The development of efficient materials for the generation and storage of renewable energy is now an urgent task for future energy demand. In this report, molybdenum disulphide hollow sphere (MoS 2 -HS) and its reduced graphene oxide hybrid (rGO/MoS 2 -S) have been synthesized and explored for energy generation and storage applications. The surface morphology, crystallinity and elemental composition of the as-synthesized materials have been thoroughly analysed. Inspired by the fascinating morphology of the MoS 2 -HS and rGO/MoS 2 -S materials, the electrochemical performance towards hydrogen evolution and supercapacitor has been demonstrated. The rGO/MoS 2 -S shows enhanced gravimetric capacitance values (318 ± 14 Fg -1 ) with higher specific energy/power outputs (44.1 ± 2.1 Whkg -1 and 159.16 ± 7.0 Wkg -1 ) and better cyclic performances (82 ± 0.95% even after 5000 cycles). Further, a prototype of the supercapacitor in a coin cell configuration has been fabricated and demonstrated towards powering a LED. The unique balance of exposed edge site and electrical conductivity of rGO/MoS 2 -S shows remarkably superior HER performances with lower onset over potential (0.16 ± 0.05 V), lower Tafel slope (75 ± 4 mVdec -1 ), higher exchange current density (0.072 ± 0.023 mAcm -2 ) and higher TOF (1.47 ± 0.085 s -1 ) values. The dual performance of the rGO/MoS 2 -S substantiates the promising application for hydrogen generation and supercapacitor application of interest.

Energy use and climate change improvements of Li/S batteries based on life cycle assessment

NASA Astrophysics Data System (ADS)

Arvidsson, Rickard; Janssen, Matty; Svanström, Magdalena; Johansson, Patrik; Sandén, Björn A.

2018-04-01

We present a life cycle assessment (LCA) study of a lithium/sulfur (Li/S) cell regarding its energy use (in electricity equivalents, kWhel) and climate change (in kg carbon dioxide equivalents, CO2 eq) with the aim of identifying improvement potentials. Possible improvements are illustrated by departing from a base case of Li/S battery design, electricity from coal power, and heat from natural gas. In the base case, energy use is calculated at 580 kWhel kWh-1 and climate change impact at 230 kg CO2 eq kWh-1 of storage capacity. The main contribution to energy use comes from the LiTFSI electrolyte salt production and the main contribution to climate change is electricity use during the cell production stage. By (i) reducing cell production electricity requirement, (ii) sourcing electricity and heat from renewable sources, (iii) improving the specific energy of the Li/S cell, and (iv) switching to carbon black for the cathode, energy use and climate change impact can be reduced by 54 and 93%, respectively. For climate change, our best-case result of 17 kg CO2 eq kWh-1 is of similar magnitude as the best-case literature results for lithium-ion batteries (LIBs). The lithium metal requirement of Li/S batteries and LIBs are also of similar magnitude.

Characteristics of Ampel bamboo as a biomass energy source potential in Bali

NASA Astrophysics Data System (ADS)

Sucipta, M.; Putra Negara, D. N. K.; Tirta Nindhia, T. G.; Surata, I. W.

2017-05-01

Currently, non-renewable fossil energy dominates utilization of the world energy need for many applications. Efforts has been developed to find alternative renewable energy sources, due to fossil energy availability is diminishing. And one of renewable energy source is from biomass. The aim of this research is to determine characteristics of the Ampel bamboo (Bambusa vulgaris) as an energy potential of biomass. The Ampel bamboo’s characteristics possessed are evaluated based on its chemical composition; moisture, volatile, ash, and fixed carbon through proximate analysis; and also carbon, hydrogen and nitrogen content through ultimate analysis. From the Thermo-gravimetric analysis (TGA) indicates that Ampel bamboo contains of about 18.10% hemicelluloses, 47.75% cellulose and 18.86% lignin. While from the ultimate analysis results in the content of carbon, hydrogen, and Nitrogen of Ampel bamboo are 39.75%, 5.75% and 0% respectively. With such characteristics, it indicates that Ampel bamboo has an attractive potential as a renewable energy source.

Solar Energy within the Central Valley, CA: Current Practices and Potential

NASA Astrophysics Data System (ADS)

Hoffacker, M. K.; Hernandez, R. R.; Allen, M. F.

2015-12-01

Utility-scale solar energy (USSE, ≥ 1 megawatt [MW]) systems are rapidly being deployed in the Central Valley of California, generating clean electricity and new job opportunities. Utility-scale solar energy systems require substantial quantities of land or space, often prompting an evaluation of environmental impacts and trade-offs when selecting their placement. Utilizing salt-contaminated agricultural land (as the sodium absorption and electrical conductivity values are unsuitably high), unsuitable for food production, and lands within the built environment (developed), can serve as a co-benefit opportunity when reclamation of these lands for USSE development is prioritized. In this study, we quantify the theoretical and generation-based solar energy potential for the Central Valley according to land-cover type, crop type, and for salt-contaminated lands. Further, we utilize the Carnegie Energy and Environmental Compatibility (CEEC) model to identify and prioritize solar energy, integrating environmental resource opportunities and constraints most relevant to the Central Valley. We use the CEEC model to generate a value-based environmental compatibility output for the Central Valley. The Central Valley extends across nearly 60,000 km2 of California with the potential of generating 21,800 - 30,300 TWh y-1 and 41,600 TWh y-1 of solar energy for photovoltaic (PV) and concentrating solar power (CSP), respectively. Pasture, hay, and cultivated crops comprise over half of the Central Valley, much of which is considered prime agriculture or of statewide or local importance for farming (28,200 km2). Together, approximately one-third of this region is salt-contaminated (16%) or developed (11%). This confers a generation-based potential of 5713 - 7891 TWh y-1 and 2770 TWh y-1 for PV and CSP, respectively. As energy, food, and land are inextricably linked, our study shows how land favorable for renewable energy systems can be used more effectively in places where land is

Quasimolecular emission near the Xe(5p 56s 1,3 P 1 - 5p 6 1 S 0) and Kr (4p 55s 1,3 P 1 - 4p 6 1 S 0) resonance lines induced by collisions with He atoms

NASA Astrophysics Data System (ADS)

Alekseeva, O. S.; Devdariani, A. Z.; Grigorian, G. M.; Lednev, M. G.; Zagrebin, A. L.

2017-02-01

This study is devoted to the theoretical investigation of the quasimolecular emission of Xe*-He and Kr*-He collision pairs near the Xe (5p 56s 1,3 P 1 - 5p 6 1 S 0) and Kr (4p 55s 1,3 P 1 - 4p 6 1 S 0) resonance atomic lines. The potential curves of the quasimolecules Xe(5p 56s) + He and Kr(4p 55s) + He have been obtained with the use of the effective Hamiltonian and pseudopotential methods. Based on these potential curves the processes of quasimolecular emission of Xe*+He and Kr*+He mixtures have been considered and the spectral distributions I(ħΔω) of photons emitted have been obtained in the framework of quasistatic approximation.

National Aeronautics and Space Administration (NASA) Earth Science Research for Energy Management. Part 1; Overview of Energy Issues and an Assessment of the Potential for Application of NASA Earth Science Research

NASA Technical Reports Server (NTRS)

Zell, E.; Engel-Cox, J.

2005-01-01

Effective management of energy resources is critical for the U.S. economy, the environment, and, more broadly, for sustainable development and alleviating poverty worldwide. The scope of energy management is broad, ranging from energy production and end use to emissions monitoring and mitigation and long-term planning. Given the extensive NASA Earth science research on energy and related weather and climate-related parameters, and rapidly advancing energy technologies and applications, there is great potential for increased application of NASA Earth science research to selected energy management issues and decision support tools. The NASA Energy Management Program Element is already involved in a number of projects applying NASA Earth science research to energy management issues, with a focus on solar and wind renewable energy and developing interests in energy modeling, short-term load forecasting, energy efficient building design, and biomass production.

Assessment of Emerging Regional Air Quality (AQ) and Greenhouse Gas (GHG) Impacts and Potential Mitigation Strategies in U.S. Energy Sectors

NASA Astrophysics Data System (ADS)

Kinnon, Michael Mac

The current domestic reliance on high-emitting fossil fuels for energy needs is the key driver of U.S. greenhouse gas (GHG) and pollutant emissions driving both climate change and regional air quality (AQ) concerns. Moving forward, emission sources in U.S. energy sectors will be subjected to changes driven by numerous phenomena, including technology evolution, environmental impacts, sustainability goals, and socioeconomic factors. This evolution will directly affect emissions source-related impacts on regional AQ that effective emissions control strategies must account for, including relative source contributions. Though previous studies have evaluated the emissions and AQ impacts of different sectors, technologies and fuels, most previous studies have assessed emissions impacts only without using advanced atmospheric models to accurately account for both spatial and temporal emissions perturbations and atmospheric chemistry and transport. In addition, few previous studies have considered the integration of multiple technologies and fuels in different U.S. regions.. Finally, most studies do not project emissions several decades into the future to assess what sources should be targeted with priority over time. These aspects are critical for understanding how both emissions sources and potential mitigation strategies impact the formation and fate of primary and secondary pollutants, including ground-level ozone and particulate matter concentrations. Therefore, this work utilizes a set of modeling tools to project and then to spatially and temporally resolve emissions as input into a 3-D Eulerian AQ model to assess how sources of emissions contribute to future atmospheric pollutant burdens. Further, analyses of the potential impacts of alternative energy strategies contained in potential mitigation strategies are conducted for priority targets to develop an understanding of how to maximize AQ benefits and avoid unforeseen deleterious tradeoffs between GHG reduction

A generalized force-modified potential energy surface (G-FMPES) for mechanochemical simulations

DOE PAGES

Subramanian, Gopinath; Mathew, Nithin; Leiding, Jeffery A.

2015-10-05

We describe the modifications that a spatially varying external load produces on a Born-Oppenheimer potential energy surface (PES) by calculating static quantities of interest. The effects of the external loads are exemplified using electronic structure calculations (at the HF/6-31G** level) of two different molecules: ethane and hexahydro-1,3,5-trinitro-s-triazine (RDX). The calculated transition states and The Hessian matrices of stationary points show that spatially varying external loads shift the stationary points and modify the curvature of the PES, thereby affecting the harmonic transition rates by altering both the energy barrier as well as the prefactor. The harmonic spectra of both molecules aremore » blue-shifted with increasing compressive “pressure.” Some stationary points on the RDX-PES disappear under application of the external load, indicating the merging of an energy minimum with a saddle point.« less

Renewable Energy Technical Potential | Geospatial Data Science | NREL

Science.gov Websites

Technical Potential Renewable Energy Technical Potential The renewable energy technical potential level from Resource to Technical to Economic to Market. The benefit of assessing technical potential is potential-resource, technical, economic, and market-as shown in the graphic with key assumptions. Technical

Gravitational potential as a source of earthquake energy

USGS Publications Warehouse

Barrows, L.; Langer, C.J.

1981-01-01

Some degree of tectonic stress within the earth originates from gravity acting upon density structures. The work performed by this "gravitational tectonics stress" must have formerly existed as gravitational potential energy contained in the stress-causing density structure. According to the elastic rebound theory (Reid, 1910), the energy of earthquakes comes from an elastic strain field built up by fairly continuous elastic deformation in the period between events. For earthquakes resulting from gravitational tectonic stress, the elastic rebound theory requires the transfer of energy from the gravitational potential of the density structures into an elastic strain field prior to the event. An alternate theory involves partial gravitational collapse of the stress-causing density structures. The earthquake energy comes directly from a net decrease in gravitational potential energy. The gravitational potential energy released at the time of the earthquake is split between the energy released by the earthquake, including work done in the fault zone and an increase in stored elastic strain energy. The stress associated with this elastic strain field should oppose further fault slip. ?? 1981.

The Potential of Energy Storage Systems with Respect to Generation Adequacy and Economic Viability

NASA Astrophysics Data System (ADS)

Bradbury, Kyle Joseph

Intermittent energy resources, including wind and solar power, continue to be rapidly added to the generation fleet domestically and abroad. The variable power of these resources introduces new levels of stochasticity into electric interconnections that must be continuously balanced in order to maintain system reliability. Energy storage systems (ESSs) offer one potential option to compensate for the intermittency of renewables. ESSs for long-term storage (1-hour or greater), aside from a few pumped hydroelectric installations, are not presently in widespread use in the U.S. The deployment of ESSs would be most likely driven by either the potential for a strong internal rate of return (IRR) on investment and through significant benefits to system reliability that independent system operators (ISOs) could incentivize. To assess the potential of ESSs three objectives are addressed. (1) Evaluate the economic viability of energy storage for price arbitrage in real-time energy markets and determine system cost improvements for ESSs to become attractive investments. (2) Estimate the reliability impact of energy storage systems on the large-scale integration of intermittent generation. (3) Analyze the economic, environmental, and reliability tradeoffs associated with using energy storage in conjunction with stochastic generation. First, using real-time energy market price data from seven markets across the U.S. and the physical parameters of fourteen ESS technologies, the maximum potential IRR of each technology from price arbitrage was evaluated in each market, along with the optimal ESS system size. Additionally, the reductions in capital cost needed to achieve a 10% IRR were estimated for each ESS. The results indicate that the profit-maximizing size of an ESS is primarily determined by its technological characteristics (round-trip charge/discharge efficiency and self-discharge) and not market price volatility, which instead increases IRR. This analysis demonstrates

Changes in European wind energy generation potential within a 1.5 °C warmer world

NASA Astrophysics Data System (ADS)

Hosking, J. Scott; MacLeod, D.; Phillips, T.; Holmes, C. R.; Watson, P.; Shuckburgh, E. F.; Mitchell, D.

2018-05-01

Global climate model simulations from the ‘Half a degree Additional warming, Prognosis and Projected Impacts’ (HAPPI) project were used to assess how wind power generation over Europe would change in a future world where global temperatures reach 1.5 °C above pre-industrial levels. Comparing recent historical (2006–2015) and future 1.5 °C forcing experiments highlights that the climate models demonstrate a northward shift in the Atlantic jet, leading to a significant (p < 0.01) increase in surface winds over the UK and Northern Europe and a significant (p < 0.05) reduction over Southern Europe. We use a wind turbine power model to transform daily near-surface (10 m) wind speeds into daily wind power output, accounting for sub-daily variability, the height of the turbine, and power losses due to transmission and distribution of electricity. To reduce regional model biases we use bias-corrected 10 m wind speeds. We see an increase in power generation potential over much of Europe, with the greatest increase in load factor over the UK of around four percentage points. Increases in variability are seen over much of central and northern Europe with the largest seasonal change in summer. Focusing on the UK, we find that wind energy production during spring and autumn under 1.5 °C forcing would become as productive as it is currently during the peak winter season. Similarly, summer winds would increase driving up wind generation to resemble levels currently seen in spring and autumn. We conclude that the potential for wind energy in Northern Europe may be greater than has been previously assumed, with likely increases even in a 1.5 °C warmer world. While there is the potential for Southern Europe to see a reduction in their wind resource, these decreases are likely to be negligible.

Study of the Potential Energy Consumption Impacts of Connected and Automated Vehicles

EIA Publications

2017-01-01

A new study commissioned by the U.S. Energy Information Administration, finds that the introduction of connected and automated vehicle technologies have the potential to affect vehicle energy consumption, travel, usage, vehicle design and attributes, and personal ownership rates. Rate of technology development, consumer acceptance, and regulatory support and oversight will affect the rate of market penetration of these vehicle technologies.

Greenhouse gas mitigation for U.S. plastics production: energy first, feedstocks later

NASA Astrophysics Data System (ADS)

Posen, I. Daniel; Jaramillo, Paulina; Landis, Amy E.; Griffin, W. Michael

2017-03-01

Plastics production is responsible for 1% and 3% of U.S. greenhouse gas (GHG) emissions and primary energy use, respectively. Replacing conventional plastics with bio-based plastics (made from renewable feedstocks) is frequently proposed as a way to mitigate these impacts. Comparatively little research has considered the potential for green energy to reduce emissions in this industry. This paper compares two strategies for reducing greenhouse gas emissions from U.S. plastics production: using renewable energy or switching to renewable feedstocks. Renewable energy pathways assume all process energy comes from wind power and renewable natural gas derived from landfill gas. Renewable feedstock pathways assume that all commodity thermoplastics will be replaced with polylactic acid (PLA) and bioethylene-based plastics, made using either corn or switchgrass, and powered using either conventional or renewable energy. Corn-based biopolymers produced with conventional energy are the dominant near-term biopolymer option, and can reduce industry-wide GHG emissions by 25%, or 16 million tonnes CO2e/year (mean value). In contrast, switching to renewable energy cuts GHG emissions by 50%-75% (a mean industry-wide reduction of 38 million tonnes CO2e/year). Both strategies increase industry costs—by up to 85/tonne plastic (mean result) for renewable energy, and up to 3000 tonne-1 plastic for renewable feedstocks. Overall, switching to renewable energy achieves greater emission reductions, with less uncertainty and lower costs than switching to corn-based biopolymers. In the long run, producing bio-based plastics from advanced feedstocks (e.g. switchgrass) and/or with renewable energy can further reduce emissions, to approximately 0 CO2e/year (mean value).

Renewable Energy Economic Potential | Geospatial Data Science | NREL

Science.gov Websites

Economic Potential Renewable Energy Economic Potential Economic potential, one measure of renewable electricity is less than the revenue available. Illustration that shows economic potential grow smaller at each level from Resource to Technical to Economic to Market. Estimating Renewable Energy Economic

Renewable energy: key factor of China’s energy revolution

NASA Astrophysics Data System (ADS)

Shen, Wan

2017-12-01

To realize the sustainable development of China’s energy industry, it is necessary to speed up the transformation of energy development mode and deepen the reform of the energy system in an all-round way so as to establish a clean, low-carbon, safe and efficient modern energy system. This paper analysed the opportunities and challenges in energy sectors to promote the energy mix update in China. Fossil energy, especially coal, has brought great progress to the world as well as a great deal of negative effects. In recent years, China’s greenhouse gas emissions continued to grow rapidly, and has become the world’s largest greenhouse gas emitter. To deal with the challenge, the Chinese government has promised that renewable energy will account for 15% of total energy consumption in 2020 and 20% in 2030. This goal requires China to add 800 to 1000 GW of wind, solar and other clean energy.

H2@Scale: Technical and Economic Potential of Hydrogen as an Energy Intermediate

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

Ruth, Mark F; Jadun, Paige; Pivovar, Bryan S

The H2@Scale concept is focused on developing hydrogen as an energy carrier and using hydrogen's properties to improve the national energy system. Specifically hydrogen has the abilities to (1) supply a clean energy source for industry and transportation and (2) increase the profitability of variable renewable electricity generators such as wind turbines and solar photovoltaic (PV) farms by providing value for otherwise potentially-curtailed electricity. Thus the concept also has the potential to reduce oil dependency by providing a low-carbon fuel for fuel cell electric vehicles (FCEVs), reduce emissions of carbon dioxide and pollutants such as NOx, and support domestic energymore » production, manufacturing, and U.S. economic competitiveness. The analysis reported here focuses on the potential market size and value proposition for the H2@Scale concept. It involves three analysis phases: 1. Initial phase estimating the technical potential for hydrogen markets and the resources required to meet them; 2. National-scale analysis of the economic potential for hydrogen and the interactions between willingness to pay by hydrogen users and the cost to produce hydrogen from various sources; and 3. In-depth analysis of spatial and economic issues impacting hydrogen production and utilization and the markets. Preliminary analysis of the technical potential indicates that the technical potential for hydrogen use is approximately 60 million metric tons (MMT) annually for light duty FCEVs, heavy duty vehicles, ammonia production, oil refining, biofuel hydrotreating, metals refining, and injection into the natural gas system. The technical potential of utility-scale PV and wind generation independently are much greater than that necessary to produce 60 MMT / year hydrogen. Uranium, natural gas, and coal reserves are each sufficient to produce 60 MMT / year hydrogen in addition to their current uses for decades to centuries. National estimates of the economic potential of

Relationship of the Williams-Poulios and Manning-Rosen Potential Energy Models for Diatomic Molecules

NASA Astrophysics Data System (ADS)

Jia, Chun-Sheng; Liang, Guang-Chuan; Peng, Xiao-Long; Tang, Hong-Ming; Zhang, Lie-Hui

2014-06-01

By employing the dissociation energy and the equilibrium bond length for a diatomic molecule as explicit parameters, we generate an improved form of the Williams-Poulios potential energy model. It is found that the negative Williams-Poulios potential model is equivalent to the Manning-Rosen potential model for diatomic molecules. We observe that the Manning-Rosen potential is superior to the Morse potential in reproducing the interaction potential energy curves for the {{a}3 Σu+} state of the 6Li2 molecule and the {{X}1 sum+} state of the SiF+ molecule.

Theoretical studies of potential energy surface and rotational spectra of Xe -H2O van der Waals complex

NASA Astrophysics Data System (ADS)

Wang, Lin; Yang, Minghui

2008-11-01

In this work we report an ab initio intermolecular potential energy surface and theoretical spectroscopic studies for Xe -H2O complex. The ab initio energies are calculated with CCSD(T) method and large basis sets (aug-cc-pVQZ for H and O and aug-cc-pVQZ-PP for Xe) augmented by a {3s3p2d2f1g} set of bond functions. This potential energy surface has a global minimum corresponding to a planar and nearly linear hydrogen bonded configuration with a well depth of 192.5cm-1 at intermolecular distance of 4.0Å, which is consistent with the previous determined potential by Wen and Jäger [J. Phys. Chem. A 110, 7560 (2006)]. The bound state calculations have been performed for the complex by approximating the water molecule as a rigid rotor. The theoretical rotational transition frequencies, isotopic shifts, nuclear quadrupole coupling constants, and structure parameters are in good agreement with the experimental observed values. The wavefunctions are analyzed to understand the dynamics of the ground and the first excited states.

Evidence for e+e-→γ ηc(1 S ) at center-of-mass energies between 4.01 and 4.60 GeV

NASA Astrophysics Data System (ADS)

Ablikim, M.; Achasov, M. N.; Ahmed, S.; Albrecht, M.; Alekseev, M.; Amoroso, A.; An, F. F.; An, Q.; Bai, J. Z.; Bai, Y.; Bakina, O.; Baldini Ferroli, R.; Ban, Y.; Bennett, D. W.; Bennett, J. V.; Berger, N.; Bertani, M.; Bettoni, D.; Bian, J. M.; Bianchi, F.; Boger, E.; Boyko, I.; Briere, R. A.; Cai, H.; Cai, X.; Cakir, O.; Calcaterra, A.; Cao, G. F.; Cetin, S. A.; Chai, J.; Chang, J. F.; Chelkov, G.; Chen, G.; Chen, H. S.; Chen, J. C.; Chen, M. L.; Chen, S. J.; Chen, X. R.; Chen, Y. B.; Chu, X. K.; Cibinetto, G.; Dai, H. L.; Dai, J. P.; Dbeyssi, A.; Dedovich, D.; Deng, Z. Y.; Denig, A.; Denysenko, I.; Destefanis, M.; de Mori, F.; Ding, Y.; Dong, C.; Dong, J.; Dong, L. Y.; Dong, M. Y.; Dorjkhaidav, O.; Dou, Z. L.; Du, S. X.; Duan, P. F.; Fang, J.; Fang, S. S.; Fang, X.; Fang, Y.; Farinelli, R.; Fava, L.; Fegan, S.; Feldbauer, F.; Felici, G.; Feng, C. Q.; Fioravanti, E.; Fritsch, M.; Fu, C. D.; Gao, Q.; Gao, X. L.; Gao, Y.; Gao, Y. G.; Gao, Z.; Garillon, B.; Garzia, I.; Goetzen, K.; Gong, L.; Gong, W. X.; Gradl, W.; Greco, M.; Gu, M. H.; Gu, S.; Gu, Y. T.; Guo, A. Q.; Guo, L. B.; Guo, R. P.; Guo, Y. P.; Haddadi, Z.; Han, S.; Hao, X. Q.; Harris, F. A.; He, K. L.; He, X. Q.; Heinsius, F. H.; Held, T.; Heng, Y. K.; Holtmann, T.; Hou, Z. L.; Hu, C.; Hu, H. M.; Hu, T.; Hu, Y.; Huang, G. S.; Huang, J. S.; Huang, S. H.; Huang, X. T.; Huang, X. Z.; Huang, Z. L.; Hussain, T.; Ikegami Andersson, W.; Ji, Q.; Ji, Q. P.; Ji, X. B.; Ji, X. L.; Jiang, X. S.; Jiang, X. Y.; Jiao, J. B.; Jiao, Z.; Jin, D. P.; Jin, S.; Jin, Y.; Johansson, T.; Julin, A.; Kalantar-Nayestanaki, N.; Kang, X. L.; Kang, X. S.; Kavatsyuk, M.; Ke, B. C.; Khan, T.; Khoukaz, A.; Kiese, P.; Kliemt, R.; Koch, L.; Kolcu, O. B.; Kopf, B.; Kornicer, M.; Kuemmel, M.; Kuhlmann, M.; Kupsc, A.; Kühn, W.; Lange, J. S.; Lara, M.; Larin, P.; Lavezzi, L.; Leithoff, H.; Leng, C.; Li, C.; Li, Cheng; Li, D. M.; Li, F.; Li, F. Y.; Li, G.; Li, H. B.; Li, H. J.; Li, J. C.; Li, Jin; Li, K.; Li, K.; Li, K. J.; Li, Lei; Li, P. L.; Li, P. R.; Li, Q. Y.; Li, T.; Li, W. D.; Li, W. G.; Li, X. L.; Li, X. N.; Li, X. Q.; Li, Z. B.; Liang, H.; Liang, Y. F.; Liang, Y. T.; Liao, G. R.; Lin, D. X.; Liu, B.; Liu, B. J.; Liu, C. X.; Liu, D.; Liu, F. H.; Liu, Fang; Liu, Feng; Liu, H. B.; Liu, H. H.; Liu, H. H.; Liu, H. M.; Liu, J. B.; Liu, J. Y.; Liu, K.; Liu, K. Y.; Liu, Ke; Liu, L. D.; Liu, P. L.; Liu, Q.; Liu, S. B.; Liu, X.; Liu, Y. B.; Liu, Z. A.; Liu, Zhiqing; Long, Y. F.; Lou, X. C.; Lu, H. J.; Lu, J. G.; Lu, Y.; Lu, Y. P.; Luo, C. L.; Luo, M. X.; Luo, X. L.; Lyu, X. R.; Ma, F. C.; Ma, H. L.; Ma, L. L.; Ma, M. M.; Ma, Q. M.; Ma, T.; Ma, X. N.; Ma, X. Y.; Ma, Y. M.; Maas, F. E.; Maggiora, M.; Malik, Q. A.; Mao, Y. J.; Mao, Z. P.; Marcello, S.; Meng, Z. X.; Messchendorp, J. G.; Mezzadri, G.; Min, J.; Min, T. J.; Mitchell, R. E.; Mo, X. H.; Mo, Y. J.; Morales Morales, C.; Morello, G.; Muchnoi, N. Yu.; Muramatsu, H.; Mustafa, A.; Nefedov, Y.; Nerling, F.; Nikolaev, I. B.; Ning, Z.; Nisar, S.; Niu, S. L.; Niu, X. Y.; Olsen, S. L.; Ouyang, Q.; Pacetti, S.; Pan, Y.; Papenbrock, M.; Patteri, P.; Pelizaeus, M.; Pellegrino, J.; Peng, H. P.; Peters, K.; Pettersson, J.; Ping, J. L.; Ping, R. G.; Pitka, A.; Poling, R.; Prasad, V.; Qi, H. R.; Qi, M.; Qi, T. Y.; Qian, S.; Qiao, C. F.; Qin, N.; Qin, X. S.; Qin, Z. H.; Qiu, J. F.; Rashid, K. H.; Redmer, C. F.; Richter, M.; Ripka, M.; Rolo, M.; Rong, G.; Rosner, Ch.; Sarantsev, A.; Savrié, M.; Schnier, C.; Schoenning, K.; Shan, W.; Shao, M.; Shen, C. P.; Shen, P. X.; Shen, X. Y.; Sheng, H. Y.; Shepherd, M. R.; Song, J. J.; Song, W. M.; Song, X. Y.; Sosio, S.; Sowa, C.; Spataro, S.; Sun, G. X.; Sun, J. F.; Sun, L.; Sun, S. S.; Sun, X. H.; Sun, Y. J.; Sun, Y. K.; Sun, Y. Z.; Sun, Z. J.; Sun, Z. T.; Tang, C. J.; Tang, G. Y.; Tang, X.; Tapan, I.; Tiemens, M.; Tsednee, B. T.; Uman, I.; Varner, G. S.; Wang, B.; Wang, B. L.; Wang, D.; Wang, D. Y.; Wang, Dan; Wang, K.; Wang, L. L.; Wang, L. S.; Wang, M.; Wang, P.; Wang, P. L.; Wang, W. P.; Wang, X. F.; Wang, Y.; Wang, Y. D.; Wang, Y. F.; Wang, Y. Q.; Wang, Z.; Wang, Z. G.; Wang, Z. H.; Wang, Z. Y.; Wang, Z. Y.; Weber, T.; Wei, D. H.; Wei, J. H.; Weidenkaff, P.; Wen, S. P.; Wiedner, U.; Wolke, M.; Wu, L. H.; Wu, L. J.; Wu, Z.; Xia, L.; Xia, Y.; Xiao, D.; Xiao, H.; Xiao, Y. J.; Xiao, Z. J.; Xie, X. H.; Xie, Y. G.; Xie, Y. H.; Xiong, X. A.; Xiu, Q. L.; Xu, G. F.; Xu, J. J.; Xu, L.; Xu, Q. J.; Xu, Q. N.; Xu, X. P.; Yan, L.; Yan, W. B.; Yan, W. C.; Yan, Y. H.; Yang, H. J.; Yang, H. X.; Yang, L.; Yang, Y. H.; Yang, Y. X.; Ye, M.; Ye, M. H.; Yin, J. H.; You, Z. Y.; Yu, B. X.; Yu, C. X.; Yu, J. S.; Yuan, C. Z.; Yuan, Y.; Yuncu, A.; Zafar, A. A.; Zeng, Y.; Zeng, Z.; Zhang, B. X.; Zhang, B. Y.; Zhang, C. C.; Zhang, D. H.; Zhang, H. H.; Zhang, H. Y.; Zhang, J.; Zhang, J. L.; Zhang, J. Q.; Zhang, J. W.; Zhang, J. Y.; Zhang, J. Z.; Zhang, K.; Zhang, L.; Zhang, S. Q.; Zhang, X. Y.; Zhang, Y.; Zhang, Y.; Zhang, Y. H.; Zhang, Y. T.; Zhang, Yu; Zhang, Z. H.; Zhang, Z. P.; Zhang, Z. Y.; Zhao, G.; Zhao, J. W.; Zhao, J. Y.; Zhao, J. Z.; Zhao, Lei; Zhao, Ling; Zhao, M. G.; Zhao, Q.; Zhao, S. J.; Zhao, T. C.; Zhao, Y. B.; Zhao, Z. G.; Zhemchugov, A.; Zheng, B.; Zheng, J. P.; Zheng, W. J.; Zheng, Y. H.; Zhong, B.; Zhou, L.; Zhou, X.; Zhou, X. K.; Zhou, X. R.; Zhou, X. Y.; Zhu, J.; Zhu, K.; Zhu, K. J.; Zhu, S.; Zhu, S. H.; Zhu, X. L.; Zhu, Y. C.; Zhu, Y. S.; Zhu, Z. A.; Zhuang, J.; Zou, B. S.; Zou, J. H.; Besiii Collaboration

2017-09-01

We present first evidence for the process e+e-→γ ηc(1 S ) at six center-of-mass energies between 4.01 and 4.60 GeV using data collected by the BESIII experiment operating at BEPCII. We measure the Born cross section at each energy using a combination of twelve ηc(1 S ) decay channels. We also combine all six energies under various assumptions for the energy-dependence of the cross section. If the process is assumed to proceed via the Y (4260 ), we measure a peak Born cross section σpeak(e+e-→γ ηc(1 S ))=2.11 ±0.49 (stat . )±0.36 (syst . ) pb with a statistical significance of 4.2 σ .

The Shifting Landscape of Ratepayer-Funded Energy Efficiency in the U.S.

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

Barbose, Galen L; Goldman, Charles; Schlegel, Jeff

Over the last two decades, utility ratepayer funding for energy efficiency programs - and the associated energy savings - has seen both booms and busts. Currently, about 35 states implement ratepayer-funded energy efficiency programs, with a total U.S. budget of $3.1 billion in 2008, approximately 80% of which is concentrated in just ten states (CEE 2008).2 However, a proliferation of new state-level policies enacted over the past several years suggests that the next decade may see a dramatic and sustained increase in overall funding levels, and a fundamental re-drawing of the energy efficiency map. These new state energy efficiency policiesmore » reflect a variety of concerns, including the increasing cost and siting challenges of building new generation and transmission, fuel cost and supply risks, and the potential cost of future carbon regulations. Within the past three years, for example, eleven states have adopted energy efficiency portfolio (or resource) standards (EEPS or EERS) that establish specific long-term savings targets that utilities are obligated to meet, and at least three other states are currently considering the same. A growing number of states have recently established laws requiring utilities to acquire all available cost-effective energy efficiency. Regulators in several Western states have also recently revised integrated resource planning (IRP) and demand-side management (DSM) planning rules to require more robust analysis of the resource potential and benefits of energy efficiency, which has resulted in increased savings targets for their energy efficiency portfolios (Hopper et al. 2008). Finally, regulators and utilities in many states are beginning to look more closely at regulatory incentive mechanisms to better align utility financial interests with improvements in customer energy efficiency. We examined energy efficiency policies on the books or in the pipeline in all 50 states, along with recent IRPs and DSM plans, and developed

Evidence for the η(b)(2S) and observation of h(b)(1P)→η(b)(1S)γ and h(b)(2P)→η(b)(1S)γ.

PubMed

Mizuk, R; Asner, D M; Bondar, A; Pedlar, T K; Adachi, I; Aihara, H; Arinstein, K; Aulchenko, V; Aushev, T; Aziz, T; Bakich, A M; Bay, A; Belous, K; Bhardwaj, V; Bhuyan, B; Bischofberger, M; Bonvicini, G; Bozek, A; Bračko, M; Brodzicka, J; Browder, T E; Chekelian, V; Chen, A; Chen, P; Cheon, B G; Chilikin, K; Chistov, R; Cho, I-S; Cho, K; Choi, S-K; Choi, Y; Dalseno, J; Danilov, M; Doležal, Z; Drásal, Z; Drutskoy, A; Eidelman, S; Epifanov, D; Fast, J E; Gaur, V; Gabyshev, N; Garmash, A; Golob, B; Haba, J; Hara, T; Hayasaka, K; Hayashii, H; Horii, Y; Hoshi, Y; Hou, W-S; Hsiung, Y B; Hyun, H J; Iijima, T; Ishikawa, A; Itoh, R; Iwabuchi, M; Iwasaki, Y; Iwashita, T; Jaegle, I; Julius, T; Kang, J H; Kapusta, P; Kawasaki, T; Kim, H J; Kim, H O; Kim, J H; Kim, K T; Kim, M J; Kim, Y J; Kinoshita, K; Ko, B R; Koblitz, S; Kodyš, P; Korpar, S; Kouzes, R T; Križan, P; Krokovny, P; Kuhr, T; Kumita, T; Kuzmin, A; Kwon, Y-J; Lange, J S; Lee, S-H; Li, J; Libby, J; Liu, C; Liu, Y; Liu, Z Q; Liventsev, D; Louvot, R; Matvienko, D; McOnie, S; Miyabayashi, K; Miyata, H; Mohanty, G B; Mohapatra, D; Moll, A; Muramatsu, N; Mussa, R; Nakao, M; Natkaniec, Z; Ng, C; Nishida, S; Nishimura, K; Nitoh, O; Nozaki, T; Ohshima, T; Okuno, S; Olsen, S L; Onuki, Y; Pakhlov, P; Pakhlova, G; Park, C W; Park, H; Pestotnik, R; Petrič, M; Piilonen, L E; Poluektov, A; Röhrken, M; Sakai, Y; Sandilya, S; Santel, D; Sanuki, T; Sato, Y; Schneider, O; Schwanda, C; Senyo, K; Seon, O; Sevior, M E; Shapkin, M; Shen, C P; Shibata, T-A; Shiu, J-G; Shwartz, B; Sibidanov, A; Simon, F; Smerkol, P; Sohn, Y-S; Sokolov, A; Solovieva, E; Stanič, S; Starič, M; Sumihama, M; Sumiyoshi, T; Tanida, K; Tatishvili, G; Teramoto, Y; Tikhomirov, I; Trabelsi, K; Tsuboyama, T; Uchida, M; Uehara, S; Uglov, T; Unno, Y; Uno, S; Vanhoefer, P; Varner, G; Varvell, K E; Vinokurova, A; Vorobyev, V; Wang, C H; Wang, M-Z; Wang, P; Wang, X L; Watanabe, M; Watanabe, Y; Williams, K M; Won, E; Yabsley, B D; Yamaoka, J; Yamashita, Y; Yuan, C Z; Zhang, Z P; Zhilich, V

2012-12-07

We report the first evidence for the η(b)(2S) using the h(b)(2P)→η(b)(2S)γ transition and the first observation of the h(b)(1P)→η(b)(1S)γ and h(b)(2P)→η(b)(1S)γ transitions. The mass and width of the η(b)(1S) and η(b)(2S) are measured to be m(η(b)(1S))=(9402.4±1.5±1.8) MeV/c(2), m(η(b)(2S))=(9999.0±3.5(-1.9)(+2.8)) MeV/c(2), and Γ(η(b)(1S))=(10.8(-3.7-2.0)(+4.0+4.5)) MeV. We also update the h(b)(1P) and h(b)(2P) mass measurements. We use a 133.4 fb(-1) data sample collected at energies near the Υ(5S) resonance with the Belle detector at the KEKB asymmetric-energy e(+)e(-) collider.

Spectroscopic constants and potential energy curve of the iodine weakly bound 1u state correlating with the I(2P1/2) + I(2P1/2) dissociation limit

NASA Astrophysics Data System (ADS)

Akopyan, M. E.; Baturo, V. V.; Lukashov, S. S.; Poretsky, S. A.; Pravilov, A. M.

2015-01-01

The stepwise three-step three-color laser population of the I2(β1g, νβ, Jβ) rovibronic states via the B0u+, νB, JB rovibronic states and rovibronic levels of the 1u(bb) and 0g+(bb) states mixed by hyperfine interaction is used for determination of rovibronic level energies of the weakly bound I2(1u(bb)) state. Dunham coefficients of the state, Yi0 (i = 0-3), Yi1 (i = 0-2), Y02 and Y12 for the {{v}{{1u}}} = 1-5, 8, 10, 15 and {{J}{{1u}}} ≈ 9-87 ranges, the dissociation energy of the state, De, and equilibrium I-I distance, Re, as well as the potential energy curve are determined. There are aperiodicities in the excitation spectrum corresponding to the β, νβ = 23, Jβ ← 1u(bb), ν1u = 4, 5, J1u progressions in the I2 + Rg = He, Ar mixture, namely, a great number of lines which do not coincide with the R or P line progressions. Their positions conflict with the ΔJ-even selection rule. Furthermore, they do not correspond to the ΔJ-odd progression.

10 CFR 960.3-2-2-1 - Evaluation of all potentially acceptable sites.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 4 2010-01-01 2010-01-01 false Evaluation of all potentially acceptable sites. 960.3-2-2-1 Section 960.3-2-2-1 Energy DEPARTMENT OF ENERGY GENERAL GUIDELINES FOR THE PRELIMINARY SCREENING OF POTENTIAL SITES FOR A NUCLEAR WASTE REPOSITORY Implementation Guidelines § 960.3-2-2-1 Evaluation...

The elusive S{sub 2} state, the S{sub 1}/S{sub 2} splitting, and the excimer states of the benzene dimer

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

Balmer, Franziska A.; Trachsel, Maria A.; Leutwyler, Samuel

We observe the weak S{sub 0} → S{sub 2} transitions of the T-shaped benzene dimers (Bz){sub 2} and (Bz-d{sub 6}){sub 2} about 250 cm{sup −1} and 220 cm{sup −1} above their respective S{sub 0} → S{sub 1} electronic origins using two-color resonant two-photon ionization spectroscopy. Spin-component scaled (SCS) second-order approximate coupled-cluster (CC2) calculations predict that for the tipped T-shaped geometry, the S{sub 0} → S{sub 2} electronic oscillator strength f{sub el}(S{sub 2}) is ∼10 times smaller than f{sub el}(S{sub 1}) and the S{sub 2} state lies ∼240 cm{sup −1} above S{sub 1}, in excellent agreement with experiment. The S{sub 0}more » → S{sub 1} (ππ{sup ∗}) transition is mainly localized on the “stem” benzene, with a minor stem → cap charge-transfer contribution; the S{sub 0} → S{sub 2} transition is mainly localized on the “cap” benzene. The orbitals, electronic oscillator strengths f{sub el}(S{sub 1}) and f{sub el}(S{sub 2}), and transition frequencies depend strongly on the tipping angle ω between the two Bz moieties. The SCS-CC2 calculated S{sub 1} and S{sub 2} excitation energies at different T-shaped, stacked-parallel and parallel-displaced stationary points of the (Bz){sub 2} ground-state surface allow to construct approximate S{sub 1} and S{sub 2} potential energy surfaces and reveal their relation to the “excimer” states at the stacked-parallel geometry. The f{sub el}(S{sub 1}) and f{sub el}(S{sub 2}) transition dipole moments at the C{sub 2v}-symmetric T-shape, parallel-displaced and stacked-parallel geometries are either zero or ∼10 times smaller than at the tipped T-shaped geometry. This unusual property of the S{sub 0} → S{sub 1} and S{sub 0} → S{sub 2} transition-dipole moment surfaces of (Bz){sub 2} restricts its observation by electronic spectroscopy to the tipped and tilted T-shaped geometries; the other ground-state geometries are impossible or extremely difficult to observe. The S

The U.S. Geological Survey Energy Resources Program

USGS Publications Warehouse

,

2006-01-01

The United States uses tremendous amounts of geologic energy resources. In 2004 alone, the United States consumed more than 7.4 billion barrels of oil, 21.9 trillion cubic feet of natural gas, and 1.1 billion short tons of coal. Forecasts indicate the Nation's need for energy resources will continue to grow, raising several questions: How much domestic and foreign petroleum resources are available to meet the growing energy demands of the Nation and world? Does the United States have coal deposits of sufficient quantity and quality to meet demand over the next century? What other geologic energy resources can be added to the U.S. energy mix? How do the occurrence and use of energy resources affect environmental quality and human health? Unbiased information from robust scientific studies is needed for sound energy policy and resource management decisions addressing these issues. The U.S. Geological Survey Energy Resources Program provides impartial, scientifically robust information to advance the understanding of geologically based energy resources including: petroleum (oil, natural gas, natural gas liquids), coal, gas hydrates, geothermal resources, oil shale, oil sands, uranium, and heavy oil and natural bitumen. This information can be used to contribute to plans for a secure energy future and to facilitate evaluation and responsible use of resources.

NREL Triples Previous Estimates of U.S. Wind Power Potential (Fact Sheet)

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

Not Available

The National Renewable Energy Laboratory (NREL) recently released new estimates of the U.S. potential for wind-generated electricity, using advanced wind mapping and validation techniques to triple previous estimates of the size of the nation's wind resources. The new study, conducted by NREL and AWS TruePower, finds that the contiguous 48 states have the potential to generate up to 37 million gigawatt-hours annually. In comparison, the total U.S. electricity generation from all sources was roughly 4 million gigawatt-hours in 2009.

Potential energy function for CH3+CH3 ⇆ C2H6: Attributes of the minimum energy path

NASA Astrophysics Data System (ADS)

Robertson, S. H.; Wardlaw, D. M.; Hirst, D. M.

1993-11-01

The region of the potential energy surface for the title reaction in the vicinity of its minimum energy path has been predicted from the analysis of ab initio electronic energy calculations. The ab initio procedure employs a 6-31G** basis set and a configuration interaction calculation which uses the orbitals obtained in a generalized valence bond calculation. Calculated equilibrium properties of ethane and of isolated methyl radical are compared to existing theoretical and experimental results. The reaction coordinate is represented by the carbon-carbon interatomic distance. The following attributes are reported as a function of this distance and fit to functional forms which smoothly interpolate between reactant and product values of each attribute: the minimum energy path potential, the minimum energy path geometry, normal mode frequencies for vibrational motion orthogonal to the reaction coordinate, a torsional potential, and a fundamental anharmonic frequency for local mode, out-of-plane CH3 bending (umbrella motion). The best representation is provided by a three-parameter modified Morse function for the minimum energy path potential and a two-parameter hyperbolic tangent switching function for all other attributes. A poorer but simpler representation, which may be satisfactory for selected applications, is provided by a standard Morse function and a one-parameter exponential switching function. Previous applications of the exponential switching function to estimate the reaction coordinate dependence of the frequencies and geometry of this system have assumed the same value of the range parameter α for each property and have taken α to be less than or equal to the ``standard'' value of 1.0 Å-1. Based on the present analysis this is incorrect: The α values depend on the property and range from ˜1.2 to ˜1.8 Å-1.

Spectroscopic and Ab Initio Determination of the Ring-Twisting Potential Energy Function for 1,3-Cyclohexadiene

NASA Astrophysics Data System (ADS)

Autrey, Daniel; Choo, Jaebum; Laane, Jaan

2000-10-01

The ring-twisting vibration of 1,3-cyclohexadiene has been studied using Raman and infrared spectroscopy of the molecule in the vapor phase. The Raman spectrum shows five ring-twisting transitions in the 150 - 200 cm-1 region. The far-infrared spectrum shows only two transitions for this vibration, which is infrared forbidden in the C_2v (planar) approximation. Three ring-twisting combination bands were also observed off a fundamental vibration at 926.1 cm-1. A coordinate dependent kinetic energy expansion for the ring-twisting motion was calculated, and this was used to determine the ring-twisting potential function. Ab initio calculations were performed using Moller-Plesset perturbation theory (MP2) using different basis sets. The barrier to planarity of 1150 cm-1 was determined from the spectroscopic data. The various ab initio calculations gave barriers to planarity in the 1197 - 1593 cm-1 range.

Residential Energy Efficiency Potential: South Dakota

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

Wilson, Eric J

2017-11-02

Energy used by South Dakota single-family homes that can be saved through cost-effective improvements. Prepared by Eric Wilson and Noel Merket, NREL, and Erin Boyd, U.S. Department of Energy Office of Energy Policy and Systems Analysis.

Residential Energy Efficiency Potential: South Carolina

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

Wilson, Eric J

2017-11-02

Energy used by South Carolina single-family homes that can be saved through cost-effective improvements. Prepared by Eric Wilson and Noel Merket, NREL, and Erin Boyd, U.S. Department of Energy Office of Energy Policy and Systems Analysis.

Residential Energy Efficiency Potential: Rhode Island

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

Wilson, Eric J

Energy used by Rhode Island single-family homes that can be saved through cost-effective improvements. Prepared by Eric Wilson and Noel Merket, NREL, and Erin Boyd, U.S. Department of Energy Office of Energy Policy and Systems Analysis.

Energy in America: Progress and Potential.

ERIC Educational Resources Information Center

American Petroleum Inst., Washington, DC.

An overview of America's energy situation is presented with emphasis on recent progress, the risk of depending upon foreign oil, and policy choices. Section one reviews the energy problems of the 1970s, issues of the 1980s, concerns for the future, and choices that if made today could alleviate future problems. Section two examines past problems,…

Lithium Sulfur Primary Battery with Super High Energy Density: Based on the Cauliflower-like Structured C/S Cathode

NASA Astrophysics Data System (ADS)

Ma, Yiwen; Zhang, Hongzhang; Wu, Baoshan; Wang, Meiri; Li, Xianfeng; Zhang, Huamin

2015-10-01

The lithium-sulfur primary batteries, as seldom reported in the previous literatures, were developed in this work. In order to maximize its practical energy density, a novel cauliflower-like hierarchical porous C/S cathode was designed, for facilitating the lithium-ions transport and sulfur accommodation. This kind of cathode could release about 1300 mAh g-1 (S) capacity at sulfur loading of 6 ~ 14 mg cm-2, and showed excellent shelf stability during a month test at room temperature. As a result, the assembled Li-S soft package battery achieved an energy density of 504 Wh kg-1 (654 Wh L-1), which was the highest value ever reported to the best of our knowledge. This work might arouse the interests on developing primary Li-S batteries, with great potential for practical application.

Lithium Sulfur Primary Battery with Super High Energy Density: Based on the Cauliflower-like Structured C/S Cathode.

PubMed

Ma, Yiwen; Zhang, Hongzhang; Wu, Baoshan; Wang, Meiri; Li, Xianfeng; Zhang, Huamin

2015-10-12

The lithium-sulfur primary batteries, as seldom reported in the previous literatures, were developed in this work. In order to maximize its practical energy density, a novel cauliflower-like hierarchical porous C/S cathode was designed, for facilitating the lithium-ions transport and sulfur accommodation. This kind of cathode could release about 1300 mAh g(-1) (S) capacity at sulfur loading of 6 ~ 14 mg cm(-2), and showed excellent shelf stability during a month test at room temperature. As a result, the assembled Li-S soft package battery achieved an energy density of 504 Wh kg(-1) (654 Wh L(-1)), which was the highest value ever reported to the best of our knowledge. This work might arouse the interests on developing primary Li-S batteries, with great potential for practical application.

Lithium Sulfur Primary Battery with Super High Energy Density: Based on the Cauliflower-like Structured C/S Cathode

PubMed Central

Ma, Yiwen; Zhang, Hongzhang; Wu, Baoshan; Wang, Meiri; Li, Xianfeng; Zhang, Huamin

2015-01-01

The lithium-sulfur primary batteries, as seldom reported in the previous literatures, were developed in this work. In order to maximize its practical energy density, a novel cauliflower-like hierarchical porous C/S cathode was designed, for facilitating the lithium-ions transport and sulfur accommodation. This kind of cathode could release about 1300 mAh g−1 (S) capacity at sulfur loading of 6 ~ 14 mg cm−2, and showed excellent shelf stability during a month test at room temperature. As a result, the assembled Li-S soft package battery achieved an energy density of 504 Wh kg−1 (654 Wh L−1), which was the highest value ever reported to the best of our knowledge. This work might arouse the interests on developing primary Li-S batteries, with great potential for practical application. PMID:26456914

Assessment of Energy Efficiency Improvement and CO2 Emission Reduction Potentials in India's Cement Industry

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

Morrow, III, William R.; Hasanbeigi, Ali; Xu, Tengfang

2012-12-03

India’s cement industry is the second largest in the world behind China with annual cement production of 168 Mt in 2010 which accounted for slightly greater than six percent of the world’s annual cement production in the same year. To produce that amount of cement, the industry consumed roughly 700 PJ of fuel and 14.7 TWh of electricity. We identified and analyzed 22 energy efficiency technologies and measures applicable to the processes in the Indian cement industry. The Conservation Supply Curve (CSC) used in this study is an analytical tool that captures both the engineering and the economic perspectives ofmore » energy conservation. Using a bottom-up electricity CSC model and compared to an electricity price forecast the cumulative cost-effective plant-level electricity savings potential for the Indian cement industry for 2010- 2030 is estimated to be 83 TWh, and the cumulative plant-level technical electricity saving potential is 89 TWh during the same period. The grid-level CO2 emissions reduction associated with cost-effective electricity savings is 82 Mt CO2 and the electric grid-level CO2 emission reduction associated with technical electricity saving potential is 88 Mt CO2. Compared to a fuel price forecast, an estimated cumulative cost-effective fuel savings potential of 1,029 PJ with associated CO2 emission reduction of 97 Mt CO2 during 2010-2030 is possible. In addition, a sensitivity analysis with respect to the discount rate used is conducted to assess the effect of changes in this parameter on the results. The result of this study gives a comprehensive and easy to understand perspective to the Indian cement industry and policy makers about the energy efficiency potential and its associated cost over the next twenty years.« less

Computed Potential Energy Surfaces and Minimum Energy Pathways for Chemical Reactions

NASA Technical Reports Server (NTRS)

Walch, Stephen P.; Langhoff, S. R. (Technical Monitor)

1994-01-01

Computed potential energy surfaces are often required for computation of such parameters as rate constants as a function of temperature, product branching ratios, and other detailed properties. For some dynamics methods, global potential energy surfaces are required. In this case, it is necessary to obtain the energy at a complete sampling of all the possible arrangements of the nuclei, which are energetically accessible, and then a fitting function must be obtained to interpolate between the computed points. In other cases, characterization of the stationary points and the reaction pathway connecting them is sufficient. These properties may be readily obtained using analytical derivative methods. We have found that computation of the stationary points/reaction pathways using CASSCF/derivative methods, followed by use of the internally contracted CI method to obtain accurate energetics, gives usefull results for a number of chemically important systems. The talk will focus on a number of applications including global potential energy surfaces, H + O2, H + N2, O(3p) + H2, and reaction pathways for complex reactions, including reactions leading to NO and soot formation in hydrocarbon combustion.

RESULTS FROM THE U.S. DOE 2006 SAVE ENERGY NOW ASSESSMENT INITIATIVE: DOE's Partnership with U.S. Industry to Reduce Energy Consumption, Energy Costs, and Carbon Dioxide Emissions

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

Wright, Anthony L; Martin, Michaela A; Gemmer, Bob

--those that consume a total of 1 trillion British thermal units (Btu) or more annually. The approximately 6800 U.S. facilities that fall into this category collectively account for about 53% of all energy consumed by industry in the United States. The 2006 Save Energy Now energy assessments departed from earlier DOE plant assessments by concentrating solely on steam and process heating systems, which are estimated to account for approximately 74% of all natural gas use for manufacturing. The assessments also integrated a strong training component designed to teach industrial plant personnel how to use DOE's steam or process heating opportunity assessment software tools. This approach had the advantages of promoting strong buy-in of plant personnel for the assessment and its outcomes and preparing them better to independently replicate the assessment process at the company's other facilities. The Save Energy Now initiative also included provisions to help plants that applied for but did not qualify for assessments (based on the 1 trillion Btu criterion). Services offered to these plants included (1) an assessment by one of DOE's 26 university-based Industrial Assessment Centers (IACs), (2) a telephone consultation with a systems expert at the DOE's Energy Efficiency and Renewable Energy Information Center, or (3) other technical materials and services available through ITP (e.g., the Save Energy Now CD). By the end of 2006, DOE had completed all 200 of the promised assessments, identifying potential natural gas savings of more than 50 trillion Btu and energy cost savings of about $500 million. These savings, if fully implemented, could reduce CO2 emissions by 4.04 million metric tons annually. These results, along with the fact that a large percentage of U.S. energy is used by a relatively small number of very large plants, clearly suggest that assessments are an expedient and cost-effective way to significantly affect large amounts of energy use. Building on the success of

Accurate double many-body expansion potential energy surface of HS2A2A‧) by scaling the external correlation

NASA Astrophysics Data System (ADS)

Lu-Lu, Zhang; Yu-Zhi, Song; Shou-Bao, Gao; Yuan, Zhang; Qing-Tian, Meng

2016-05-01

A globally accurate single-sheeted double many-body expansion potential energy surface is reported for the first excited state of HS2 by fitting the accurate ab initio energies, which are calculated at the multireference configuration interaction level with the aug-cc-pVQZ basis set. By using the double many-body expansion-scaled external correlation method, such calculated ab initio energies are then slightly corrected by scaling their dynamical correlation. A grid of 2767 ab initio energies is used in the least-square fitting procedure with the total root-mean square deviation being 1.406 kcal·mol-1. The topographical features of the HS2(A2A‧) global potential energy surface are examined in detail. The attributes of the stationary points are presented and compared with the corresponding ab initio results as well as experimental and other theoretical data, showing good agreement. The resulting potential energy surface of HS2(A2A‧) can be used as a building block for constructing the global potential energy surfaces of larger S/H molecular systems and recommended for dynamic studies on the title molecular system. Project supported by the National Natural Science Foundation of China (Grant No. 11304185), the Taishan Scholar Project of Shandong Province, China, the Shandong Provincial Natural Science Foundation, China (Grant No. ZR2014AM022), the Shandong Province Higher Educational Science and Technology Program, China (Grant No. J15LJ03), the China Postdoctoral Science Foundation (Grant No. 2014M561957), and the Post-doctoral Innovation Project of Shandong Province, China (Grant No. 201402013).

Geothermal Energy Potential in Western United States

ERIC Educational Resources Information Center

Pryde, Philip R.

1977-01-01

Reviews types of geothermal energy sources in the western states, including hot brine systems and dry steam systems. Conversion to electrical energy is a major potential use of geothermal energy, although it creates environmental disruptions such as noise, corrosion, and scaling of equipment. (AV)

Photodissociation of phenol via nonadiabatic tunneling: Comparison of two ab initio based potential energy surfaces

NASA Astrophysics Data System (ADS)

Xie, Changjian; Guo, Hua

2017-09-01

The nonadiabatic tunneling-facilitated photodissociation of phenol is investigated using a reduced-dimensional quantum model on two ab initio-based coupled potential energy surfaces (PESs). Although dynamics occurs largely on the lower adiabat, the proximity to a conical intersection between the S1 and S2 states requires the inclusion of both the geometric phase (GP) and diagonal Born-Oppenheimer correction (DBOC). The lifetime of the lowest-lying vibronic state is computed using the diabatic and various adiabatic models. The GP and DBOC terms are found to be essential on one set of PESs, but have a small impact on the other.

Marine and Hydrokinetic Renewable Energy Technologies: Potential Navigational Impacts and Mitigation Measures

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

Cool, Richard, M.; Hudon, Thomas, J.; Basco, David, R.

2009-12-10

On April 15, 2008, the Department of Energy (DOE) issued a Funding Opportunity Announcement for Advanced Water Power Projects which included a Topic Area for Marine and Hydrokinetic Renewable Energy Market Acceleration Projects. Within this Topic Area, DOE identified potential navigational impacts of marine and hydrokinetic renewable energy technologies and measures to prevent adverse impacts on navigation as a sub-topic area. DOE defines marine and hydrokinetic technologies as those capable of utilizing one or more of the following resource categories for energy generation: ocean waves; tides or ocean currents; free flowing water in rivers or streams; and energy generation frommore » the differentials in ocean temperature. PCCI was awarded Cooperative Agreement DE-FC36-08GO18177 from the DOE to identify the potential navigational impacts and mitigation measures for marine hydrokinetic technologies, as summarized herein. The contract also required cooperation with the U.S. Coast Guard (USCG) and two recipients of awards (Pacific Energy Ventures and reVision) in a sub-topic area to develop a protocol to identify streamlined, best-siting practices. Over the period of this contract, PCCI and our sub-consultants, David Basco, Ph.D., and Neil Rondorf of Science Applications International Corporation, met with USCG headquarters personnel, with U.S. Army Corps of Engineers headquarters and regional personnel, with U.S. Navy regional personnel and other ocean users in order to develop an understanding of existing practices for the identification of navigational impacts that might occur during construction, operation, maintenance, and decommissioning. At these same meetings, “standard” and potential mitigation measures were discussed so that guidance could be prepared for project developers. Concurrently, PCCI reviewed navigation guidance published by the USCG and international community. This report summarizes the results of this effort, provides guidance in the form

A Feasibility Study to Evaluate Wind Energy Potential on the Navajo Nation

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

Terry Battiest

2012-11-30

The project, A Feasibility Study to Evaluate Wind Energy Potential on the Navajo Nation, is funded under a solicitation issued by the U.S. Department of Energy Tribal Energy Program. Funding provided by the grant allowed the Navajo Nation to measure wind potential at two sites, one located within the boundaries of the Navajo Nation and the other off-reservation during the project period (September 5, 2005 - September 30, 2009). The recipient for the grant award is the Navajo Tribal Utility Authority (NTUA). The grant allowed the Navajo Nation and NTUA manage the wind feasibility from initial site selection through themore » decision-making process to commit to a site for wind generation development. The grant activities help to develop human capacity at NTUA and help NTUA to engage in renewable energy generation activities, including not only wind but also solar and biomass. The final report also includes information about development activities regarding the sited included in the grant-funded feasibility study.« less

The origin of unequal bond lengths in the C 1B 2 state of SO 2: Signatures of high-lying potential energy surface crossings in the low-lying vibrational structure

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

Park, G. Barratt; Jiang, Jun; Field, Robert W.

Here the C 1B 2 state of SO 2 has a double-minimum potential in the antisymmetric stretch coordinate, such that the minimum energy geometry has nonequivalent SO bond lengths. The asymmetry in the potential energy surface is expressed as a staggering in the energy levels of the v' 3 progression. We have recently made the first observation of low-lying levels with odd quanta of v' 3, which allows us--in the current work--to characterize the origins of the level staggering. Our work demonstrates the usefulness of low-lying vibrational level structure, where the character of the wavefunctions can be relatively easily understood,more » to extract information about dynamically important potential energy surface crossings that occur at much higher energy. The measured staggering pattern is consistent with a vibronic coupling model for the double-minimum, which involves direct coupling to the bound 2 1A 1 state and indirect coupling with the repulsive 3 1A 1 state. The degree of staggering in the v' 3 levels increases with quanta of bending excitation, which is consistent with the approach along the C state potential energy surface to a conical intersection with the 2 1A 1 surface at a bond angle of ~145°.« less

The origin of unequal bond lengths in the C 1B 2 state of SO 2: Signatures of high-lying potential energy surface crossings in the low-lying vibrational structure

DOE PAGES

Park, G. Barratt; Jiang, Jun; Field, Robert W.

2016-04-14

Here the C 1B 2 state of SO 2 has a double-minimum potential in the antisymmetric stretch coordinate, such that the minimum energy geometry has nonequivalent SO bond lengths. The asymmetry in the potential energy surface is expressed as a staggering in the energy levels of the v' 3 progression. We have recently made the first observation of low-lying levels with odd quanta of v' 3, which allows us--in the current work--to characterize the origins of the level staggering. Our work demonstrates the usefulness of low-lying vibrational level structure, where the character of the wavefunctions can be relatively easily understood,more » to extract information about dynamically important potential energy surface crossings that occur at much higher energy. The measured staggering pattern is consistent with a vibronic coupling model for the double-minimum, which involves direct coupling to the bound 2 1A 1 state and indirect coupling with the repulsive 3 1A 1 state. The degree of staggering in the v' 3 levels increases with quanta of bending excitation, which is consistent with the approach along the C state potential energy surface to a conical intersection with the 2 1A 1 surface at a bond angle of ~145°.« less

Networks of triboelectric nanogenerators for harvesting water wave energy: a potential approach toward blue energy.

PubMed

Chen, Jun; Yang, Jin; Li, Zhaoling; Fan, Xing; Zi, Yunlong; Jing, Qingshen; Guo, Hengyu; Wen, Zhen; Pradel, Ken C; Niu, Simiao; Wang, Zhong Lin

2015-03-24

With 70% of the earth's surface covered with water, wave energy is abundant and has the potential to be one of the most environmentally benign forms of electric energy. However, owing to lack of effective technology, water wave energy harvesting is almost unexplored as an energy source. Here, we report a network design made of triboelectric nanogenerators (TENGs) for large-scale harvesting of kinetic water energy. Relying on surface charging effect between the conventional polymers and very thin layer of metal as electrodes for each TENG, the TENG networks (TENG-NW) that naturally float on the water surface convert the slow, random, and high-force oscillatory wave energy into electricity. On the basis of the measured output of a single TENG, the TENG-NW is expected to give an average power output of 1.15 MW from 1 km(2) surface area. Given the compelling features, such as being lightweight, extremely cost-effective, environmentally friendly, easily implemented, and capable of floating on the water surface, the TENG-NW renders an innovative and effective approach toward large-scale blue energy harvesting from the ocean.

The energy density distribution of an ideal gas and Bernoulli’s equations

NASA Astrophysics Data System (ADS)

Santos, Leonardo S. F.

2018-05-01

This work discusses the energy density distribution in an ideal gas and the consequences of Bernoulli’s equation and the corresponding relation for compressible fluids. The aim of this work is to study how Bernoulli’s equation determines the energy flow in a fluid, although Bernoulli’s equation does not describe the energy density itself. The model from molecular dynamic considerations that describes an ideal gas at rest with uniform density is modified to explore the gas in motion with non-uniform density and gravitational effects. The difference between the component of the speed of a particle that is parallel to the gas speed and the gas speed itself is called ‘parallel random speed’. The pressure from the ‘parallel random speed’ is denominated as parallel pressure. The modified model predicts that the energy density is the sum of kinetic and potential gravitational energy densities plus two terms with static and parallel pressures. The application of Bernoulli’s equation and the corresponding relation for compressible fluids in the energy density expression has resulted in two new formulations. For incompressible and compressible gas, the energy density expressions are written as a function of stagnation, static and parallel pressures, without any dependence on kinetic or gravitational potential energy densities. These expressions of the energy density are the main contributions of this work. When the parallel pressure was uniform, the energy density distribution for incompressible approximation and compressible gas did not converge to zero for the limit of null static pressure. This result is rather unusual because the temperature tends to zero for null pressure. When the gas was considered incompressible and the parallel pressure was equal to static pressure, the energy density maintained this unusual behaviour with small pressures. If the parallel pressure was equal to static pressure, the energy density converged to zero for the limit of the

2025 California Demand Response Potential Study - Charting California’s Demand Response Future. Final Report on Phase 2 Results

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

Alstone, Peter; Potter, Jennifer; Piette, Mary Ann

California’s legislative and regulatory goals for renewable energy are changing the power grid’s dynamics. Increased variable generation resource penetration connected to the bulk power system, as well as, distributed energy resources (DERs) connected to the distribution system affect the grid’s reliable operation over many different time scales (e.g., days to hours to minutes to seconds). As the state continues this transition, it will require careful planning to ensure resources with the right characteristics are available to meet changing grid management needs. Demand response (DR) has the potential to provide important resources for keeping the electricity grid stable and efficient, tomore » defer upgrades to generation, transmission and distribution systems, and to deliver customer economic benefits. This study estimates the potential size and cost of future DR resources for California’s three investor-owned utilities (IOUs): Pacific Gas and Electric Company (PG&E), Southern California Edison Company (SCE), and San Diego Gas & Electric Company (SDG&E). Our goal is to provide data-driven insights as the California Public Utilities Commission (CPUC) evaluates how to enhance DR’s role in meeting California’s resource planning needs and operational requirements. We address two fundamental questions: 1. What cost-competitive DR service types will meet California’s future grid needs as it moves towards clean energy and advanced infrastructure? 2. What is the size and cost of the expected resource base for the DR service types?« less

Genetic targeting of the active transcription factor XBP1s to dendritic cells potentiates vaccine-induced prophylactic and therapeutic antitumor immunity.

PubMed

Tian, Shenghe; Liu, Zuqiang; Donahue, Cara; Falo, Louis D; You, Zhaoyang

2012-02-01

In vivo dendritic cells (DC) targeting is an attractive approach with potential advantages in vaccine efficacy, cost, and availability. Identification of molecular adjuvants to in vivo "modulate " DC to coordinately render improved Th1 and CD8 T cell immunity, and attenuated deleterious Treg effects, is a critical challenge. Here, we report that in vivo genetic targeting of the active transcription factor XBP1s to DC (XBP1s/DC) potentiated vaccine-induced prophylactic and therapeutic antitumor immunity in multiple tumor models. This immunization strategy is based on a genetic vaccine encoding both cytomegalovirus (CMV)-driven vaccine Aghsp70 and DC-specific CD11c-driven XBP1s. The novel targeted vaccine induced durable Th1 and CD8 T cell responses to poorly immunogenic self/tumor antigen (Ag) and attenuated tumor-associated Treg suppressive function. Bone marrow (BM)-derived DC genetically modified to simultaneously overexpress XBP1s and express Aghsp70 upregulated CD40, CD70, CD86, interleukin (IL)-15, IL-15Rα, and CCR7 expression, and increased IL-6, IL-12, and tumor necrosis factor (TNF)-α production in vitro. XBP1s/DC elevated functional DEC205(+)CD8α(+)DC in the draining lymph nodes (DLN). The data suggest a novel role for XBP1s in modulating DC to potentiate tumor vaccine efficacy via overcoming two major obstacles to tumor vaccines (i.e., T cell hyporesponsiveness against poorly immunologic self/tumor Ag and tumor-associated Treg-mediated suppression) and improving DEC205(+)CD8α(+)DC.

ARPA-E: Accelerating U.S. Energy Innovation

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

Manser, Joseph S.; Rollin, Joseph A.; Brown, Kristen E.

With aggressive commitments to mitigate the impacts of climate change and emphasis on maintaining an advantage in technological development in an increasingly globalized marketplace, the U.S. government is actively taking measures to ensure the nation’s environmental and economic health and sustainability. As part of its broader strategy, with motivation from the National Academies,(1) the United States established the Advanced Research Project Agency-Energy (ARPA-E) within the Department of Energy (DOE) through the America Competes Act in 2007.(2) The agency was allotted an initial appropriation of $400 million in 2009 as part of the American Recovery and Reinvestment Act.

Energies of Screened Coulomb Potentials.

ERIC Educational Resources Information Center

Lai, C. S.

1979-01-01

This article shows that, by applying the Hellman-Feynman theorem alone to screened Coulomb potentials, the first four coefficients in the energy series in powers of the perturbation parameter can be obtained from the unperturbed Coulomb system. (Author/HM)

An improved quasi-diabatic representation of the 1, 2, 3{sup 1}A coupled adiabatic potential energy surfaces of phenol in the full 33 internal coordinates

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

Zhu, Xiaolei, E-mail: virtualzx@gmail.com; Malbon, Christopher L., E-mail: clmalbon@gmail.com; Yarkony, David R., E-mail: yarkony@jhu.edu

2016-03-28

In a recent work we constructed a quasi-diabatic representation, H{sup d}, of the 1, 2, 3{sup 1}A adiabatic states of phenol from high level multireference single and double excitation configuration interaction electronic structure data, energies, energy gradients, and derivative couplings. That H{sup d} accurately describes surface minima, saddle points, and also regions of strong nonadiabatic interactions, reproducing the locus of conical intersection seams and the coordinate dependence of the derivative couplings. The present work determines the accuracy of H{sup d} for describing phenol photodissociation. Additionally, we demonstrate that a modest energetic shift of two diabats yields a quantifiably more accuratemore » H{sup d} compared with experimental energetics. The analysis shows that in favorable circumstances it is possible to use single point energies obtained from the most reliable electronic structure methods available, including methods for which the energy gradients and derivative couplings are not available, to improve the quality of a global representation of several coupled potential energy surfaces. Our data suggest an alternative interpretation of kinetic energy release measurements near λ{sub phot} ∼ 248 nm.« less

Toward spectroscopically accurate global ab initio potential energy surface for the acetylene-vinylidene isomerization

NASA Astrophysics Data System (ADS)

Han, Huixian; Li, Anyang; Guo, Hua

2014-12-01

A new full-dimensional global potential energy surface (PES) for the acetylene-vinylidene isomerization on the ground (S0) electronic state has been constructed by fitting ˜37 000 high-level ab initio points using the permutation invariant polynomial-neural network method with a root mean square error of 9.54 cm-1. The geometries and harmonic vibrational frequencies of acetylene, vinylidene, and all other stationary points (two distinct transition states and one secondary minimum in between) have been determined on this PES. Furthermore, acetylene vibrational energy levels have been calculated using the Lanczos algorithm with an exact (J = 0) Hamiltonian. The vibrational energies up to 12 700 cm-1 above the zero-point energy are in excellent agreement with the experimentally derived effective Hamiltonians, suggesting that the PES is approaching spectroscopic accuracy. In addition, analyses of the wavefunctions confirm the experimentally observed emergence of the local bending and counter-rotational modes in the highly excited bending vibrational states. The reproduction of the experimentally derived effective Hamiltonians for highly excited bending states signals the coming of age for the ab initio based PES, which can now be trusted for studying the isomerization reaction.

Evidence for e + e - → γ η c ( 1 S ) at center-of-mass energies between 4.01 and 4.60 GeV

DOE PAGES

Ablikim, M.; Achasov, M. N.; Ahmed, S.; ...

2017-09-06

In this paper, we present first evidence for the process e +e - → γη c(1S) at six center-of-mass energies between 4.01 and 4.60 GeV using data collected by the BESIII experiment operating at BEPCII. We measure the Born cross section at each energy using a combination of twelve η c(1S) decay channels. We also combine all six energies under various assumptions for the energy-dependence of the cross section. Finally, if the process is assumed to proceed via the Y (4260), we measure a peak Born cross section σ peak (e +e - → γη c(1S)) = 2.11 ± 0.49(stat.)more » ± 0.36(syst.) pb with a statistical significance of 4.2σ.« less

Evidence for e + e - → γ η c ( 1 S ) at center-of-mass energies between 4.01 and 4.60 GeV

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

Ablikim, M.; Achasov, M. N.; Ahmed, S.

In this paper, we present first evidence for the process e +e - → γη c(1S) at six center-of-mass energies between 4.01 and 4.60 GeV using data collected by the BESIII experiment operating at BEPCII. We measure the Born cross section at each energy using a combination of twelve η c(1S) decay channels. We also combine all six energies under various assumptions for the energy-dependence of the cross section. Finally, if the process is assumed to proceed via the Y (4260), we measure a peak Born cross section σ peak (e +e - → γη c(1S)) = 2.11 ± 0.49(stat.)more » ± 0.36(syst.) pb with a statistical significance of 4.2σ.« less

Energy savings potential in air conditioners and chiller systems

DOE PAGES

Kaya, Durmus; Alidrisi, Hisham

2014-01-22

In the current paper we quantified and evaluated the energy saving potential in air conditioners and chiller systems. Here, we also showed how to reduce the cost of air conditioners and chiller systems in existing facilities on the basis of payback periods. Among the measures investigated were: (1) installing higher efficiency air conditioners, (2) installing higher efficiency chillers, (3) duty cycling air conditioning units, and (4) utilizing existing economizers on air conditioning units. For each method, examples were provided from Arizona, USA. In these examples, the amount of saved energy, the financial evaluation of this energy, and the investment costmore » and pay back periods were calculated.« less

Free energy calculations: an efficient adaptive biasing potential method.

PubMed

Dickson, Bradley M; Legoll, Frédéric; Lelièvre, Tony; Stoltz, Gabriel; Fleurat-Lessard, Paul

2010-05-06

We develop an efficient sampling and free energy calculation technique within the adaptive biasing potential (ABP) framework. By mollifying the density of states we obtain an approximate free energy and an adaptive bias potential that is computed directly from the population along the coordinates of the free energy. Because of the mollifier, the bias potential is "nonlocal", and its gradient admits a simple analytic expression. A single observation of the reaction coordinate can thus be used to update the approximate free energy at every point within a neighborhood of the observation. This greatly reduces the equilibration time of the adaptive bias potential. This approximation introduces two parameters: strength of mollification and the zero of energy of the bias potential. While we observe that the approximate free energy is a very good estimate of the actual free energy for a large range of mollification strength, we demonstrate that the errors associated with the mollification may be removed via deconvolution. The zero of energy of the bias potential, which is easy to choose, influences the speed of convergence but not the limiting accuracy. This method is simple to apply to free energy or mean force computation in multiple dimensions and does not involve second derivatives of the reaction coordinates, matrix manipulations nor on-the-fly adaptation of parameters. For the alanine dipeptide test case, the new method is found to gain as much as a factor of 10 in efficiency as compared to two basic implementations of the adaptive biasing force methods, and it is shown to be as efficient as well-tempered metadynamics with the postprocess deconvolution giving a clear advantage to the mollified density of states method.

The influence of antikaon condensations on nucleon 1S0 superfluidity in neutron star matter

NASA Astrophysics Data System (ADS)

Xu, Yan; Huang, Xiu Lin; Zhang, Xiao Jun; Yu, Zi; Fan, Cun Bo; Ding, Wen Bo; Liu, Cheng Zhi

2018-03-01

The properties of neutron and proton 1S0 superfluidity are studied within the relativistic mean field and the Bardeen-Cooper-Schrieffer theories by taking the effects of K- and \\bar{K}0 condensations into account in neutron star matter without the hyperon degrees of freedom. It is found that antikaon condensations change the Fermi momenta, the effective masses and the single particle energies of nucleons in neutron star matter. These changes lead to a strong suppression of the neutron 1S0 superfluidity and an obvious enhancement of the proton 1S0 superfluidity in neutron star matter, respectively. In particular, the neutron and proton 1S0 pairing gaps are gradually shrinking with the optical potential of antikaons from -80 to -130 MeV. And antikaon condensations have little influence on the neutron 1S0 superfluid range, however, they have been markedly downsized the proton 1S0 superfluid range as the deepening of the optical potential of antikaons in neutron star matter. We also found that the nucleon 1S0 superfluidity and K- condensations within the scope of above optical potential of antikaons can occur in the core of PSR J1614-2230 and PSR J0348+0432 at the same time. Whereas \\bar{K}0 condensations only occur in the two pulsars when the range of optical potential of antikaons is from -100 to -130 MeV.

Conformational Explosion: Understanding the Complexity of the Para-Dialkylbenzene Potential Energy Surfaces

NASA Astrophysics Data System (ADS)

Mishra, Piyush; Hewett, Daniel M.; Zwier, Timothy S.

2017-06-01

This talk focuses on the single-conformation spectroscopy of small-chain para-dialkylbenzenes. This work builds on previous studies from our group on long-chain n-alkylbenzenes that identified the first folded structure in octylbenzene. The dialkylbenzenes are representative of a class of molecules that are common components of coal and aviation fuel and are known to be present in vehicle exhaust. We bring the molecules para-diethylbenzene, para-dipropylbenzene and para-dibutylbenzene into the gas phase and cool the molecules in a supersonic expansion. The jet-cooled molecules are then interrogated using laser-induced fluorescence excitation, fluorescence dip IR spectroscopy (FDIRS) and dispersed fluorescence. The LIF spectra in the S_{0}-S_{1} origin region show dramatic increases in the number of resolved transitions with increasing length of alkyl chains, reflecting an explosion in the number of unique low-energy conformations formed when two independent alkyl chains are present. Since the barriers to isomerization of the alkyl chain are similar in size, this results in an 'egg carton' shape to the potential energy surface. We use a combination of electronic frequency shift and alkyl CH stretch infrared spectra to generate a consistent set of conformational assignments.

New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground X˜ 1A1 and excited C˜ 1B2(21A') states of SO2

NASA Astrophysics Data System (ADS)

Kłos, Jacek; Alexander, Millard H.; Kumar, Praveen; Poirier, Bill; Jiang, Bin; Guo, Hua

2016-05-01

We report new and more accurate adiabatic potential energy surfaces (PESs) for the ground X˜ 1A1 and electronically excited C˜ 1B2(21A') states of the SO2 molecule. Ab initio points are calculated using the explicitly correlated internally contracted multi-reference configuration interaction (icMRCI-F12) method. A second less accurate PES for the ground X ˜ state is also calculated using an explicitly correlated single-reference coupled-cluster method with single, double, and non-iterative triple excitations [CCSD(T)-F12]. With these new three-dimensional PESs, we determine energies of the vibrational bound states and compare these values to existing literature data and experiment.

Effects of S(+)-efonidipine on the rabbit sinus node action potential and calcium channel subunits Ca(V)1.2, Ca(V)1.3 and Ca(V)3.1.

PubMed

Tanaka, Hikaru; Namekata, Iyuki; Ogawa, Toru; Tsuneoka, Yayoi; Komikado, Chisa; Takahara, Akira; Iida-Tanaka, Naoko; Izumi-Nakaseko, Hiroko; Tsuru, Hiromichi; Adachi-Akahane, Satomi

2010-12-15

The effect of S(+)-efonidipine on sinus node action potential and calcium channel α-subunits was examined. The slope of the phase 4 depolarization of isolated rabbit sinus node tissue was significantly reduced by S(+)-efonidipine (1 μM), slightly reduced by nifedipine (1 μM), but was not affected by R(-)-efonidipine. S(+)-efonidipine (1 μM), inhibited the expressed Ca(V)1.2, Ca(V)1.3 and Ca(V)3.1 channel currents by 75.7%, 75.3% and 94.0%, nifedipine 84.0%, 43.2% and 14.9%, and R(-)-efonidipine 30.0%, 19.6% and 92.8%, respectively. Thus, the prolongation of the phase 4 depolarization of the rabbit sinus node by S(+)-efonidipine may be explained by blockade of the Ca(V)1.3 channel current. Copyright © 2010 Elsevier B.V. All rights reserved.

S-Nitrosation destabilizes glutathione transferase P1-1.

PubMed

Balchin, David; Stoychev, Stoyan H; Dirr, Heini W

2013-12-23

Protein S-nitrosation is a post-translational modification that regulates the function of more than 500 human proteins. Despite its apparent physiological significance, S-nitrosation is poorly understood at a molecular level. Here, we investigated the effect of S-nitrosation on the activity, structure, stability, and dynamics of human glutathione transferase P1-1 (GSTP1-1), an important detoxification enzyme ubiquitous in aerobes. S-Nitrosation at Cys47 and Cys101 reduces the activity of the enzyme by 94%. Circular dichroism spectroscopy, acrylamide quenching, and amide hydrogen-deuterium exchange mass spectrometry experiments indicate that the loss of activity is caused by the introduction of local disorder at the active site of GSTP1-1. Furthermore, the modification destabilizes domain 1 of GSTP1-1 against denaturation, smoothing the unfolding energy landscape of the protein and introducing a refolding defect. In contrast, S-nitrosation at Cys101 alone introduces a refolding defect in domain 1 but compensates by stabilizing the domain kinetically. These data elucidate the physical basis for the regulation of GSTP1-1 by S-nitrosation and provide general insight into the consequences of S-nitrosation on protein stability and dynamics.

U.S. Federal Investments in Energy R&D: 1961-2008

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

Dooley, James J.

2008-10-10

This paper documents nearly a half century of U.S. federal government support for energy research and development (R&D). Data on energy R&D expenditures disaggregated by major program area are presented here for the first time for the period 1961-2008. This paper also documents U.S. federal government spending on key large scale energy R&D programs that were initiated in response to the oil crisis of the 1970s. Since 1961, the U.S. government has invested nearly $172 billion (in inflation adjusted 2005 US dollars) for the development of advanced energy technologies and for the necessary underlying basic science. Over this period, nearlymore » 24% of the total federal investment in energy R&D occurred during the short seven-year span of 1974-1980. From 1977-1981, energy R&D investments briefly rose above 10% of all federal R&D; however, since the mid-1990s energy R&D has accounted for only about 1% of all federal R&D investments.« less

Bioethanol Potential of Energy Sorghum Grown on Marginal and Arable Lands

PubMed Central

Tang, Chaochen; Li, Songbo; Li, Meng; Xie, Guang H.

2018-01-01

Field experiments were conducted in marginal lands, i.e., sub-humid climate and saline-land (SHS) and semi-arid climate and wasteland (SAW), to evaluate ethanol potential based on the biomass yield and chemical composition of biomass type (var. GN-2, GN-4, and GN-10) and sweet type (var. GT-3 and GT-7) hybrids of energy sorghum [Sorghum bicolor (L.) Moench] in comparison with sub-humid climate and cropland (SHC) in northern China. Results showed that environment significantly (p < 0.05) influenced plant growth, biomass yield and components, and subsequently the ethanol potential of energy sorghum. Biomass and theoretical ethanol yield of the crop grown at SHS (12.2 t ha−1 and 3,425 L ha−1, respectively) and SAW (8.6 t ha−1 and 2,091 L ha−1, respectively) were both statistically (p < 0.001) lower than values at the SHC site (32.6 t ha−1 and 11,853 L ha−1, respectively). Higher desirable contents of soluble sugar, cellulose, and hemicellulose were observed at SHS and SHC sites, while sorghum grown at SAW possessed higher lignin and ash contents. Biomass type sorghum was superior to sweet type as non-food ethanol feedstock. In particular, biomass type hybrid GN-10 achieved the highest biomass (17.4 t ha−1) and theoretical ethanol yields (5,423 L ha−1) after averaging data for all environmental sites. The most productive hybrid, biomass type GN-4, exhibited biomass and theoretical ethanol yields >42.1 t ha−1 and 14,913 L ha−1, respectively, at the cropland SHC site. In conclusion, energy sorghum grown on marginal lands showed a very lower ethanol potential, indicating a considerable lower possibility for being used as commercial feedstock supply when compared with that grown on regular croplands. Moreover, screening suitable varieties may improve energy sorghum growth and chemical properties for ethanol production on marginal lands. PMID:29686688

S = 1 on a Diamond Lattice in NiRh2O4

NASA Astrophysics Data System (ADS)

Chamorro, Juan; McQueen, Tyrel

An S = 1 system has the potential of rich physics, and has been the subject of intense theoretical work. Extensive work has been done on one-dimensional and two-dimensional S = 1 systems, yet three dimensional systems remain elusive. Experimental realizations of three-dimensional S = 1, however, are limited, and no system to date has been found to genuinely harbor this. Recent theoretical work suggests that S = 1 on a diamond lattice would enable a novel topological paramagnet state, generated by fluctuating Haldane chains within the structure, with topologically protected end states. Here we present data on NiRh2O4, a tetragonal spinel that has a structural phase transition from cubic to tetragonal at T = 380 K. High resolution XRD shows it to have a tetragonally distorted spinel structure, with Ni2+ (d8, S = 1) on the tetrahedral, diamond sublattice site. Magnetic susceptibility and specific heat measurements show that it does not order magnetically down to T = 0.1 K. Nearest neighbor interactions remain the same despite the cubic to tetragonal phase transition. Comparison to theoretical models indicate that this system might fulfill the requirements necessary to have both highly entangled and topological behaviors. IQM Is Funded by US Department of Energy, Office of Basic Energy Sciences, Division of Material Sciences and Engineering, under Grant No. DE-FG02-08ER46544.

Characterizing U.S. Heat Demand Market for Potential Application of Geothermal Direct Use

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

McCabe, Kevin; Gleason, Michael; Reber, Tim

In this paper, we assess the U.S. demand for low-temperature thermal energy at the county resolution for four major end-use sectors: residential buildings, commercial buildings, manufacturing facilities, and agricultural facilities. Existing, publicly available data on the U.S. thermal demand market are characterized by coarse spatial resolution, with assessments typically at the state-level or larger. For many uses, these data are sufficient; however, our research was motivated by an interest in assessing the potential demand for direct use (DU) of low-temperature (30 degrees to 150 degrees C) geothermal heat. The availability and quality of geothermal resources for DU applications are highlymore » spatially heterogeneous; therefore, to assess the potential market for these resources, it is necessary to understand the spatial variation in demand for low-temperature resources at a local resolution. This paper presents the datasets and methods we used to develop county-level estimates of the thermal demand for the residential, commercial, manufacturing, and agricultural sectors. Although this analysis was motivated by an interest in geothermal energy deployment, the results are likely to have broader applications throughout the energy industry. The county-resolution thermal demand data developed in this study for four major U.S. sectors may have far-reaching implications for building technologies, industrial processes, and various distributed renewable energy thermal resources (e.g. biomass, solar).« less

Characterizing U.S. Heat Demand for Potential Application of Geothermal Direct Use: Preprint

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

McCabe, Kevin; Gleason, Michael; Reber, Tim

In this paper, we assess the U.S. demand for low-temperature thermal energy at the county resolution for four major end-use sectors: residential buildings, commercial buildings, manufacturing facilities, and agricultural facilities. Existing, publicly available data on the U.S. thermal demand market are characterized by coarse spatial resolution, with assessments typically at the state-level or larger. For many uses, these data are sufficient; however, our research was motivated by an interest in assessing the potential demand for direct use (DU) of low-temperature (30 degrees to 150 degrees C) geothermal heat. The availability and quality of geothermal resources for DU applications are highlymore » spatially heterogeneous; therefore, to assess the potential market for these resources, it is necessary to understand the spatial variation in demand for low-temperature resources at a local resolution. This paper presents the datasets and methods we used to develop county-level estimates of the thermal demand for the residential, commercial, manufacturing, and agricultural sectors. Although this analysis was motivated by an interest in geothermal energy deployment, the results are likely to have broader applications throughout the energy industry. The county-resolution thermal demand data developed in this study for four major U.S. sectors may have far-reaching implications for building technologies, industrial processes, and various distributed renewable energy thermal resources (e.g. biomass, solar).« less

A New Potential Energy Surface for N+O2: Is There an NOO Minimum?

NASA Technical Reports Server (NTRS)

Walch, Stephen P.

1995-01-01

We report a new calculation of the N+02 potential energy surface using complete active space self-consistent field internally contracted configuration interaction with the Dunning correlation consistent basis sets. The peroxy isomer of N02 is found to be a very shallow minimum separated from NO+O by a barrier of only 0.3 kcal/mol (excluding zero-point effects). The entrance channel barrier height is estimated to be 8.6 kcal/mol for ICCI+Q calculations correlating all but the Ols and N1s electrons with a cc-p VQZ basis set.

Update on DOE’s Nuclear Energy University Program

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

M. J. Lambregts

2009-04-01

The Center for Advanced Energy Studies (CAES) Nuclear Energy University Program Office assists the U.S. Department of Energy Office of Nuclear Energy (DOE-NE) by administering its University Program. To promote accountable relationships between universities and the TIOs/TDOs, a process was designed and administered which includes two competitive Requests for Proposals (RFP’s) and two FOAs in the following areas: (1)Research and Development Grants, (2)Infrastructure improvement, and (3)Scholarships and Fellowships. NEUP will also host periodic reviews of university mission-specific R&D that document progress, reinforce accountability, and assess return on investment; sponsor workshops that inform universities of the Department’s research needs to facilitatemore » continued alignment of university R&D with NE missions; and conduct communications activities that foster stakeholder trust, serve as a catalyst for accomplishing NEUP objectives, and provide national visibility of NEUP activities and accomplishments. Year to date efforts to achieve these goals will be discussed.« less

Energy transfer and reaction dynamics of matrix-isolated 1,2-difluoroethane-d4

NASA Astrophysics Data System (ADS)

Raff, Lionel M.

1990-09-01

The molecular dynamics of vibrationally excited 1,2-difluoroethane-d4 isolated in Ar, Kr, and Xe matrices at 12 K are investigated using trajectory methods. The matrix model is an fcc crystal containing 125 unit cells with 666 atoms in a cubic (5×5×5) arrangement. It is assumed that 1,2-difluoroethane-d4 is held interstitially within the volume bounded by the innermost unit cell of the crystal. The transport effects of the bulk are simulated using the velocity reset method introduced by Riley, Coltrin, and Diestler [J. Chem. Phys. 88, 5934 (1988)]. The system potential is written as the separable sum of a lattice potential, a lattice-molecule interaction and a gas-phase potential for 1,2-difluoroethane. The first two of these are assumed to have pairwise form while the molecular potential is a modified form of the global potential previously developed for 1,2-difluoroethane [J. Phys. Chem. 91, 3266 (1987)]. Calculated sublimation energies for the pure crystals are in good accord with the experimental data. The distribution of metastable-state energies for matrix-isolated 1,2-difluoroethane-d4 is Gaussian in form. In krypton, the full width at half maximum for the distribution is 0.37 eV. For a total excitation energy of 6.314 eV, the observed dynamic processes are vibrational relaxation, orientational exchange, and four-center DF elimination reactions. The first of these processes is characterized by a near linear, first-order decay curve with rate coefficients in the range 1.30-1.48×1011 s-1. The average rates in krypton and xenon are nearly equal. The process is slightly slower in argon. The decay curves exhibit characteristic high-frequency oscillations that are generally seen in energy transfer studies. It is demonstrated that these oscillations are associated with the frequencies for intramolecular energy transfer so that the entire frequency spectrum for such transfer processes can be obtained from the Fourier transform of the decay curve. Orientational

Potential for energy recovery from humid air streams.

Treesearch

Howard H. Rosen

1979-01-01

The potential for energy recovery from the vent stream of dryers is examined by assuming the vent stream transfers its energy in a regenerative heat exchanger. Tables present energy recovery over a range of conditions. Example problems demonstrate the use of the energy recovery tables.

The extended Lennard-Jones potential energy function: A simpler model for direct-potential-fit analysis

NASA Astrophysics Data System (ADS)

Hajigeorgiou, Photos G.

2016-12-01

An analytical model for the diatomic potential energy function that was recently tested as a universal function (Hajigeorgiou, 2010) has been further modified and tested as a suitable model for direct-potential-fit analysis. Applications are presented for the ground electronic states of three diatomic molecules: oxygen, carbon monoxide, and hydrogen fluoride. The adjustable parameters of the extended Lennard-Jones potential model are determined through nonlinear regression by fits to calculated rovibrational energy term values or experimental spectroscopic line positions. The model is shown to lead to reliable, compact and simple representations for the potential energy functions of these systems and could therefore be classified as a suitable and attractive model for direct-potential-fit analysis.

{{\\rm{H}}}_{2}\\,X{}^{1}{{\\rm{\\Sigma }}}_{g}^{+}-c{}^{3}{{\\rm{\\Pi }}}_{u} Excitation by Electron Impact: Energies, Spectra, Emission Yields, Cross-sections, and H(1s) Kinetic Energy Distributions

NASA Astrophysics Data System (ADS)

Liu, Xianming; Shemansky, Donald E.; Yoshii, Jean; Liu, Melinda J.; Johnson, Paul V.; Malone, Charles P.; Khakoo, Murtadha A.

2017-10-01

The c{}3{{{\\Pi }}}u state of the hydrogen molecule has the second largest triplet-state excitation cross-section, and plays an important role in the heating of the upper thermospheres of outer planets by electron excitation. Precise energies of the H2, D2, and HD c{}3{{{\\Pi }}}u-(v,N) levels are calculated from highly accurate ab initio potential energy curves that include relativistic, radiative, and empirical non-adiabatic corrections. The emission yields are determined from predissociation rates and refined radiative transition probabilities. The excitation function and excitation cross-section of the c{}3{{{\\Pi }}}u state are extracted from previous theoretical calculations and experimental measurements. The emission cross-section is determined from the calculated emission yield and the extracted excitation cross-section. The kinetic energy (E k ) distributions of H atoms produced via the predissociation of the c{}3{{{\\Pi }}}u state, the c{}3{{{\\Pi }}}u- - b{}3{{{Σ }}}u+ dissociative emission by the magnetic dipole and electric quadrupole, and the c{}3{{{\\Pi }}}u - a{}3{{{Σ }}}g+ - b{}3{{{Σ }}}u+ cascade dissociative emission by the electric dipole are obtained. The predissociation of the c{}3{{{\\Pi }}}u+ and c{}3{{{\\Pi }}}u- states both produce H(1s) atoms with an average E k of ˜4.1 eV/atom, while the c{}3{{{\\Pi }}}u- - b{}3{{{Σ }}}u+ dissociative emissions by the magnetic dipole and electric quadrupole give an average E k of ˜1.0 and ˜0.8 eV/atom, respectively. The c{}3{{{\\Pi }}}u - a{}3{{{Σ }}}g+ - b{}3{{{Σ }}}u+ cascade and dissociative emission gives an average E k of ˜1.3 eV/atom. On average, each H2 excited to the c{}3{{{\\Pi }}}u state in an H2-dominated atmosphere deposits ˜7.1 eV into the atmosphere while each H2 directly excited to the a{}3{{{Σ }}}g+ and d{}3{{{\\Pi }}}u states contribute ˜2.3 and ˜3.3 eV, respectively, to the atmosphere. The spectral distribution of the calculated continuum emission arising from the X{}1{{{�

Energy Level Engineering of MoS2 by Transition-Metal Doping for Accelerating Hydrogen Evolution Reaction.

PubMed

Shi, Yi; Zhou, Yue; Yang, Dong-Rui; Xu, Wei-Xuan; Wang, Chen; Wang, Feng-Bin; Xu, Jing-Juan; Xia, Xing-Hua; Chen, Hong-Yuan

2017-11-01

Water-splitting devices for hydrogen generation through electrolysis (hydrogen evolution reaction, HER) hold great promise for clean energy. However, their practical application relies on the development of inexpensive and efficient catalysts to replace precious platinum catalysts. We previously reported that HER can be largely enhanced through finely tuning the energy level of molybdenum sulfide (MoS 2 ) by hot electron injection from plasmonic gold nanoparticles. Under this inspiration, herein, we propose a strategy to improve the HER performance of MoS 2 by engineering its energy level via direct transition-metal doping. We find that zinc-doped MoS 2 (Zn-MoS 2 ) exhibits superior electrochemical activity toward HER as evidenced by the positively shifted onset potential to -0.13 V vs RHE. A turnover of 15.44 s -1 at 300 mV overpotential is achieved, which by far exceeds the activity of MoS 2 catalysts reported. The large enhancement can be attributed to the synergistic effect of electronic effect (energy level matching) and morphological effect (rich active sites) via thermodynamic and kinetic acceleration, respectively. This design opens up further opportunities for improving electrocatalysts by incorporating promoters, which broadens the understanding toward the optimization of electrocatalytic activity of these unique materials.

Spacecraft potential control on ISEE-1

NASA Technical Reports Server (NTRS)

Gonfalone, A.; Pedersen, A.; Fahleson, U. V.; Faelthammar, C. G.; Mozer, F. S.; Torbert, R. B.

1979-01-01

Active control of the potential of the ISEE-1 satellite by the use of electron guns is reviewed. The electron guns contain a special cathode capable of emitting an electron current selectable between 10 to the -8th power and 10 to the -3rd power at energies from approximately .6 to 41 eV. Results obtained during flight show that the satellite potential can be stabilized at a value more positive than the normally positive floating potential. The electron guns also reduce the spin modulation of the spacecraft potential which is due to the aspect dependent photoemission of the long booms. Plasma parameters like electron temperature and density can be deduced from the variation of the spacecraft potential as a function of the gun current. The effects of electron beam emission on other experiments are briefly mentioned.

A U.S. Strategy for Timely Fusion Energy Development

NASA Astrophysics Data System (ADS)

Wade, Mickey

2017-10-01

Worldwide energy demand is expected to explode in the latter half of this century. In anticipation of this demand, the U.S. DOE recently asked the National Academy of Science to provide guidance on a long-term strategic plan assuming that ``economical fusion energy within the next several decades is a U.S. strategic interest. ``Delivering on such a plan will require an R&D program that delivers key data and understanding on the building blocks of a) burning plasma physics, b) optimization of the coupled core-edge solution, and c) fusion nuclear science to inform the design of a cost-attractive DEMO reactor in this time frame. Such a program should leverage existing facilities in the U.S. program including ITER, provide substantive motivation for an expanding R&D scope (and funding), and enable timely redirection of resources within the program as appropriate (and endorsed by DOE and the fusion community). This paper will outline a potential strategy that provides world-leading opportunities for the research community in a range of areas while delivering on key milestones required for timely fusion energy development. Supported by General Atomics internal funding.

Energy Impacts of Wide Band Gap Semiconductors in U.S. Light-Duty Electric Vehicle Fleet.

PubMed

Warren, Joshua A; Riddle, Matthew E; Graziano, Diane J; Das, Sujit; Upadhyayula, Venkata K K; Masanet, Eric; Cresko, Joe

2015-09-01

Silicon carbide and gallium nitride, two leading wide band gap semiconductors with significant potential in electric vehicle power electronics, are examined from a life cycle energy perspective and compared with incumbent silicon in U.S. light-duty electric vehicle fleet. Cradle-to-gate, silicon carbide is estimated to require more than twice the energy as silicon. However, the magnitude of vehicle use phase fuel savings potential is comparatively several orders of magnitude higher than the marginal increase in cradle-to-gate energy. Gallium nitride cradle-to-gate energy requirements are estimated to be similar to silicon, with use phase savings potential similar to or exceeding that of silicon carbide. Potential energy reductions in the United States vehicle fleet are examined through several scenarios that consider the market adoption potential of electric vehicles themselves, as well as the market adoption potential of wide band gap semiconductors in electric vehicles. For the 2015-2050 time frame, cumulative energy savings associated with the deployment of wide band gap semiconductors are estimated to range from 2-20 billion GJ depending on market adoption dynamics.

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

PubMed

Zahariev, Federico; Levy, Mel

2017-01-12

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

The global technical potential of bio-energy in 2050 considering sustainability constraints

PubMed Central

Haberl, Helmut; Beringer, Tim; Bhattacharya, Sribas C; Erb, Karl-Heinz; Hoogwijk, Monique

2010-01-01

Bio-energy, that is, energy produced from organic non-fossil material of biological origin, is promoted as a substitute for non-renewable (e.g., fossil) energy to reduce greenhouse gas (GHG) emissions and dependency on energy imports. At present, global bio-energy use amounts to approximately 50 EJ/yr, about 10% of humanity's primary energy supply. We here review recent literature on the amount of bio-energy that could be supplied globally in 2050, given current expectations on technology, food demand and environmental targets (‘technical potential’). Recent studies span a large range of global bio-energy potentials from ≈30 to over 1000 EJ/yr. In our opinion, the high end of the range is implausible because of (1) overestimation of the area available for bio-energy crops due to insufficient consideration of constraints (e.g., area for food, feed or nature conservation) and (2) too high yield expectations resulting from extrapolation of plot-based studies to large, less productive areas. According to this review, the global technical primary bio-energy potential in 2050 is in the range of 160–270 EJ/yr if sustainability criteria are considered. The potential of bio-energy crops is at the lower end of previously published ranges, while residues from food production and forestry could provide significant amounts of energy based on an integrated optimization (‘cascade utilization’) of biomass flows. PMID:24069093

Tuning the energy band gap of ternary alloyed Cd1-xPbxS quantum dots for photovoltaic applications

NASA Astrophysics Data System (ADS)

Badawi, Ali

2016-02-01

Tuning the energy band gap of ternary alloyed Cd1-xPbxS (x: 0, 0.33, 0.5, 0.67 and 1) quantum dots (QDs) for photovoltaic applications is studied. Alloyed Cd1-xPbxS QDs were adsorbed onto TiO2 nanoparticles (NPs) using ssuccessive ionic layer adsorption and reaction (SILAR) methode. EDX measurements ensure the success adsorption of alloyed Cd1-xPbxS QDs onto the TiO2 electrode. At 100 mW/cm2 (AM 1.5) sun illumination, the photovoltaic performance of alloyed Cd1-xPbxS QDs sensitized solar cells (QDSSCs) was measured. The maximum values of Jsc (1.92 mA/cm2) and η (0.36%) for the alloyed Cd1-xPbxS QDSSCs were obtained when the molar ratio of Cd/Pb is 0.33/0.67. the open circuit voltage (Voc) is equal 0.61 ± 0.01 V for all alloyed Cd1-xPbxS QDSSCs. The electron back recombination rates decrease considerably for alloyed Cd1-xPbxS QDSSCs as x value increases, peaking at 0.67. The electron lifetime (τ) for Cd0.33Pb0.67S QDSSCs is one order of magnitude larger than that of the other alloyed Cd1-xPbxS QDSSCs with different x value. Under ON-OFF cycles to solar illumination, the open circuit voltage decay measurements show the high sensitivity and reproducibility of alloyed Cd1-xPbxS QDSSCs.

Unraveling the Raman Enhancement Mechanism on 1T'-Phase ReS2 Nanosheets.

PubMed

Miao, Peng; Qin, Jing-Kai; Shen, Yunfeng; Su, Huimin; Dai, Junfeng; Song, Bo; Du, Yunchen; Sun, Mengtao; Zhang, Wei; Wang, Hsing-Lin; Xu, Cheng-Yan; Xu, Ping

2018-04-01

2D transition metal dichalcogenides materials are explored as potential surface-enhanced Raman spectroscopy substrates. Herein, a systematic study of the Raman enhancement mechanism on distorted 1T (1T') rhenium disulfide (ReS 2 ) nanosheets is demonstrated. Combined Raman and photoluminescence studies with the introduction of an Al 2 O 3 dielectric layer unambiguously reveal that Raman enhancement on ReS 2 materials is from a charge transfer process rather than from an energy transfer process, and Raman enhancement is inversely proportional while the photoluminescence quenching effect is proportional to the layer number (thickness) of ReS 2 nanosheets. On monolayer ReS 2 film, a strong resonance-enhanced Raman scattering effect dependent on the laser excitation energy is detected, and a detection limit as low as 10 -9 m can be reached from the studied dye molecules such as rhodamine 6G and methylene blue. Such a high enhancement factor achieved through enhanced charge interaction between target molecule and substrate suggests that with careful consideration of the layer-number-dependent feature and excitation-energy-related resonance effect, ReS 2 is a promising Raman enhancement platform for sensing applications. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Exploration of anti-Malassezia potential of Nyctanthes arbor-tristis L. and their application to combat the infection caused by Mala s1 a novel allergen.

PubMed

Mishra, Rohit K; Mishra, Vani; Pandey, Anand; Tiwari, Amit K; Pandey, Himanshu; Sharma, Shivesh; Pandey, Avinash C; Dikshit, Anupam

2016-03-31

Malassezia commensal yeasts along with multitude of antigens have been found to be associated with various skin disorders including Pityriasis versicolor (PV). Amongst them Mala s1, a 37 kDa protein has been proved to be a major allergen reacting with a large panel of sera. However, there exists no therapeutic alternative to combat such problems in form of plant based natural compounds. The purpose of this study is in the first place, to determine the anti-Malassezia activity of Nyctanthes arbor-tristis L. (NAT) ethanolic leaf extract through turbidimetric growth curves, disruption of plasma membrane and secondly, it aims to present in silico validation of its active constituents over Mala s1a novel allergen. The antifungal susceptibility 50 % ethanolic extract of NAT was determined by broth microdilution method according to CLSI guidelines. Further MICs and IC50 were determined spectrophotometrically using the software SoftMax® Pro-5 (Molecular Devices, USA). Active constituents mediated disruption of plasma membrane was studied through flowcytometry by permeabilization of fluorescent dye Propidium Iodide (PI). Antioxidant activity of the extract was determined using the DPPH stable radical. Molecular validation of fungal DNA from the extract was observed using PCR amplification. In silico analysis of its active constituents over Mala s1 was performed using HEX software and visualized through Pymol. The anti-Malassezia potential of NAT leaf extracts reflected moderate MIC 1.05 μg/μl against M. globosa, while least effective against M. restricta with MIC 1.47 μg/μl. A linear correlation coefficient R (2) = 0.866 was obtained in case of M. globosa while minimum was observed in M. restricta with R (2) = 0.732. The flow cytometric data reveal ~ 75 % cell death when treated with active constituents β-Sitosterol and Calceolarioside A. The docking confirmations and the interaction energies between Mala s1 and the active constituents (β-Sitosterol and

Analysis of energy-saving potential in residential buildings in Xiamen City and its policy implications for southern China

NASA Astrophysics Data System (ADS)

Guo, Fei

The buildings sector is the largest energy-consuming sector in the world. Residential buildings consume about three-quarters of the final energy in the buildings sector. Promoting residential energy savings is in consequence critical for addressing many energy-use-related environmental challenges, such as climate change and air pollution. Given China's robust economic growth and fast urbanization, it is now a critical time to develop policy interventions on residential energy use in the nation. With this as a background, this dissertation explores effective policy intervention opportunities in southern China through analyzing the residential energy-saving potential, using the city of Xiamen as a case study. Four types of residential energy-saving potential are analyzed: technical potential, economic potential, maximum achievable potential (MAP), and possible achievable potential (PAP). Of these, the first two types are characterized as static theoretical evaluation, while the last two represent dynamic evaluation within a certain time horizon. The achievable potential analyses are rarely seen in existing literature. The analytical results reveal that there exists a significant technical potential for residential energy savings of about 20.9-24.9% in the city of Xiamen. Of the technical potential, about two-thirds to four-fifths are cost-effective from the government or society perspective. The cost-effectiveness is evaluated by comparing the "Levelized Cost of Conserved Energy (LCOCE)" of available advanced technical measures with the "Actual Cost" of conserved energy. The "Actual Cost" of energy is defined by adding the environmental externalities costs and hidden government subsidies over the retail prices of energy. The achievable potential analyses are particularly based on two key realistic factors: 1) the gradual ramping-up adoption process of advanced technical measures; and 2) individuals' adoption-decision making on them. For implementing the achievable

High-energy asymmetric supercapacitors based on free-standing hierarchical Co-Mo-S nanosheets with enhanced cycling stability.

PubMed

Balamurugan, Jayaraman; Li, Chao; Peera, Shaik Gouse; Kim, Nam Hoon; Lee, Joong Hee

2017-09-21

Layered transition metal sulfides (TMS) are emerging as advanced materials for energy storage and conversion applications. In this work, we report a facile and cost-effective anion exchange technique to fabricate a layered, multifaceted, free standing, ultra-thin ternary cobalt molybdenum sulfide nanosheet (Co-Mo-S NS) architecture grown on a 3D porous Ni foam substrate. The unique Co-Mo layered double hydroxides are first synthesized as precursors and consequently transformed into ultra-thin Co-Mo-S NS. When employed as an electrode for supercapacitors, the Co-Mo-S NS delivered an ultra-high specific capacitance of 2343 F g -1 at a current density of 1 mA cm -2 with tremendous rate capability and extraordinary cycling performance (96.6% capacitance retention after 20 000 cycles). Furthermore, assembled Co-Mo-S/nitrogen doped graphene nanosheets (NGNS) in an asymmetric supercapacitor (ASC) device delivered an excellent energy density of 89.6 Wh kg -1 , an amazing power density of 20.07 kW kg -1 , and superior cycling performance (86.8% capacitance retention after 50 000 cycles). Such exceptional electrochemical performance of Co-Mo-S NS is ascribed to the good electrical contact with the 3D Ni foam, ultra-high contact area with the electrolyte, and enhanced architectural softening during the charging/discharging process. It is expected that the fabricated, unique, ultra-thin Co-Mo-S NS have great potential for future energy storage devices.

Electron impact excitation of the low-lying 3s[3/2]{sub 1} and 3s{sup ′}[1/2]{sub 1} levels in neon for incident energies between 20 and 300 eV

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

Hoshino, M., E-mail: masami-h@sophia.ac.jp; Murai, H.; Kato, H.

2013-11-14

Absolute differential cross sections (DCSs) for electron impact of the two lower-lying 3s[3/2]{sub 1} ({sup 3}P{sub 0}) and 3s{sup ′}[1/2]{sub 1} ({sup 1}P{sub 1}) electronic states in neon (Ne) have been determined for eight incident electron energies in the range 20–300 eV. Comparisons between our results and previous measurements and calculations, where possible, are provided with best agreement being found with the recent large-scale B-spline R-matrix computations [O. Zatsarinny and K. Bartschat, Phys. Rev. A 86, 022717 (2012)]. Based on these DCSs at 100, 200, and 300 eV, a generalised oscillator strength analysis enabled us to determine estimates for themore » optical oscillator strengths of the 3s[3/2]{sub 1} and 3s{sup ′}[1/2]{sub 1} levels. In this case, excellent agreement was found with a range of independent experiments and calculations, giving us some confidence in the validity of our measurement and analysis procedures. Integral cross sections, derived from the present DCSs, were presented graphically and discussed elsewhere [M. Hoshino, H. Murai, H. Kato, Y. Itikawa, M. J. Brunger, and H. Tanaka, Chem. Phys. Lett. 585, 33 (2013)], but are tabulated here for completeness.« less

Dynamics of 28,30S i* compound nuclei formed at sub-barrier energies

NASA Astrophysics Data System (ADS)

Kaur, Manpreet; Singh, Bir Bikram; Kaur, Sarbjeet

2018-05-01

The decay of 28S i* and 30S i* compound nuclei (CN) formed at sub-barrier energies, in the reactions induced by stable projectile 16O and exotic projectile 18O, respectively, has been investigated within the quantum mechanical fragmentation theory based dynamical cluster-decay model (DCM). The collective potential energy surface shows that xα-type (x is an integer) clusters are minimized in the decay of 28S i* while in case of 30S i* in addition to xα-type clusters, np-xα (n, p are neutron and proton, respectively) type clusters are also minimized. These minimized fragments have more preformation probability P0, which is an important factor through which nuclear structure effects of decaying CN are probed, within DCM. The results show that light particles (LPs) are contributing mostly in the fusion cross-section, σfusion. In case of 30S i*, the contribution of 1n is highest and more compared to 4He in case of 28S i*, which seems to play an important role in fusion enhancement. The DCM calculated σfusion for both the CN formed with same Ec.m. = 7.0 MeV gives more value for σfusion of 30S i*, in agreement with the experimental data.

X-ray photoelectron spectrometry and binding energies of Be 1s and O 1s core levels in clinobarylite, BaBe{sub 2}Si{sub 2}O{sub 7}, from Khibiny massif, Kola peninsula

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

Atuchin, V.V.; Kesler, V.G.; Sapozhnikov, V.K.

2008-09-15

The electronic structure of BaBe{sub 2}Si{sub 2}O{sub 7}, clinobarylite, has been investigated by means of X-ray photoelectron spectroscopy (XPS). The valence band of the crystal is mainly formed by Ba 5p, Ba 3s and O 2s states. At higher binding energies the emission lines related to the Si 2p, Be 1s, Si 2s, O 1s and numerous Ba-related states were analyzed in the photoemission spectrum. The Si KLL Auger line has been measured under excitation by the bremsstrahlung X-rays from the Al anode. Chemical bonding effects for Be 1s core level have been considered by comparison with electronic parameters measuredmore » for other beryllium containing oxides.« less

Calorific evaluation and energy potential of grape pomace

NASA Astrophysics Data System (ADS)

Burg, Patrik; Ludín, David; Rutkowski, Kazimierz; Krakowiak-Bal, Anna; Trávníček, Petr; Zemánek, Pavel; Turan, Jan; Višacki, Vladimir

2016-04-01

This article deals with energetic evaluation and potential of pomace - a waste product originating during production of grape wine. Calorimetric analysis of 19 grapevine varieties was performed in 2013 and 2014. The aim was to specify their combustible limit and the gross calorific value. The evaluations were performed on pristine pomace, pomace without seeds, and only on seeds themselves. The results obtained imply that pomace is an interesting energetic resource with a gross calorific value of 16.07-18.97 MJ kg-1. Lower calorific values were detected in pomace after seed separation ie 14.60-17.75 MJ kg-1; on the contrary, seeds alone had the highest calorific values of 19.78-21.13 MJ kg-1. It can be assumed from the results of energetic evaluation of pomace in Czech Republic conditions that, by purposeful and efficient usage of pomace, 6.4 GWh of electric energy and 28 GWh of thermal energy can be generated.

Determination of the strong coupling constant α _{s} from transverse energy-energy correlations in multijet events at √{s} = 8 TeV using the ATLAS detector

NASA Astrophysics Data System (ADS)

Aaboud, M.; Aad, G.; Abbott, B.; Abdallah, J.; Abdinov, O.; Abeloos, B.; Abidi, S. H.; AbouZeid, O. S.; Abraham, N. L.; Abramowicz, H.; Abreu, H.; Abreu, R.; Abulaiti, Y.; Acharya, B. S.; Adachi, S.; Adamczyk, L.; Adelman, J.; Adersberger, M.; Adye, T.; Affolder, A. A.; Agatonovic-Jovin, T.; Agheorghiesei, C.; Aguilar-Saavedra, J. A.; Ahlen, S. P.; Ahmadov, F.; Aielli, G.; Akatsuka, S.; Akerstedt, H.; Åkesson, T. P. A.; Akilli, E.; Akimov, A. V.; Alberghi, G. L.; Albert, J.; Albicocco, P.; Alconada Verzini, M. J.; Aleksa, M.; Aleksandrov, I. N.; Alexa, C.; Alexander, G.; Alexopoulos, T.; Alhroob, M.; Ali, B.; Aliev, M.; Alimonti, G.; Alison, J.; Alkire, S. P.; Allbrooke, B. M. M.; Allen, B. W.; Allport, P. P.; Aloisio, A.; Alonso, A.; Alonso, F.; Alpigiani, C.; Alshehri, A. A.; Alstaty, M. I.; Alvarez Gonzalez, B.; Álvarez Piqueras, D.; Alviggi, M. G.; Amadio, B. T.; Amaral Coutinho, Y.; Amelung, C.; Amidei, D.; Amor Dos Santos, S. P.; Amorim, A.; Amoroso, S.; Amundsen, G.; Anastopoulos, C.; Ancu, L. S.; Andari, N.; Andeen, T.; Anders, C. F.; Anders, J. K.; Anderson, K. J.; Andreazza, A.; Andrei, V.; Angelidakis, S.; Angelozzi, I.; Angerami, A.; Anisenkov, A. V.; Anjos, N.; Annovi, A.; Antel, C.; Antonelli, M.; Antonov, A.; Antrim, D. J.; Anulli, F.; Aoki, M.; Aperio Bella, L.; Arabidze, G.; Arai, Y.; Araque, J. P.; Araujo Ferraz, V.; Arce, A. T. H.; Ardell, R. E.; Arduh, F. A.; Arguin, J.-F.; Argyropoulos, S.; Arik, M.; Armbruster, A. J.; Armitage, L. J.; Arnaez, O.; Arnold, H.; Arratia, M.; Arslan, O.; Artamonov, A.; Artoni, G.; Artz, S.; Asai, S.; Asbah, N.; Ashkenazi, A.; Asquith, L.; Assamagan, K.; Astalos, R.; Atkinson, M.; Atlay, N. B.; Augsten, K.; Avolio, G.; Axen, B.; Ayoub, M. K.; Azuelos, G.; Baas, A. E.; Baca, M. J.; Bachacou, H.; Bachas, K.; Backes, M.; Backhaus, M.; Bagnaia, P.; Bahrasemani, H.; Baines, J. T.; Bajic, M.; Baker, O. K.; Baldin, E. M.; Balek, P.; Balli, F.; Balunas, W. K.; Banas, E.; Banerjee, Sw.; Bannoura, A. A. E.; Barak, L.; Barberio, E. L.; Barberis, D.; Barbero, M.; Barillari, T.; Barisits, M.-S.; Barkeloo, J. T.; Barklow, T.; Barlow, N.; Barnes, S. L.; Barnett, B. M.; Barnett, R. M.; Barnovska-Blenessy, Z.; Baroncelli, A.; Barone, G.; Barr, A. J.; Barranco Navarro, L.; Barreiro, F.; Barreiro Guimarães da Costa, J.; Bartoldus, R.; Barton, A. E.; Bartos, P.; Basalaev, A.; Bassalat, A.; Bates, R. L.; Batista, S. J.; Batley, J. R.; Battaglia, M.; Bauce, M.; Bauer, F.; Bawa, H. S.; Beacham, J. B.; Beattie, M. D.; Beau, T.; Beauchemin, P. H.; Bechtle, P.; Beck, H. P.; Becker, K.; Becker, M.; Beckingham, M.; Becot, C.; Beddall, A. J.; Beddall, A.; Bednyakov, V. A.; Bedognetti, M.; Bee, C. P.; Beermann, T. A.; Begalli, M.; Begel, M.; Behr, J. K.; Bell, A. S.; Bella, G.; Bellagamba, L.; Bellerive, A.; Bellomo, M.; Belotskiy, K.; Beltramello, O.; Belyaev, N. L.; Benary, O.; Benchekroun, D.; Bender, M.; Bendtz, K.; Benekos, N.; Benhammou, Y.; Benhar Noccioli, E.; Benitez, J.; Benjamin, D. P.; Benoit, M.; Bensinger, J. R.; Bentvelsen, S.; Beresford, L.; Beretta, M.; Berge, D.; Bergeaas Kuutmann, E.; Berger, N.; Beringer, J.; Berlendis, S.; Bernard, N. R.; Bernardi, G.; Bernius, C.; Bernlochner, F. U.; Berry, T.; Berta, P.; Bertella, C.; Bertoli, G.; Bertolucci, F.; Bertram, I. A.; Bertsche, C.; Bertsche, D.; Besjes, G. J.; Bessidskaia Bylund, O.; Bessner, M.; Besson, N.; Betancourt, C.; Bethani, A.; Bethke, S.; Bevan, A. J.; Beyer, J.; Bianchi, R. M.; Biebel, O.; Biedermann, D.; Bielski, R.; Biesuz, N. V.; Biglietti, M.; Bilbao De Mendizabal, J.; Billoud, T. R. V.; Bilokon, H.; Bindi, M.; Bingul, A.; Bini, C.; Biondi, S.; Bisanz, T.; Bittrich, C.; Bjergaard, D. M.; Black, C. W.; Black, J. E.; Black, K. M.; Blair, R. E.; Blazek, T.; Bloch, I.; Blocker, C.; Blue, A.; Blum, W.; Blumenschein, U.; Blunier, S.; Bobbink, G. J.; Bobrovnikov, V. S.; Bocchetta, S. S.; Bocci, A.; Bock, C.; Boehler, M.; Boerner, D.; Bogavac, D.; Bogdanchikov, A. G.; Bohm, C.; Boisvert, V.; Bokan, P.; Bold, T.; Boldyrev, A. S.; Bolz, A. E.; Bomben, M.; Bona, M.; Boonekamp, M.; Borisov, A.; Borissov, G.; Bortfeldt, J.; Bortoletto, D.; Bortolotto, V.; Boscherini, D.; Bosman, M.; Bossio Sola, J. D.; Boudreau, J.; Bouffard, J.; Bouhova-Thacker, E. V.; Boumediene, D.; Bourdarios, C.; Boutle, S. K.; Boveia, A.; Boyd, J.; Boyko, I. R.; Bracinik, J.; Brandt, A.; Brandt, G.; Brandt, O.; Bratzler, U.; Brau, B.; Brau, J. E.; Breaden Madden, W. D.; Brendlinger, K.; Brennan, A. J.; Brenner, L.; Brenner, R.; Bressler, S.; Briglin, D. L.; Bristow, T. M.; Britton, D.; Britzger, D.; Brochu, F. M.; Brock, I.; Brock, R.; Brooijmans, G.; Brooks, T.; Brooks, W. K.; Brosamer, J.; Brost, E.; Broughton, J. H.; Bruckman de Renstrom, P. A.; Bruncko, D.; Bruni, A.; Bruni, G.; Bruni, L. S.; Brunt, BH; Bruschi, M.; Bruscino, N.; Bryant, P.; Bryngemark, L.; Buanes, T.; Buat, Q.; Buchholz, P.; Buckley, A. G.; Budagov, I. A.; Buehrer, F.; Bugge, M. K.; Bulekov, O.; Bullock, D.; Burch, T. J.; Burdin, S.; Burgard, C. D.; Burger, A. M.; Burghgrave, B.; Burka, K.; Burke, S.; Burmeister, I.; Burr, J. T. P.; Busato, E.; Büscher, D.; Büscher, V.; Bussey, P.; Butler, J. M.; Buttar, C. M.; Butterworth, J. M.; Butti, P.; Buttinger, W.; Buzatu, A.; Buzykaev, A. R.; Cabrera Urbán, S.; Caforio, D.; Cairo, V. M.; Cakir, O.; Calace, N.; Calafiura, P.; Calandri, A.; Calderini, G.; Calfayan, P.; Callea, G.; Caloba, L. P.; Calvente Lopez, S.; Calvet, D.; Calvet, S.; Calvet, T. P.; Camacho Toro, R.; Camarda, S.; Camarri, P.; Cameron, D.; Caminal Armadans, R.; Camincher, C.; Campana, S.; Campanelli, M.; Camplani, A.; Campoverde, A.; Canale, V.; Cano Bret, M.; Cantero, J.; Cao, T.; Capeans Garrido, M. D. M.; Caprini, I.; Caprini, M.; Capua, M.; Carbone, R. M.; Cardarelli, R.; Cardillo, F.; Carli, I.; Carli, T.; Carlino, G.; Carlson, B. T.; Carminati, L.; Carney, R. M. D.; Caron, S.; Carquin, E.; Carrá, S.; Carrillo-Montoya, G. D.; Carvalho, J.; Casadei, D.; Casado, M. P.; Casolino, M.; Casper, D. W.; Castelijn, R.; Castillo Gimenez, V.; Castro, N. F.; Catinaccio, A.; Catmore, J. R.; Cattai, A.; Caudron, J.; Cavaliere, V.; Cavallaro, E.; Cavalli, D.; Cavalli-Sforza, M.; Cavasinni, V.; Celebi, E.; Ceradini, F.; Cerda Alberich, L.; Cerqueira, A. S.; Cerri, A.; Cerrito, L.; Cerutti, F.; Cervelli, A.; Cetin, S. A.; Chafaq, A.; Chakraborty, D.; Chan, S. K.; Chan, W. S.; Chan, Y. L.; Chang, P.; Chapman, J. D.; Charlton, D. G.; Chau, C. C.; Chavez Barajas, C. A.; Che, S.; Cheatham, S.; Chegwidden, A.; Chekanov, S.; Chekulaev, S. V.; Chelkov, G. A.; Chelstowska, M. A.; Chen, C.; Chen, H.; Chen, S.; Chen, S.; Chen, X.; Chen, Y.; Cheng, H. C.; Cheng, H. J.; Cheplakov, A.; Cheremushkina, E.; Cherkaoui El Moursli, R.; Chernyatin, V.; Cheu, E.; Cheung, K.; Chevalier, L.; Chiarella, V.; Chiarelli, G.; Chiodini, G.; Chisholm, A. S.; Chitan, A.; Chiu, Y. H.; Chizhov, M. V.; Choi, K.; Chomont, A. R.; Chouridou, S.; Christodoulou, V.; Chromek-Burckhart, D.; Chu, M. C.; Chudoba, J.; Chuinard, A. J.; Chwastowski, J. J.; Chytka, L.; Ciftci, A. K.; Cinca, D.; Cindro, V.; Cioara, I. A.; Ciocca, C.; Ciocio, A.; Cirotto, F.; Citron, Z. H.; Citterio, M.; Ciubancan, M.; Clark, A.; Clark, B. L.; Clark, M. R.; Clark, P. J.; Clarke, R. N.; Clement, C.; Coadou, Y.; Cobal, M.; Coccaro, A.; Cochran, J.; Colasurdo, L.; Cole, B.; Colijn, A. P.; Collot, J.; Colombo, T.; Conde Muiño, P.; Coniavitis, E.; Connell, S. H.; Connelly, I. A.; Constantinescu, S.; Conti, G.; Conventi, F.; Cooke, M.; Cooper-Sarkar, A. M.; Cormier, F.; Cormier, K. J. R.; Corradi, M.; Corriveau, F.; Cortes-Gonzalez, A.; Cortiana, G.; Costa, G.; Costa, M. J.; Costanzo, D.; Cottin, G.; Cowan, G.; Cox, B. E.; Cranmer, K.; Crawley, S. J.; Creager, R. A.; Cree, G.; Crépé-Renaudin, S.; Crescioli, F.; Cribbs, W. A.; Cristinziani, M.; Croft, V.; Crosetti, G.; Cueto, A.; Cuhadar Donszelmann, T.; Cukierman, A. R.; Cummings, J.; Curatolo, M.; Cúth, J.; Czirr, H.; Czodrowski, P.; D'amen, G.; D'Auria, S.; D'eramo, L.; D'Onofrio, M.; Da Cunha Sargedas De Sousa, M. J.; Da Via, C.; Dabrowski, W.; Dado, T.; Dai, T.; Dale, O.; Dallaire, F.; Dallapiccola, C.; Dam, M.; Dandoy, J. R.; Daneri, M. F.; Dang, N. P.; Daniells, A. C.; Dann, N. S.; Danninger, M.; Dano Hoffmann, M.; Dao, V.; Darbo, G.; Darmora, S.; Dassoulas, J.; Dattagupta, A.; Daubney, T.; Davey, W.; David, C.; Davidek, T.; Davies, M.; Davis, D. R.; Davison, P.; Dawe, E.; Dawson, I.; De, K.; de Asmundis, R.; De Benedetti, A.; De Castro, S.; De Cecco, S.; De Groot, N.; de Jong, P.; De la Torre, H.; De Lorenzi, F.; De Maria, A.; De Pedis, D.; De Salvo, A.; De Sanctis, U.; De Santo, A.; De Vasconcelos Corga, K.; De Vivie De Regie, J. B.; Dearnaley, W. J.; Debbe, R.; Debenedetti, C.; Dedovich, D. V.; Dehghanian, N.; Deigaard, I.; Del Gaudio, M.; Del Peso, J.; Del Prete, T.; Delgove, D.; Deliot, F.; Delitzsch, C. M.; Dell'Acqua, A.; Dell'Asta, L.; Dell'Orso, M.; Della Pietra, M.; della Volpe, D.; Delmastro, M.; Delporte, C.; Delsart, P. A.; DeMarco, D. A.; Demers, S.; Demichev, M.; Demilly, A.; Denisov, S. P.; Denysiuk, D.; Derendarz, D.; Derkaoui, J. E.; Derue, F.; Dervan, P.; Desch, K.; Deterre, C.; Dette, K.; Devesa, M. R.; Deviveiros, P. O.; Dewhurst, A.; Dhaliwal, S.; Di Bello, F. A.; Di Ciaccio, A.; Di Ciaccio, L.; Di Clemente, W. K.; Di Donato, C.; Di Girolamo, A.; Di Girolamo, B.; Di Micco, B.; Di Nardo, R.; Di Petrillo, K. F.; Di Simone, A.; Di Sipio, R.; Di Valentino, D.; Diaconu, C.; Diamond, M.; Dias, F. A.; Diaz, M. A.; Diehl, E. B.; Dietrich, J.; Díez Cornell, S.; Dimitrievska, A.; Dingfelder, J.; Dita, P.; Dita, S.; Dittus, F.; Djama, F.; Djobava, T.; Djuvsland, J. I.; do Vale, M. A. B.; Dobos, D.; Dobre, M.; Doglioni, C.; Dolejsi, J.; Dolezal, Z.; Donadelli, M.; Donati, S.; Dondero, P.; Donini, J.; Dopke, J.; Doria, A.; Dova, M. T.; Doyle, A. T.; Drechsler, E.; Dris, M.; Du, Y.; Duarte-Campderros, J.; Dubreuil, A.; Duchovni, E.; Duckeck, G.; Ducourthial, A.; Ducu, O. A.; Duda, D.; Dudarev, A.; Dudder, A. Chr.; Duffield, E. M.; Duflot, L.; Dührssen, M.; Dumancic, M.; Dumitriu, A. E.; Duncan, A. K.; Dunford, M.; Duran Yildiz, H.; Düren, M.; Durglishvili, A.; Duschinger, D.; Dutta, B.; Dyndal, M.; Dziedzic, B. S.; Eckardt, C.; Ecker, K. M.; Edgar, R. C.; Eifert, T.; Eigen, G.; Einsweiler, K.; Ekelof, T.; El Kacimi, M.; El Kosseifi, R.; Ellajosyula, V.; Ellert, M.; Elles, S.; Ellinghaus, F.; Elliot, A. A.; Ellis, N.; Elmsheuser, J.; Elsing, M.; Emeliyanov, D.; Enari, Y.; Endner, O. C.; Ennis, J. S.; Erdmann, J.; Ereditato, A.; Ernis, G.; Ernst, M.; Errede, S.; Escalier, M.; Escobar, C.; Esposito, B.; Estrada Pastor, O.; Etienvre, A. I.; Etzion, E.; Evans, H.; Ezhilov, A.; Ezzi, M.; Fabbri, F.; Fabbri, L.; Fabiani, V.; Facini, G.; Fakhrutdinov, R. M.; Falciano, S.; Falla, R. J.; Faltova, J.; Fang, Y.; Fanti, M.; Farbin, A.; Farilla, A.; Farina, C.; Farina, E. M.; Farooque, T.; Farrell, S.; Farrington, S. M.; Farthouat, P.; Fassi, F.; Fassnacht, P.; Fassouliotis, D.; Faucci Giannelli, M.; Favareto, A.; Fawcett, W. J.; Fayard, L.; Fedin, O. L.; Fedorko, W.; Feigl, S.; Feligioni, L.; Feng, C.; Feng, E. J.; Feng, H.; Fenton, M. J.; Fenyuk, A. B.; Feremenga, L.; Fernandez Martinez, P.; Fernandez Perez, S.; Ferrando, J.; Ferrari, A.; Ferrari, P.; Ferrari, R.; Ferreira de Lima, D. E.; Ferrer, A.; Ferrere, D.; Ferretti, C.; Fiedler, F.; Filipčič, A.; Filipuzzi, M.; Filthaut, F.; Fincke-Keeler, M.; Finelli, K. D.; Fiolhais, M. C. N.; Fiorini, L.; Fischer, A.; Fischer, C.; Fischer, J.; Fisher, W. C.; Flaschel, N.; Fleck, I.; Fleischmann, P.; Fletcher, R. R. M.; Flick, T.; Flierl, B. M.; Flores Castillo, L. R.; Flowerdew, M. J.; Forcolin, G. T.; Formica, A.; Förster, F. A.; Forti, A.; Foster, A. G.; Fournier, D.; Fox, H.; Fracchia, S.; Francavilla, P.; Franchini, M.; Franchino, S.; Francis, D.; Franconi, L.; Franklin, M.; Frate, M.; Fraternali, M.; Freeborn, D.; Fressard-Batraneanu, S. M.; Freund, B.; Froidevaux, D.; Frost, J. A.; Fukunaga, C.; Fusayasu, T.; Fuster, J.; Gabaldon, C.; Gabizon, O.; Gabrielli, A.; Gabrielli, A.; Gach, G. P.; Gadatsch, S.; Gadomski, S.; Gagliardi, G.; Gagnon, L. G.; Galea, C.; Galhardo, B.; Gallas, E. J.; Gallop, B. J.; Gallus, P.; Galster, G.; Gan, K. K.; Ganguly, S.; Gao, Y.; Gao, Y. S.; Garay Walls, F. M.; García, C.; García Navarro, J. E.; García Pascual, J. A.; Garcia-Sciveres, M.; Gardner, R. W.; Garelli, N.; Garonne, V.; Gascon Bravo, A.; Gasnikova, K.; Gatti, C.; Gaudiello, A.; Gaudio, G.; Gavrilenko, I. L.; Gay, C.; Gaycken, G.; Gazis, E. N.; Gee, C. N. P.; Geisen, J.; Geisen, M.; Geisler, M. P.; Gellerstedt, K.; Gemme, C.; Genest, M. H.; Geng, C.; Gentile, S.; Gentsos, C.; George, S.; Gerbaudo, D.; Gershon, A.; Geßner, G.; Ghasemi, S.; Ghneimat, M.; Giacobbe, B.; Giagu, S.; Giannetti, P.; Gibson, S. M.; Gignac, M.; Gilchriese, M.; Gillberg, D.; Gilles, G.; Gingrich, D. M.; Giokaris, N.; Giordani, M. P.; Giorgi, F. M.; Giraud, P. F.; Giromini, P.; Giugni, D.; Giuli, F.; Giuliani, C.; Giulini, M.; Gjelsten, B. K.; Gkaitatzis, S.; Gkialas, I.; Gkougkousis, E. L.; Gkountoumis, P.; Gladilin, L. K.; Glasman, C.; Glatzer, J.; Glaysher, P. C. F.; Glazov, A.; Goblirsch-Kolb, M.; Godlewski, J.; Goldfarb, S.; Golling, T.; Golubkov, D.; Gomes, A.; Gonçalo, R.; Goncalves Gama, R.; Goncalves Pinto Firmino Da Costa, J.; Gonella, G.; Gonella, L.; Gongadze, A.; González de la Hoz, S.; Gonzalez-Sevilla, S.; Goossens, L.; Gorbounov, P. A.; Gordon, H. A.; Gorelov, I.; Gorini, B.; Gorini, E.; Gorišek, A.; Goshaw, A. T.; Gössling, C.; Gostkin, M. I.; Gottardo, C. A.; Goudet, C. R.; Goujdami, D.; Goussiou, A. G.; Govender, N.; Gozani, E.; Graber, L.; Grabowska-Bold, I.; Gradin, P. O. J.; Gramling, J.; Gramstad, E.; Grancagnolo, S.; Gratchev, V.; Gravila, P. M.; Gray, C.; Gray, H. M.; Greenwood, Z. D.; Grefe, C.; Gregersen, K.; Gregor, I. M.; Grenier, P.; Grevtsov, K.; Griffiths, J.; Grillo, A. A.; Grimm, K.; Grinstein, S.; Gris, Ph.; Grivaz, J.-F.; Groh, S.; Gross, E.; Grosse-Knetter, J.; Grossi, G. C.; Grout, Z. J.; Grummer, A.; Guan, L.; Guan, W.; Guenther, J.; Guescini, F.; Guest, D.; Gueta, O.; Gui, B.; Guido, E.; Guillemin, T.; Guindon, S.; Gul, U.; Gumpert, C.; Guo, J.; Guo, W.; Guo, Y.; Gupta, R.; Gupta, S.; Gustavino, G.; Gutierrez, P.; Gutierrez Ortiz, N. G.; Gutschow, C.; Guyot, C.; Guzik, M. P.; Gwenlan, C.; Gwilliam, C. B.; Haas, A.; Haber, C.; Hadavand, H. K.; Haddad, N.; Hadef, A.; Hageböck, S.; Hagihara, M.; Hakobyan, H.; Haleem, M.; Haley, J.; Halladjian, G.; Hallewell, G. D.; Hamacher, K.; Hamal, P.; Hamano, K.; Hamilton, A.; Hamity, G. N.; Hamnett, P. G.; Han, L.; Han, S.; Hanagaki, K.; Hanawa, K.; Hance, M.; Haney, B.; Hanke, P.; Hansen, J. B.; Hansen, J. D.; Hansen, M. C.; Hansen, P. H.; Hara, K.; Hard, A. S.; Harenberg, T.; Hariri, F.; Harkusha, S.; Harrington, R. D.; Harrison, P. F.; Hartmann, N. M.; Hasegawa, M.; Hasegawa, Y.; Hasib, A.; Hassani, S.; Haug, S.; Hauser, R.; Hauswald, L.; Havener, L. B.; Havranek, M.; Hawkes, C. M.; Hawkings, R. J.; Hayakawa, D.; Hayden, D.; Hays, C. P.; Hays, J. M.; Hayward, H. S.; Haywood, S. J.; Head, S. J.; Heck, T.; Hedberg, V.; Heelan, L.; Heidegger, K. K.; Heim, S.; Heim, T.; Heinemann, B.; Heinrich, J. J.; Heinrich, L.; Heinz, C.; Hejbal, J.; Helary, L.; Held, A.; Hellman, S.; Helsens, C.; Henderson, R. C. W.; Heng, Y.; Henkelmann, S.; Henriques Correia, A. M.; Henrot-Versille, S.; Herbert, G. H.; Herde, H.; Herget, V.; Hernández Jiménez, Y.; Herr, H.; Herten, G.; Hertenberger, R.; Hervas, L.; Herwig, T. C.; Hesketh, G. G.; Hessey, N. P.; Hetherly, J. W.; Higashino, S.; Higón-Rodriguez, E.; Hill, E.; Hill, J. C.; Hiller, K. H.; Hillier, S. J.; Hils, M.; Hinchliffe, I.; Hirose, M.; Hirschbuehl, D.; Hiti, B.; Hladik, O.; Hoad, X.; Hobbs, J.; Hod, N.; Hodgkinson, M. C.; Hodgson, P.; Hoecker, A.; Hoeferkamp, M. R.; Hoenig, F.; Hohn, D.; Holmes, T. R.; Homann, M.; Honda, S.; Honda, T.; Hong, T. M.; Hooberman, B. H.; Hopkins, W. H.; Horii, Y.; Horton, A. J.; Hostachy, J.-Y.; Hou, S.; Hoummada, A.; Howarth, J.; Hoya, J.; Hrabovsky, M.; Hrdinka, J.; Hristova, I.; Hrivnac, J.; Hryn'ova, T.; Hrynevich, A.; Hsu, P. J.; Hsu, S.-C.; Hu, Q.; Hu, S.; Huang, Y.; Hubacek, Z.; Hubaut, F.; Huegging, F.; Huffman, T. B.; Hughes, E. W.; Hughes, G.; Huhtinen, M.; Huo, P.; Huseynov, N.; Huston, J.; Huth, J.; Iacobucci, G.; Iakovidis, G.; Ibragimov, I.; Iconomidou-Fayard, L.; Idrissi, Z.; Iengo, P.; Igonkina, O.; Iizawa, T.; Ikegami, Y.; Ikeno, M.; Ilchenko, Y.; Iliadis, D.; Ilic, N.; Introzzi, G.; Ioannou, P.; Iodice, M.; Iordanidou, K.; Ippolito, V.; Isacson, M. F.; Ishijima, N.; Ishino, M.; Ishitsuka, M.; Issever, C.; Istin, S.; Ito, F.; Iturbe Ponce, J. M.; Iuppa, R.; Iwasaki, H.; Izen, J. M.; Izzo, V.; Jabbar, S.; Jackson, P.; Jacobs, R. M.; Jain, V.; Jakobi, K. B.; Jakobs, K.; Jakobsen, S.; Jakoubek, T.; Jamin, D. O.; Jana, D. K.; Jansky, R.; Janssen, J.; Janus, M.; Janus, P. 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G.; Sarrazin, B.; Sasaki, O.; Sato, K.; Sauvan, E.; Savage, G.; Savard, P.; Savic, N.; Sawyer, C.; Sawyer, L.; Saxon, J.; Sbarra, C.; Sbrizzi, A.; Scanlon, T.; Scannicchio, D. A.; Scarcella, M.; Scarfone, V.; Schaarschmidt, J.; Schacht, P.; Schachtner, B. M.; Schaefer, D.; Schaefer, L.; Schaefer, R.; Schaeffer, J.; Schaepe, S.; Schaetzel, S.; Schäfer, U.; Schaffer, A. C.; Schaile, D.; Schamberger, R. D.; Scharf, V.; Schegelsky, V. A.; Scheirich, D.; Schernau, M.; Schiavi, C.; Schier, S.; Schildgen, L. K.; Schillo, C.; Schioppa, M.; Schlenker, S.; Schmidt-Sommerfeld, K. R.; Schmieden, K.; Schmitt, C.; Schmitt, S.; Schmitz, S.; Schnoor, U.; Schoeffel, L.; Schoening, A.; Schoenrock, B. D.; Schopf, E.; Schott, M.; Schouwenberg, J. F. P.; Schovancova, J.; Schramm, S.; Schuh, N.; Schulte, A.; Schultens, M. J.; Schultz-Coulon, H.-C.; Schulz, H.; Schumacher, M.; Schumm, B. A.; Schune, Ph.; Schwartzman, A.; Schwarz, T. A.; Schweiger, H.; Schwemling, Ph.; Schwienhorst, R.; Schwindling, J.; Sciandra, A.; Sciolla, G.; Scornajenghi, M.; Scuri, F.; Scutti, F.; Searcy, J.; Seema, P.; Seidel, S. C.; Seiden, A.; Seixas, J. M.; Sekhniaidze, G.; Sekhon, K.; Sekula, S. J.; Semprini-Cesari, N.; Senkin, S.; Serfon, C.; Serin, L.; Serkin, L.; Sessa, M.; Seuster, R.; Severini, H.; Sfiligoj, T.; Sforza, F.; Sfyrla, A.; Shabalina, E.; Shaikh, N. W.; Shan, L. Y.; Shang, R.; Shank, J. T.; Shapiro, M.; Shatalov, P. B.; Shaw, K.; Shaw, S. M.; Shcherbakova, A.; Shehu, C. Y.; Shen, Y.; Sherafati, N.; Sherwood, P.; Shi, L.; Shimizu, S.; Shimmin, C. O.; Shimojima, M.; Shipsey, I. P. J.; Shirabe, S.; Shiyakova, M.; Shlomi, J.; Shmeleva, A.; Shoaleh Saadi, D.; Shochet, M. J.; Shojaii, S.; Shope, D. R.; Shrestha, S.; Shulga, E.; Shupe, M. A.; Sicho, P.; Sickles, A. M.; Sidebo, P. E.; Sideras Haddad, E.; Sidiropoulou, O.; Sidoti, A.; Siegert, F.; Sijacki, Dj.; Silva, J.; Silverstein, S. B.; Simak, V.; Simic, Lj.; Simion, S.; Simioni, E.; Simmons, B.; Simon, M.; Sinervo, P.; Sinev, N. B.; Sioli, M.; Siragusa, G.; Siral, I.; Sivoklokov, S. Yu.; Sjölin, J.; Skinner, M. B.; Skubic, P.; Slater, M.; Slavicek, T.; Slawinska, M.; Sliwa, K.; Slovak, R.; Smakhtin, V.; Smart, B. H.; Smiesko, J.; Smirnov, N.; Smirnov, S. Yu.; Smirnov, Y.; Smirnova, L. N.; Smirnova, O.; Smith, J. W.; Smith, M. N. K.; Smith, R. W.; Smizanska, M.; Smolek, K.; Snesarev, A. A.; Snyder, I. M.; Snyder, S.; Sobie, R.; Socher, F.; Soffer, A.; Soh, D. A.; Sokhrannyi, G.; Solans Sanchez, C. A.; Solar, M.; Soldatov, E. Yu.; Soldevila, U.; Solodkov, A. A.; Soloshenko, A.; Solovyanov, O. V.; Solovyev, V.; Sommer, P.; Son, H.; Sopczak, A.; Sosa, D.; Sotiropoulou, C. L.; Soualah, R.; Soukharev, A. M.; South, D.; Sowden, B. C.; Spagnolo, S.; Spalla, M.; Spangenberg, M.; Spanò, F.; Sperlich, D.; Spettel, F.; Spieker, T. M.; Spighi, R.; Spigo, G.; Spiller, L. A.; Spousta, M.; St. Denis, R. D.; Stabile, A.; Stamen, R.; Stamm, S.; Stanecka, E.; Stanek, R. W.; Stanescu, C.; Stanitzki, M. M.; Stapf, B. S.; Stapnes, S.; Starchenko, E. A.; Stark, G. H.; Stark, J.; Stark, S. H.; Staroba, P.; Starovoitov, P.; Stärz, S.; Staszewski, R.; Steinberg, P.; Stelzer, B.; Stelzer, H. J.; Stelzer-Chilton, O.; Stenzel, H.; Stewart, G. A.; Stockton, M. C.; Stoebe, M.; Stoicea, G.; Stolte, P.; Stonjek, S.; Stradling, A. R.; Straessner, A.; Stramaglia, M. E.; Strandberg, J.; Strandberg, S.; Strauss, M.; Strizenec, P.; Ströhmer, R.; Strom, D. M.; Stroynowski, R.; Strubig, A.; Stucci, S. A.; Stugu, B.; Styles, N. A.; Su, D.; Su, J.; Suchek, S.; Sugaya, Y.; Suk, M.; Sulin, V. V.; Sultan, DMS; Sultansoy, S.; Sumida, T.; Sun, S.; Sun, X.; Suruliz, K.; Suster, C. J. E.; Sutton, M. R.; Suzuki, S.; Svatos, M.; Swiatlowski, M.; Swift, S. P.; Sykora, I.; Sykora, T.; Ta, D.; Tackmann, K.; Taenzer, J.; Taffard, A.; Tafirout, R.; Taiblum, N.; Takai, H.; Takashima, R.; Takasugi, E. H.; Takeshita, T.; Takubo, Y.; Talby, M.; Talyshev, A. A.; Tanaka, J.; Tanaka, M.; Tanaka, R.; Tanaka, S.; Tanioka, R.; Tannenwald, B. B.; Tapia Araya, S.; Tapprogge, S.; Tarem, S.; Tartarelli, G. F.; Tas, P.; Tasevsky, M.; Tashiro, T.; Tassi, E.; Tavares Delgado, A.; Tayalati, Y.; Taylor, A. C.; Taylor, G. N.; Taylor, P. T. E.; Taylor, W.; Teixeira-Dias, P.; Temple, D.; Ten Kate, H.; Teng, P. K.; Teoh, J. J.; Tepel, F.; Terada, S.; Terashi, K.; Terron, J.; Terzo, S.; Testa, M.; Teuscher, R. J.; Theveneaux-Pelzer, T.; Thomas, J. P.; Thomas-Wilsker, J.; Thompson, P. D.; Thompson, A. S.; Thomsen, L. A.; Thomson, E.; Tibbetts, M. J.; Ticse Torres, R. E.; Tikhomirov, V. O.; Tikhonov, Yu. A.; Timoshenko, S.; Tipton, P.; Tisserant, S.; Todome, K.; Todorova-Nova, S.; Todt, S.; Tojo, J.; Tokár, S.; Tokushuku, K.; Tolley, E.; Tomlinson, L.; Tomoto, M.; Tompkins, L.; Toms, K.; Tong, B.; Tornambe, P.; Torrence, E.; Torres, H.; Torró Pastor, E.; Toth, J.; Touchard, F.; Tovey, D. R.; Treado, C. J.; Trefzger, T.; Tresoldi, F.; Tricoli, A.; Trigger, I. M.; Trincaz-Duvoid, S.; Tripiana, M. F.; Trischuk, W.; Trocmé, B.; Trofymov, A.; Troncon, C.; Trottier-McDonald, M.; Trovatelli, M.; Truong, L.; Trzebinski, M.; Trzupek, A.; Tsang, K. W.; Tseng, J. C.-L.; Tsiareshka, P. V.; Tsipolitis, G.; Tsirintanis, N.; Tsiskaridze, S.; Tsiskaridze, V.; Tskhadadze, E. G.; Tsui, K. M.; Tsukerman, I. I.; Tsulaia, V.; Tsuno, S.; Tsybychev, D.; Tu, Y.; Tudorache, A.; Tudorache, V.; Tulbure, T. T.; Tuna, A. N.; Tupputi, S. A.; Turchikhin, S.; Turgeman, D.; Turk Cakir, I.; Turra, R.; Tuts, P. M.; Ucchielli, G.; Ueda, I.; Ughetto, M.; Ukegawa, F.; Unal, G.; Undrus, A.; Unel, G.; Ungaro, F. C.; Unno, Y.; Unverdorben, C.; Urban, J.; Urquijo, P.; Urrejola, P.; Usai, G.; Usui, J.; Vacavant, L.; Vacek, V.; Vachon, B.; Vaidya, A.; Valderanis, C.; Valdes Santurio, E.; Valentinetti, S.; Valero, A.; Valéry, L.; Valkar, S.; Vallier, A.; Valls Ferrer, J. A.; Van Den Wollenberg, W.; van der Graaf, H.; van Gemmeren, P.; Van Nieuwkoop, J.; van Vulpen, I.; van Woerden, M. C.; Vanadia, M.; Vandelli, W.; Vaniachine, A.; Vankov, P.; Vardanyan, G.; Vari, R.; Varnes, E. W.; Varni, C.; Varol, T.; Varouchas, D.; Vartapetian, A.; Varvell, K. E.; Vasquez, J. G.; Vasquez, G. A.; Vazeille, F.; Vazquez Schroeder, T.; Veatch, J.; Veeraraghavan, V.; Veloce, L. M.; Veloso, F.; Veneziano, S.; Ventura, A.; Venturi, M.; Venturi, N.; Venturini, A.; Vercesi, V.; Verducci, M.; Verkerke, W.; Vermeulen, A. T.; Vermeulen, J. C.; Vetterli, M. C.; Viaux Maira, N.; Viazlo, O.; Vichou, I.; Vickey, T.; Vickey Boeriu, O. E.; Viehhauser, G. H. A.; Viel, S.; Vigani, L.; Villa, M.; Villaplana Perez, M.; Vilucchi, E.; Vincter, M. G.; Vinogradov, V. B.; Vishwakarma, A.; Vittori, C.; Vivarelli, I.; Vlachos, S.; Vogel, M.; Vokac, P.; Volpi, G.; von der Schmitt, H.; von Toerne, E.; Vorobel, V.; Vorobev, K.; Vos, M.; Voss, R.; Vossebeld, J. H.; Vranjes, N.; Vranjes Milosavljevic, M.; Vrba, V.; Vreeswijk, M.; Vuillermet, R.; Vukotic, I.; Wagner, P.; Wagner, W.; Wagner-Kuhr, J.; Wahlberg, H.; Wahrmund, S.; Wakabayashi, J.; Walder, J.; Walker, R.; Walkowiak, W.; Wallangen, V.; Wang, C.; Wang, C.; Wang, F.; Wang, H.; Wang, H.; Wang, J.; Wang, J.; Wang, Q.; Wang, R.; Wang, S. M.; Wang, T.; Wang, W.; Wang, W.; Wang, Z.; Wanotayaroj, C.; Warburton, A.; Ward, C. P.; Wardrope, D. R.; Washbrook, A.; Watkins, P. M.; Watson, A. T.; Watson, M. F.; Watts, G.; Watts, S.; Waugh, B. M.; Webb, A. F.; Webb, S.; Weber, M. S.; Weber, S. W.; Weber, S. A.; Webster, J. S.; Weidberg, A. R.; Weinert, B.; Weingarten, J.; Weirich, M.; Weiser, C.; Weits, H.; Wells, P. S.; Wenaus, T.; Wengler, T.; Wenig, S.; Wermes, N.; Werner, M. D.; Werner, P.; Wessels, M.; Whalen, K.; Whallon, N. L.; Wharton, A. M.; White, A. S.; White, A.; White, M. J.; White, R.; Whiteson, D.; Whitmore, B. W.; Wickens, F. J.; Wiedenmann, W.; Wielers, M.; Wiglesworth, C.; Wiik-Fuchs, L. A. M.; Wildauer, A.; Wilk, F.; Wilkens, H. G.; Williams, H. H.; Williams, S.; Willis, C.; Willocq, S.; Wilson, J. A.; Wingerter-Seez, I.; Winkels, E.; Winklmeier, F.; Winston, O. J.; Winter, B. T.; Wittgen, M.; Wobisch, M.; Wolf, T. M. H.; Wolff, R.; Wolter, M. W.; Wolters, H.; Wong, V. W. S.; Worm, S. D.; Wosiek, B. K.; Wotschack, J.; Wozniak, K. W.; Wu, M.; Wu, S. L.; Wu, X.; Wu, Y.; Wyatt, T. R.; Wynne, B. M.; Xella, S.; Xi, Z.; Xia, L.; Xu, D.; Xu, L.; Xu, T.; Yabsley, B.; Yacoob, S.; Yamaguchi, D.; Yamaguchi, Y.; Yamamoto, A.; Yamamoto, S.; Yamanaka, T.; Yamatani, M.; Yamauchi, K.; Yamazaki, Y.; Yan, Z.; Yang, H.; Yang, H.; Yang, Y.; Yang, Z.; Yao, W.-M.; Yap, Y. C.; Yasu, Y.; Yatsenko, E.; Yau Wong, K. H.; Ye, J.; Ye, S.; Yeletskikh, I.; Yigitbasi, E.; Yildirim, E.; Yorita, K.; Yoshihara, K.; Young, C.; Young, C. J. S.; Yu, J.; Yu, J.; Yuen, S. P. Y.; Yusuff, I.; Zabinski, B.; Zacharis, G.; Zaidan, R.; Zaitsev, A. M.; Zakharchuk, N.; Zalieckas, J.; Zaman, A.; Zambito, S.; Zanzi, D.; Zeitnitz, C.; Zemaityte, G.; Zemla, A.; Zeng, J. C.; Zeng, Q.; Zenin, O.; Ženiš, T.; Zerwas, D.; Zhang, D.; Zhang, F.; Zhang, G.; Zhang, H.; Zhang, J.; Zhang, L.; Zhang, L.; Zhang, M.; Zhang, P.; Zhang, R.; Zhang, R.; Zhang, X.; Zhang, Y.; Zhang, Z.; Zhao, X.; Zhao, Y.; Zhao, Z.; Zhemchugov, A.; Zhou, B.; Zhou, C.; Zhou, L.; Zhou, M.; Zhou, M.; Zhou, N.; Zhu, C. G.; Zhu, H.; Zhu, J.; Zhu, Y.; Zhuang, X.; Zhukov, K.; Zibell, A.; Zieminska, D.; Zimine, N. I.; Zimmermann, C.; Zimmermann, S.; Zinonos, Z.; Zinser, M.; Ziolkowski, M.; Živković, L.; Zobernig, G.; Zoccoli, A.; Zou, R.; zur Nedden, M.; Zwalinski, L.

2017-12-01

Measurements of transverse energy-energy correlations and their associated asymmetries in multi-jet events using the ATLAS detector at the LHC are presented. The data used correspond to √{s} = 8 TeV proton-proton collisions with an integrated luminosity of 20.2 fb^{-1}. The results are presented in bins of the scalar sum of the transverse momenta of the two leading jets, unfolded to the particle level and compared to the predictions from Monte Carlo simulations. A comparison with next-to-leading-order perturbative QCD is also performed, showing excellent agreement within the uncertainties. From this comparison, the value of the strong coupling constant is extracted for different energy regimes, thus testing the running of α s(μ ) predicted in QCD up to scales over 1 TeV. A global fit to the transverse energy-energy correlation distributions yields α s(m_Z) = 0.1162 ± 0.0011 (exp.) ^{+0.0084}_{-0.0070} (theo.) , while a global fit to the asymmetry distributions yields a value of α s(m_Z) = 0.1196 ± 0.0013 (exp.) ^{+0.0075}_{-0.0045} (theo.).

Hyperspherical close-coupling calculations for charge-transfer cross sections in He2++H(1s) collisions at low energies

NASA Astrophysics Data System (ADS)

Liu, Chien-Nan; Le, Anh-Thu; Morishita, Toru; Esry, B. D.; Lin, C. D.

2003-05-01

A theory for ion-atom collisions at low energies based on the hyperspherical close-coupling (HSCC) method is presented. In hyperspherical coordinates the wave function is expanded in analogy to the Born-Oppenheimer approximation where the adiabatic channel functions are calculated with B-spline basis functions while the coupled hyperradial equations are solved by a combination of R-matrix propagation and the slow/smooth variable discretization method. The HSCC method is applied to calculate charge-transfer cross sections for He2++H(1s)→He+(n=2)+H+ reactions at center-of-mass energies from 10 eV to 4 keV. The results are shown to be in general good agreement with calculations based on the molecular orbital (MO) expansion method where electron translation factors (ETF’s) or switching functions have been incorporated in each MO. However, discrepancies were found at very low energies. It is shown that the HSCC method can be used to study low-energy ion-atom collisions without the need to introduce the ad hoc ETF’s, and the results are free from ambiguities associated with the traditional MO expansion approach.

The Dilemmas of Energy: Essential energy services and potentially fatal risks

NASA Astrophysics Data System (ADS)

Perkins, J. H.

2018-01-01

During their evolution, humans have made three energy transitions, each marked by the adoption of new ways of procuring energy with attendant changes in lifestyle. Modern civilization arose in the Third Energy Transition, and its major sources of energy come from coal, oil, gas, uranium, and hydropower. Unfortunately, despite its incalculable benefits, the Third Transition can’t provide sustainable energy services for the indefinite future. Climate change is the most serious problem. Criteria and standards for each of the currently available, nine primary energy sources indicate the potential feasibility of replacing most or all uses of coal, oil, gas, and uranium with hydropower, solar, wind, biomass, and geothermal. This is the Fourth Energy Transition, promotion of which is strongly supported by considerations of sustainability.

The potential energy landscape contribution to the dynamic heat capacity

NASA Astrophysics Data System (ADS)

Brown, Jonathan R.; McCoy, John D.

2011-05-01

The dynamic heat capacity of a simple polymeric, model glassformer was computed using molecular dynamics simulations by sinusoidally driving the temperature and recording the resultant energy. The underlying potential energy landscape of the system was probed by taking a time series of particle positions and quenching them. The resulting dynamic heat capacity demonstrates that the long time relaxation is the direct result of dynamics resulting from the potential energy landscape. Moreover, the equilibrium (low frequency) portion of the potential energy landscape contribution to the heat capacity is found to increase rapidly at low temperatures and at high packing fractions. This increase in the heat capacity is explained by a statistical mechanical model based on the distribution of minima in the potential energy landscape.

International Energy: Subject Thesaurus. Revision 1

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

Not Available

The International Energy Agency: Subject Thesaurus contains the standard vocabulary of indexing terms (descriptors) developed and structured to build and maintain energy information databases. Involved in this cooperative task are (1) the technical staff of the USDOE Office of Scientific and Technical Information (OSTI) in cooperation with the member countries of the International Energy Agency`s Energy Technology Data Exchange (ETDE) and (2) the International Atomic Energy Agency`s International Nuclear Information System (INIS) staff representing the more than 100 countries and organizations that record and index information for the international nuclear information community. ETDE member countries are also members of INIS.more » Nuclear information prepared for INIS by ETDE member countries is included in the ETDE Energy Database, which contains the online equivalent of the printed INIS Atomindex. Indexing terminology is therefore cooperatively standardized for use in both information systems. This structured vocabulary reflects thscope of international energy research, development, and technological programs. The terminology of this thesaurus aids in subject searching on commercial systems, such as ``Energy Science & Technology`` by DIALOG Information Services, ``Energy`` by STN International and the ``ETDE Energy Database`` by SilverPlatter. It is also the thesaurus for the Integrated Technical Information System (ITIS) online databases of the US Department of Energy.« less

Energy Savings Potential and Research, Development, & Demonstration Opportunities for Commercial Building Heating, Ventilation, and Air Conditioning Systems

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

none,

2011-09-01

This report covers an assessment of 182 different heating, ventilation, and air-conditioning (HVAC) technologies for U.S. commercial buildings to identify and provide analysis on 17 priority technology options in various stages of development. The analyses include an estimation of technical energy-savings potential, description of technical maturity, description of non-energy benefits, description of current barriers for market adoption, and description of the technology’s applicability to different building or HVAC equipment types. From these technology descriptions, are suggestions for potential research, development and demonstration (RD&D) initiatives that would support further development of the priority technology options.

Energy and emissions saving potential of additive manufacturing: the case of lightweight aircraft components

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

Huang, Runze; Riddle, Matthew; Graziano, Diane

Additive manufacturing (AM) holds great potential for improving materials efficiency, reducing life-cycle impacts, and enabling greater engineering functionality compared to conventional manufacturing (CM), and AM has been increasingly adopted by aircraft component manufacturers for lightweight, cost-effective designs. This study estimates the net changes in life-cycle primary energy and greenhouse gas emissions associated with AM technologies for lightweight metallic aircraft components through the year 2050, to shed light on the environmental benefits of a shift from CM to AM processes in the U.S. aircraft industry. A systems modeling framework is presented, with integrates engineering criteria, life-cycle environmental data, aircraft fleet stockmore » and fuel use models under different AM adoption scenarios. Estimated fleet-wide life-cycle primary energy savings at most reach 70-173 million GJ/year in 2050, with cumulative savings of 1.2–2.8 billion GJ. Associated cumulative GHG emission reductions were estimated at 92.1–215.0 million metric tons. In addition, thousands of tons of aluminum, titanium and nickel alloys could be potentially saved per year in 2050. The results indicate a significant role of AM technologies in helping society meet its long-term energy use and GHG emissions reduction goals, and highlight barriers and opportunities for AM adoption for the aircraft industry.« less

Structure and binding energy of the H2S dimer at the CCSD(T) complete basis set limit

NASA Astrophysics Data System (ADS)

Lemke, Kono H.

2017-06-01

This study presents results for the binding energy and geometry of the H2S dimer which have been computed using Møller-Plesset perturbation theory (MP2, MP4) and coupled cluster (CCSD, CCSD(T)) calculations with basis sets up to aug-cc-pV5Z. Estimates of De, EZPE, Do, and dimer geometry have been obtained at each level of theory by taking advantage of the systematic convergence behavior toward the complete basis set (CBS) limit. The CBS limit binding energy values of De are 1.91 (MP2), 1.75 (MP4), 1.41 (CCSD), and 1.69 kcal/mol (CCSD[T]). The most accurate values for the equilibrium S-S distance rSS (without counterpoise correction) are 4.080 (MP2/aug-cc-pV5Z), 4.131 (MP4/aug-cc-pVQZ), 4.225 (CCSD/aug-cc-pVQZ), and 4.146 Å (CCSD(T)/aug-cc-pVQZ). This study also evaluates the effect of counterpoise correction on the H2S dimer geometry and binding energy. As regards the structure of (H2S)2, MPn, CCSD, and CCSD(T) level values of rSS, obtained by performing geometry optimizations on the counterpoise-corrected potential energy surface, converge systematically to CBS limit values of 4.099 (MP2), 4.146 (MP4), 4.233 (CCSD), and 4.167 Å (CCSD(T)). The corresponding CBS limit values of the equilibrium binding energy De are 1.88 (MP2), 1.76 (MP4), 1.41 (CCSD), and 1.69 kcal/mol (CCSD(T)), the latter in excellent agreement with the measured binding energy value of 1.68 ± 0.02 kcal/mol reported by Ciaffoni et al. [Appl. Phys. B 92, 627 (2008)]. Combining CBS electronic binding energies De with EZPE predicted by CCSD(T) vibrational second-order perturbation theory calculations yields Do = 1.08 kcal/mol, which is around 0.6 kcal/mol smaller than the measured value of 1.7 ± 0.3 kcal/mol. Overall, the results presented here demonstrate that the application of high level calculations, in particular CCSD(T), in combination with augmented correlation consistent basis sets provides valuable insight into the structure and energetics of the hydrogen sulfide dimer.

ARPA-E: Accelerating U.S. Energy Innovation

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

Manser, Joseph S.; Rollin, Joseph A.; Brown, Kristen E.

ARPA-E is charged with addressing the most pressing issues facing the U.S. energy sector today, as well as those projected to impact national energy security in the future. The agency’s mission is clearly elucidated in its authorizing statute:2 “To overcome long-term and high-risk technological barriers in the development of energy technologies.” The three principal thrusts of the agency’s mission are (i) reducing energy imports, (ii) reducing energy-related emissions and greenhouse gases, and (iii) improving energy efficiency in all sectors of the U.S. economy. Meeting these ambitious challenges requires focused, interdisciplinary effort on a national scale that will help ensure themore » United States maintains a competitive lead in developing and deploying advanced energy technologies.« less

Pressure-strain energy redistribution in compressible turbulence: return-to-isotropy versus kinetic-potential energy equipartition

NASA Astrophysics Data System (ADS)

Lee, Kurnchul; Venugopal, Vishnu; Girimaji, Sharath S.

2016-08-01

Return-to-isotropy and kinetic-potential energy equipartition are two fundamental pressure-moderated energy redistributive processes in anisotropic compressible turbulence. Pressure-strain correlation tensor redistributes energy among various Reynolds stress components and pressure-dilatation is responsible for energy reallocation between dilatational kinetic and potential energies. The competition and interplay between these pressure-based processes are investigated in this study. Direct numerical simulations (DNS) of low turbulent Mach number dilatational turbulence are performed employing the hybrid thermal Lattice Boltzman method (HTLBM). It is found that a tendency towards equipartition precedes proclivity for isotropization. An evolution towards equipartition has a collateral but critical effect on return-to-isotropy. The preferential transfer of energy from strong (rather than weak) Reynolds stress components to potential energy accelerates the isotropization of dilatational fluctuations. Understanding of these pressure-based redistributive processes is critical for developing insight into the character of compressible turbulence.

Toward spectroscopically accurate global ab initio potential energy surface for the acetylene-vinylidene isomerization

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

Han, Huixian; School of Physics, Northwest University, Xi’an, Shaanxi 710069; Li, Anyang

2014-12-28

A new full-dimensional global potential energy surface (PES) for the acetylene-vinylidene isomerization on the ground (S{sub 0}) electronic state has been constructed by fitting ∼37 000 high-level ab initio points using the permutation invariant polynomial-neural network method with a root mean square error of 9.54 cm{sup −1}. The geometries and harmonic vibrational frequencies of acetylene, vinylidene, and all other stationary points (two distinct transition states and one secondary minimum in between) have been determined on this PES. Furthermore, acetylene vibrational energy levels have been calculated using the Lanczos algorithm with an exact (J = 0) Hamiltonian. The vibrational energies upmore » to 12 700 cm{sup −1} above the zero-point energy are in excellent agreement with the experimentally derived effective Hamiltonians, suggesting that the PES is approaching spectroscopic accuracy. In addition, analyses of the wavefunctions confirm the experimentally observed emergence of the local bending and counter-rotational modes in the highly excited bending vibrational states. The reproduction of the experimentally derived effective Hamiltonians for highly excited bending states signals the coming of age for the ab initio based PES, which can now be trusted for studying the isomerization reaction.« less

A high-conduction Ge substituted Li3AsS4 solid electrolyte with exceptional low activation energy

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

Sahu, Gayatri; Rangasamy, Ezhiylmurugan; Li, Juchuan

2014-04-16

In lithium-ion conducting solid electrolytes the potential to enable high-energy-density secondary batteries and offer distinctive safety features as an advantage over traditional liquid electrolytes is shown. Achieving the combination of high ionic conductivity, low activation energy, and outstanding electrochemical stability in crystalline solid electrolytes is a challenge for the synthesis of novel solid electrolytes. We report an exceptionally low activation energy (Ea) and high room temperature superionic conductivity via facile aliovalent substitution of Li 3AsS 4 by Ge, which increased the conductivity by two orders of magnitude as compared to the parent compound. The composition Li 3.334Ge 0.334As 0.666S 4more » has a high ionic conductivity of 1.12 mScm -1 at 27°C. Local Li + hopping in this material is accompanied by distinctive low activation energy Ea of 0.17 eV being the lowest of Li + solid conductors. Finally, our study demonstrates the efficacy of surface passivation of solid electrolyte to achieve compatibility with metallic lithium electrodes.« less

First-principle interaction potentials for metastable He(3S) and Ne(3P) with closed-shell molecules: Application to Penning-ionizing systems

NASA Astrophysics Data System (ADS)

Hapka, Michał; Chałasiński, Grzegorz; Kłos, Jacek; Żuchowski, Piotr S.

2013-07-01

We present new interaction potential curves, calculated from first-principles, for the He(3S, 1s12s1)⋯H2 and He(3S)⋯Ar systems, relevant in recent Penning ionization experiments of Henson et al. [Science 338, 234 (2012), 10.1126/science.1229141]. Two different approaches were applied: supermolecular using coupled cluster (CC) theory and perturbational within symmetry-adapted perturbation theory (SAPT). Both methods gave consistent results, and the potentials were used to study the elastic scattering and determine the positions of shape resonances for low kinetic energy (up to 1 meV). We found a good agreement with the experiment. In addition, we investigated two other dimers composed of metastable Ne (3P, 2p53s1) and ground state He and Ar atoms. For the Ne(3P)⋯He system, a good agreement between CC and SAPT approaches was obtained. The Ne(3P)⋯Ar dimer was described only with SAPT, as CC gave divergent results. Ne* systems exhibit extremely small electronic orbital angular momentum anisotropy of the potentials. We attribute this effect to screening of an open 2p shell by a singly occupied 3s shell.

U.S. Wind Energy Manufacturing and Supply Chain: A Competitiveness Analysis

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

Fullenkamp, Patrick H; Holody, Diane S

The goal of the project was to develop a greater understanding of the key factors determining wind energy component manufacturing costs and pricing on a global basis in order to enhance the competitiveness of U.S. manufacturers, and to reduce installed systems cost. Multiple stakeholders including DOE, turbine OEMs, and large component manufactures will all benefit by better understanding the factors determining domestic competitiveness in the emerging offshore and next generation land-based wind industries. Major objectives of this project were to: 1. Carry out global cost and process comparisons for 5MW jacket foundations, blades, towers, and permanent magnet generators; 2. Assessmore » U.S. manufacturers’ competitiveness and potential for cost reduction; 3. Facilitate informed decision-making on investments in U.S. manufacturing; 4. Develop an industry scorecard representing the readiness of the U.S. manufacturers’ to produce components for the next generations of wind turbines, nominally 3MW land-based and 5MW offshore; 5. Disseminate results through the GLWN Wind Supply Chain GIS Map, a free website that is the most comprehensive public database of U.S. wind energy suppliers; 6. Identify areas and develop recommendations to DOE on potential R&D areas to target for increasing domestic manufacturing competitiveness, per DOE’s Clean Energy Manufacturing Initiative (CEMI). Lists of Deliverables 1. Cost Breakdown Competitive Analyses of four product categories: tower, jacket foundation, blade, and permanent magnet (PM) generator. The cost breakdown for each component includes a complete Bill of Materials with net weights; general process steps for labor; and burden adjusted by each manufacturer for their process categories of SGA (sales general and administrative), engineering, logistics cost to a common U.S. port, and profit. 2. Value Stream Map Competitiveness Analysis: A tool that illustrates both information and material flow from the point of getting a

Estimation of the Binding Free Energy of AC1NX476 to HIV-1 Protease Wild Type and Mutations Using Free Energy Perturbation Method.

PubMed

Ngo, Son Tung; Mai, Binh Khanh; Hiep, Dinh Minh; Li, Mai Suan

2015-10-01

The binding mechanism of AC1NX476 to HIV-1 protease wild type and mutations was studied by the docking and molecular dynamics simulations. The binding free energy was calculated using the double-annihilation binding free energy method. It is shown that the binding affinity of AC1NX476 to wild type is higher than not only ritonavir but also darunavir, making AC1NX476 become attractive candidate for HIV treatment. Our theoretical results are in excellent agreement with the experimental data as the correlation coefficient between calculated and experimentally measured binding free energies R = 0.993. Residues Asp25-A, Asp29-A, Asp30-A, Ile47-A, Gly48-A, and Val50-A from chain A, and Asp25-B from chain B play a crucial role in the ligand binding. The mutations were found to reduce the receptor-ligand interaction by widening the binding cavity, and the binding propensity is mainly driven by the van der Waals interaction. Our finding may be useful for designing potential drugs to combat with HIV. © 2015 John Wiley & Sons A/S.

Expansion Potentials for Exact Far-from-Equilibrium Spreading of Particles and Energy

DOE PAGES

Vasseur, Romain; Karrasch, Christoph; Moore, Joel E.

2015-12-01

We report that the rates at which energy and particle densities move to equalize arbitrarily large temperature and chemical potential differences in an isolated quantum system have an emergent thermodynamical description whenever energy or particle current commutes with the Hamiltonian. Concrete examples include the energy current in the 1D spinless fermion model with nearest-neighbor interactions (XXZ spin chain), energy current in Lorentz-invariant theories or particle current in interacting Bose gases in arbitrary dimension. Even far from equilibrium, these rates are controlled by state functions, which we call "expansion potentials", expressed as integrals of equilibrium Drude weights. This relation between nonequilibriummore » quantities and linear response implies non-equilibrium Maxwell relations for the Drude weights. Lastly, we verify our results via DMRG calculations for the XXZ chain.« less

S -matrix calculations of energy levels of sodiumlike ions

DOE PAGES

Sapirstein, J.; Cheng, K. T.

2015-06-24

A recent S -matrix-based QED calculation of energy levels of the lithium isoelectronic sequence is extended to the general case of a valence electron outside an arbitrary filled core. Emphasis is placed on modifications of the lithiumlike formulas required because more than one core state is present, and an unusual feature of the two-photon exchange contribution involving autoionizing states is discussed. Here, the method is illustrated with a calculation of the energy levels of sodiumlike ions, with results for 3s 1/2, 3p 1/2, and 3p 3/2 energies tabulated for the range Z = 30 – 100 . Comparison with experimentmore » and other calculations is given, and prospects for extension of the method to ions with more complex electronic structure discussed.« less

Redox Bulk Energy Storage System Study, Volume 1

NASA Technical Reports Server (NTRS)

Ciprios, G.; Erskine, W., Jr.; Grimes, P. G.

1977-01-01

Opportunities were found for electrochemical energy storage devices in the U.S. electric utility industry. Application requirements for these devices were defined, including techno-economic factors. A new device, the Redox storage battery was analyzed. The Redox battery features a decoupling of energy storage and power conversion functions. General computer methods were developed to simulate Redox system operations. These studies showed that the Redox system is potentially attractive if certain performance goals can be achieved. Pathways for reducing the cost of the Redox system were identified.

Potential of energy production from conserved forages

USDA-ARS?s Scientific Manuscript database

Forages have a potential role in meeting the demand for energy. Perennial forages are attractive for various reasons. One, both the monetary and energy cost of planting is spread over many years. Two, we already have the equipment for harvesting, storing and transporting this source of biomass. Thre...

Gas-phase Raman spectra and the potential energy function for the internal rotation of 1,3-butadiene and its isotopologues.

PubMed

Boopalachandran, Praveenkumar; Craig, Norman; Groner, Peter; Laane, Jaan

2011-08-18

The gas-phase Raman spectra of 1,3-butadiene and its 2,3-d(2), 1,1,4,4-d(4), and -d(6) isotopologues have been recorded with high sensitivity in the region below 350 cm(-1) in order to investigate the internal rotation (torsional) vibration. Based on more accurate structural information, the internal rotor constants F(n) were calculated as a function of rotation angle (ϕ). The data for all the isotopologues were then fit using a one-dimensional potential energy function of the form V = (1)/(2)∑V(n)(1 - cos ϕ). Initial V(n) values were based on those generated from theoretical calculations. The agreement between observed and calculated frequencies is very good, although bands not taken into account were present in the spectra. The energy difference between the trans and gauche forms was determined to be about 1030 cm(-1) (2.94 kcal/mol), and the barrier between the two equivalent gauche forms was determined to be about 180 cm(-1) (0.51 kcal/mol), which agrees well with high-level ab initio calculations. An alternative set of assignments also fits the data quite well for all of the isotopologues. For this model, the energy difference between the trans and gauche forms is about 1080 cm(-1) (3.09 kcal/mol), and the barrier between gauche forms is about 405 cm(-1) (1.16 kcal/mol). © 2011 American Chemical Society

Impact of Clean Energy R&D on the U.S. Power Sector

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

Donohoo-Vallett, Paul; Mai, Trieu; Mowers, Matthew

The U.S. government, along with other governments, private corporations and organizations, invests significantly in research, development, demonstration and deployment (RDD&D) activities in clean energy technologies, in part to achieve the goal of a clean, secure, and reliable energy system. While specific outcomes and breakthroughs resulting from RDD&D investment are unpredictable, it can be instructive to explore the potential impacts of clean energy RDD&D activities in the power sector and to place those impacts in the context of current and anticipated market trends. This analysis builds on and leverages analysis by the U.S. Department of Energy (DOE) titled “Energy CO 2more » Emissions Impacts of Clean Energy Technology Innovation and Policy” (DOE 2017). Similar to DOE (2017), we explore how additional improvements in cost and performance of clean energy technologies could impact the future U.S. energy system; however, unlike the economy-wide modeling used in DOE (2017) our analysis is focused solely on the electricity sector and applies a different and more highly spatially-resolved electric sector model. More specifically, we apply a scenario analysis approach to explore how assumed further advancements in clean electricity technologies would impact power sector generation mix, electricity system costs, and power sector carbon dioxide (CO 2) emissions.« less

Energy Impacts of Wide Band Gap Semiconductors in U.S. Light-Duty Electric Vehicle Fleet

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

Warren, Joshua A.; Riddle, Matthew E.; Graziano, Diane J.

2015-08-12

Silicon carbide and gallium nitride, two leading wide band gap semiconductors with significant potential in electric vehicle power electronics, are examined from a life cycle energy perspective and compared with incumbent silicon in U.S. light-duty electric vehicle fleet. Cradle-to-gate, silicon carbide is estimated to require more than twice the energy as silicon. However, the magnitude of vehicle use phase fuel savings potential is comparatively several orders of magnitude higher than the marginal increase in cradle-to-gate energy. Gallium nitride cradle-to-gate energy requirements are estimated to be similar to silicon, with use phase savings potential similar to or exceeding that of siliconmore » carbide. Potential energy reductions in the United States vehicle fleet are examined through several scenarios that consider the market adoption potential of electric vehicles themselves, as well as the market adoption potential of wide band gap semiconductors in electric vehicles. For the 2015–2050 time frame, cumulative energy savings associated with the deployment of wide band gap semiconductors are estimated to range from 2–20 billion GJ depending on market adoption dynamics.« less

Potential Link between the Sphingosine-1-Phosphate (S1P) System and Defective Alveolar Macrophage Phagocytic Function in Chronic Obstructive Pulmonary Disease (COPD)

PubMed Central

Barnawi, Jameel; Tran, Hai; Jersmann, Hubertus; Pitson, Stuart; Roscioli, Eugene; Hodge, Greg; Meech, Robyn; Haberberger, Rainer; Hodge, Sandra

2015-01-01

patient-derived macrophages. Antagonising SIPR5 significantly improved phagocytosis. Conclusion Our results suggest a potential link between the S1P signalling system and defective macrophage phagocytic function in COPD and advise therapeutic targets. PMID:26485657

Statistical-QoS Guaranteed Energy Efficiency Optimization for Energy Harvesting Wireless Sensor Networks.

PubMed

Gao, Ya; Cheng, Wenchi; Zhang, Hailin

2017-08-23

Energy harvesting, which offers a never-ending energy supply, has emerged as a prominent technology to prolong the lifetime and reduce costs for the battery-powered wireless sensor networks. However, how to improve the energy efficiency while guaranteeing the quality of service (QoS) for energy harvesting based wireless sensor networks is still an open problem. In this paper, we develop statistical delay-bounded QoS-driven power control policies to maximize the effective energy efficiency (EEE), which is defined as the spectrum efficiency under given specified QoS constraints per unit harvested energy, for energy harvesting based wireless sensor networks. For the battery-infinite wireless sensor networks, our developed QoS-driven power control policy converges to the Energy harvesting Water Filling (E-WF) scheme and the Energy harvesting Channel Inversion (E-CI) scheme under the very loose and stringent QoS constraints, respectively. For the battery-finite wireless sensor networks, our developed QoS-driven power control policy becomes the Truncated energy harvesting Water Filling (T-WF) scheme and the Truncated energy harvesting Channel Inversion (T-CI) scheme under the very loose and stringent QoS constraints, respectively. Furthermore, we evaluate the outage probabilities to theoretically analyze the performance of our developed QoS-driven power control policies. The obtained numerical results validate our analysis and show that our developed optimal power control policies can optimize the EEE over energy harvesting based wireless sensor networks.

Statistical-QoS Guaranteed Energy Efficiency Optimization for Energy Harvesting Wireless Sensor Networks

PubMed Central

Cheng, Wenchi; Zhang, Hailin

2017-01-01

Energy harvesting, which offers a never-ending energy supply, has emerged as a prominent technology to prolong the lifetime and reduce costs for the battery-powered wireless sensor networks. However, how to improve the energy efficiency while guaranteeing the quality of service (QoS) for energy harvesting based wireless sensor networks is still an open problem. In this paper, we develop statistical delay-bounded QoS-driven power control policies to maximize the effective energy efficiency (EEE), which is defined as the spectrum efficiency under given specified QoS constraints per unit harvested energy, for energy harvesting based wireless sensor networks. For the battery-infinite wireless sensor networks, our developed QoS-driven power control policy converges to the Energy harvesting Water Filling (E-WF) scheme and the Energy harvesting Channel Inversion (E-CI) scheme under the very loose and stringent QoS constraints, respectively. For the battery-finite wireless sensor networks, our developed QoS-driven power control policy becomes the Truncated energy harvesting Water Filling (T-WF) scheme and the Truncated energy harvesting Channel Inversion (T-CI) scheme under the very loose and stringent QoS constraints, respectively. Furthermore, we evaluate the outage probabilities to theoretically analyze the performance of our developed QoS-driven power control policies. The obtained numerical results validate our analysis and show that our developed optimal power control policies can optimize the EEE over energy harvesting based wireless sensor networks. PMID:28832509

Accurate study on the quantum dynamics of the He + HeH(+) (X1Σ+) reaction on a new ab initio potential energy surface for the lowest 1(1)A' electronic singlet state.

PubMed

Xu, Wenwu; Zhang, Peiyu

2013-02-21

A time-dependent quantum wave packet method is used to investigate the dynamics of the He + HeH(+)(X(1)Σ(+)) reaction based on a new potential energy surface [Liang et al., J. Chem. Phys.2012, 136, 094307]. The coupled channel (CC) and centrifugal-sudden (CS) reaction probabilities as well as the total integral cross sections are calculated. A comparison of the results with and without Coriolis coupling revealed that the number of K states N(K) (K is the projection of the total angular momentum J on the body-fixed z axis) significantly influences the reaction threshold. The effective potential energy profiles of each N(K) for the He + HeH(+) reaction in a collinear geometry indicate that the barrier height gradually decreased with increased N(K). The calculated time evolution of CC and CS probability density distribution over the collision energy of 0.27-0.36 eV at total angular momentum J = 50 clearly suggests a lower reaction threshold of CC probabilities. The CC cross sections are larger than the CS results within the entire energy range, demonstrating that the Coriolis coupling effect can effectively promote the He + HeH(+) reaction.

Wind energy potential assessment of Cameroon's coastal regions for the installation of an onshore wind farm.

PubMed

Arreyndip, Nkongho Ayuketang; Joseph, Ebobenow; David, Afungchui

2016-11-01

For the future installation of a wind farm in Cameroon, the wind energy potentials of three of Cameroon's coastal cities (Kribi, Douala and Limbe) are assessed using NASA average monthly wind data for 31 years (1983-2013) and compared through Weibull statistics. The Weibull parameters are estimated by the method of maximum likelihood, the mean power densities, the maximum energy carrying wind speeds and the most probable wind speeds are also calculated and compared over these three cities. Finally, the cumulative wind speed distributions over the wet and dry seasons are also analyzed. The results show that the shape and scale parameters for Kribi, Douala and Limbe are 2.9 and 2.8, 3.9 and 1.8 and 3.08 and 2.58, respectively. The mean power densities through Weibull analysis for Kribi, Douala and Limbe are 33.7 W/m2, 8.0 W/m2 and 25.42 W/m2, respectively. Kribi's most probable wind speed and maximum energy carrying wind speed was found to be 2.42 m/s and 3.35 m/s, 2.27 m/s and 3.03 m/s for Limbe and 1.67 m/s and 2.0 m/s for Douala, respectively. Analysis of the wind speed and hence power distribution over the wet and dry seasons shows that in the wet season, August is the windiest month for Douala and Limbe while September is the windiest month for Kribi while in the dry season, March is the windiest month for Douala and Limbe while February is the windiest month for Kribi. In terms of mean power density, most probable wind speed and wind speed carrying maximum energy, Kribi shows to be the best site for the installation of a wind farm. Generally, the wind speeds at all three locations seem quite low, average wind speeds of all the three studied locations fall below 4.0m/s which is far below the cut-in wind speed of many modern wind turbines. However we recommend the use of low cut-in speed wind turbines like the Savonius for stand alone low energy needs.

Sell Energy-Efficient Products: A Guide to Selling to the U.S. Government

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

None

The Federal Government spends $500 billion on goods and services every year and $20 billion on energy. For many product types, the U.S. Government is the single largest purchaser. Manufacturers and vendors can increase their sales potential by helping Federal purchasers meet their energy-efficient product purchasing requirements. This guide explains how to sell products to the government.

Saving Energy in U.S. Transportation

DOT National Transportation Integrated Search

1994-07-01

This report was prepared as the final part of an Office of Technology Assessment (OTA) assessment on "U.S. Energy Efficiency: Past Trends and Future Opportunities." This report focuses on energy use in U.S. transportation, which accounts for over 60 ...

Consequences of converting graded to action potentials upon neural information coding and energy efficiency.

PubMed

Sengupta, Biswa; Laughlin, Simon Barry; Niven, Jeremy Edward

2014-01-01

Information is encoded in neural circuits using both graded and action potentials, converting between them within single neurons and successive processing layers. This conversion is accompanied by information loss and a drop in energy efficiency. We investigate the biophysical causes of this loss of information and efficiency by comparing spiking neuron models, containing stochastic voltage-gated Na(+) and K(+) channels, with generator potential and graded potential models lacking voltage-gated Na(+) channels. We identify three causes of information loss in the generator potential that are the by-product of action potential generation: (1) the voltage-gated Na(+) channels necessary for action potential generation increase intrinsic noise and (2) introduce non-linearities, and (3) the finite duration of the action potential creates a 'footprint' in the generator potential that obscures incoming signals. These three processes reduce information rates by ∼50% in generator potentials, to ∼3 times that of spike trains. Both generator potentials and graded potentials consume almost an order of magnitude less energy per second than spike trains. Because of the lower information rates of generator potentials they are substantially less energy efficient than graded potentials. However, both are an order of magnitude more efficient than spike trains due to the higher energy costs and low information content of spikes, emphasizing that there is a two-fold cost of converting analogue to digital; information loss and cost inflation.

China’s R&D for Energy Efficient Buildings: Insights for U.S. Cooperation with China

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

Yu, Sha; Evans, Meredydd

2010-04-01

This report includes an evaluation of China’s current activities and future direction in building energy efficiency R&D and its relevance to DOE’s R&D activities under the Building Technologies Program in the Office of Energy Efficiency and Renewable Energy. The researchers reviewed the major R&D programs in China including the so-called 973 Program, the 863 Program, and the Key Technology R&D Program1 as well as the research activities of major research institutes. The report also reviewed several relevant documents of the Chinese government, websites (including the International Energy Agency and national and local governments in China), newsletters, and financial information listedmore » in the program documents and websites.« less

A Meta-Analysis of Single-Family Deep Energy Retrofit Performance in the U.S.

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

Less, Brennan; Walker, Iain

2014-03-01

The current state of Deep Energy Retrofit (DER) performance in the U.S. has been assessed in 116 homes in the United States (US), using actual and simulated data gathered from the available domestic literature. Substantial airtightness reductions averaging 63% (n=48) were reported (two- to three-times more than in conventional retrofits), with average post-retrofit airtightness of 4.7 Air Changes per House at 50 Pascal (ACH50) (n=94). Yet, mechanical ventilation was not installed consistently. In order to avoid indoor air quality (IAQ) issues, all future DERs should comply with ASHRAE 62.2-2013 requirements or equivalent. Projects generally achieved good energy results, with averagemore » annual net-site and net-source energy savings of 47%±20% and 45%±24% (n=57 and n=35), respectively, and carbon emission reductions of 47%±22% (n=23). Net-energy reductions did not vary reliably with house age, airtightness, or reported project costs, but pre-retrofit energy usage was correlated with total reductions (MMBtu). Annual energy costs were reduced $1,283±$804 (n=31), from a pre-retrofit average of $2,738±$1,065 to $1,588±$561 post-retrofit (n=25 and n=39). The average reported incremental project cost was $40,420±$30,358 (n=59). When financed on a 30-year term, the median change in net-homeownership cost was only $1.00 per month, ranging from $149 in savings to an increase of $212 (mean=$15.67±$87.74; n=28), and almost half of the projects resulted in reductions in net-cost. The economic value of a DER may be much greater than is suggested by these net-costs, because DERs entail substantial non-energy benefits (NEBs), and retrofit measures may add value to a home at resale similarly to general remodeling, PV panel installation, and green/energy efficient home labels. These results provide estimates of the potential of DERs to address energy use in existing homes across climate zones that can be used in future estimates of the technical potential to reduce

Developing estimates of potential demand for renewable wood energy products in Alaska

Treesearch

Allen M. Brackley; Valerie A. Barber; Cassie Pinkel

2010-01-01

Goal three of the current U.S. Department of Agriculture, Forest Service strategy for improving the use of woody biomass is to help develop and expand markets for woody biomass products. This report is concerned with the existing volumes of renewable wood energy products (RWEP) that are currently used in Alaska and the potential demand for RWEP for residential and...

Wind energy potential assessment to estimate performance of selected wind turbine in northern coastal region of Semarang-Indonesia

NASA Astrophysics Data System (ADS)

Premono, B. S.; Tjahjana, D. D. D. P.; Hadi, S.

2017-01-01

The aims of this paper are to investigate the characteristic of the wind speed and wind energy potential in the northern coastal region of Semarang, Central Java, Indonesia. The wind data was gained from Meteorological Station of Semarang, with ten-min average time series wind data for one year period, at the height of 10 m. Weibull distribution has been used to determine the wind power density and wind energy density of the site. It was shown that the value of the two parameters, shape parameter k, and scale parameter c, were 3.37 and 5.61 m/s, respectively. The annual mean wind speed and wind speed carrying the maximum energy were 5.32 m/s and 6.45 m/s, respectively. Further, the annual energy density at the site was found at a value of 103.87 W/m2, and based on Pacific North-west Laboratory (PNL) wind power classification, at the height of 10 m, the value of annual energy density is classified into class 2. The commercial wind turbine is chosen to simulate the wind energy potential of the site. The POLARIS P25-100 is most suitable to the site. It has the capacity factor 29.79% and can produce energy 261 MWh/year.

Analysis on Potential of Electric Energy Market based on Large Industrial Consumer

NASA Astrophysics Data System (ADS)

Lin, Jingyi; Zhu, Xinzhi; Yang, Shuo; Xia, Huaijian; Yang, Di; Li, Hao; Lin, Haiying

2018-01-01

The implementation of electric energy substitution by enterprises plays an important role in promoting the development of energy conservation and emission reduction in china. In order to explore alternative energy potential of industrial enterprises, to simulate and analyze the process of industrial enterprises, identify high energy consumption process and equipment, give priority to alternative energy technologies, and determine the enterprise electric energy substitution potential predictive value, this paper constructs the evaluation model of the influence factors of the electric energy substitution potential of industrial enterprises, and uses the combined weight method to determine the weight value of the evaluation factors to calculate the target value of the electric energy substitution potential. Taking the iron and steel industry as an example, this method is used to excavate the potential. The results show that the method can effectively tap the potential of the electric power industry

Potentials for Platooning in U.S. Highway Freight Transport: Preprint

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

Muratori, Matteo; Holden, Jacob; Lammert, Michael

2017-03-15

Smart technologies enabling connection among vehicles and between vehicles and infrastructure as well as vehicle automation to assist human operators are receiving significant attention as means for improving road transportation systems by reducing fuel consumption - and related emissions - while also providing additional benefits through improving overall traffic safety and efficiency. For truck applications, currently responsible for nearly three-quarters of the total U.S. freight energy use and greenhouse gas (GHG) emissions, platooning has been identified as an early feature for connected and automated vehicles (CAVs) that could provide significant fuel savings and improved traffic safety and efficiency without radicalmore » design or technology changes compared to existing vehicles. A statistical analysis was performed based on a large collection of real-world U.S. truck usage data to estimate the fraction of total miles that are technically suitable for platooning. In particular, our analysis focuses on estimating 'platoonable' mileage based on overall highway vehicle use and prolonged high-velocity traveling, establishing that about 65% of the total miles driven by combination trucks could be driven in platoon formation, leading to a 4% reduction in total truck fuel consumption. This technical potential for 'platoonable' miles in the U.S. provides an upper bound for scenario analysis considering fleet willingness to platoon as an estimate of overall benefits of early adoption of CAV technologies. A benefit analysis is proposed to assess the overall potential for energy savings and emissions mitigation by widespread implementation of highway platooning for trucks.« less

High Energy Scattering in the AdS/CFT Correspondence

NASA Astrophysics Data System (ADS)

Penedones, Joao

2007-12-01

This work explores the celebrated AdS/CFT correspondence in the regime of high energy scattering in Anti--de Sitter (AdS) spacetime. In particular, we develop the eikonal approximation to high energy scattering in AdS and explore its consequences for the dual Conformal Field Theory (CFT). Using position space Feynman rules, we rederive the eikonal approximation for high energy scattering in flat space. Following this intuitive position space perspective, we then generalize the eikonal approximation for high energy scattering in AdS and other spacetimes. Remarkably, we are able to resum, in terms of a generalized phase shift, ladder and cross ladder Witten diagrams associated to the exchange of an AdS spin j field, to all orders in the coupling constant. By the AdS/CFT correspondence, the eikonal amplitude in AdS is related to the four point function of CFT primary operators in the regime of large 't Hooft coupling, including all terms of the 1/N expansion. We then show that the eikonal amplitude determines the behavior of the CFT four point function for small values of the cross ratios in a Lorentzian regime and that this controls its high spin and dimension conformal partial wave decomposition. These results allow us to determine the anomalous dimension of high spin and dimension double trace primary operators, by relating it to the AdS eikonal phase shift. Finally we find that, at large energies and large impact parameters in AdS, the gravitational interaction dominates all other interactions, as in flat space. Therefore, the anomalous dimension of double trace operators, associated to graviton exchange in AdS, yields a universal prediction for CFT's with AdS gravitational duals.

The Global Mode-1 S2 Internal Tide

NASA Astrophysics Data System (ADS)

Zhao, Zhongxiang

2017-11-01

The global mode-1 S2 internal tide is observed using sea surface height (SSH) measurements from four satellite altimeters: TOPEX/Poseidon, Jason-1, Jason-2, and Geosat Follow-On. Plane wave analysis is employed to extract three mode-1 S2 internal tidal waves in any given 250 km by 250 km window, which are temporally coherent over a 20 year period from 1992 to 2012. Depth-integrated energy and flux of the S2 internal tide are calculated from the SSH amplitude and a conversion function built from climatological hydrographic profiles in the World Ocean Atlas 2013. The results show that the S2 and M2 internal tides have similar spatial patterns. Both S2 and M2 internal tides originate at major topographic features and propagate over long distances. The S2 internal tidal beams are generally shorter, likely because the relatively weaker S2 internal tide is easily overwhelmed by nontidal noise. The northbound S2 and M2 internal tides from the Hawaiian Ridge are observed to travel over 3500 km across the Northeast Pacific. The globally integrated energy of the mode-1 S2 internal tide is 7.8 PJ (1 PJ = 1015 J), about 20% that of M2 (36.4 PJ). The histogram of S2 to M2 SSH ratios peaks at 0.4, consistent with the square root of their energy ratio. In terms of SSH, S2 is greater than M2 in ≈10% of the global ocean and ≥50% of M2 in about half of the global ocean.

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

PubMed

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

2010-08-10

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

S1(1A1)<--S0(1A1) transition of benzo[g,h,i]perylene in supersonic jets and rare gas matrices.

PubMed

Rouillé, G; Arold, M; Staicu, A; Krasnokutski, S; Huisken, F; Henning, Th; Tan, X; Salama, F

2007-05-07

The study of the S1(1A1)<--S0(1A1) transition of benzo[g,h,i]perylene (BghiP, C22H12) in supersonic jets and solid rare gas matrices is reported. In the jet-cooled spectrum, the origin band position is located at 25,027.1+/-0.2 cm-1, the assignment being supported by the analysis of vibrational shifts and rotational band contours. Except for the origin band, which is weak, all bands are attributed to the fundamental excitation of nontotally symmetric b1 vibrational modes of S1. The intensity pattern is interpreted as a consequence of the weak oscillator strength of the electronic transition combined with intensity-borrowing through vibronic interaction between the S1(1A1) and S2(1B1) states. The spectra of the S1(1A1)<--S0(1A1) and S2(1B1)<--S0(1A1) transitions have also been measured for BghiP in solid neon and argon matrices. The comparison of the redshifts determined for either transition reveals that the polarizability of BghiP is larger in its S2 than in its S1 state. Bandwidths of 2.7 cm-1 measured in supersonic jets, which provide conditions relevant for astrophysics, are similar to those of most diffuse interstellar bands. The electronic transitions of BghiP are found to lie outside the ranges covered by present databases. From the comparison between experimental spectra and theoretical computations, it is concluded that the accuracy of empirical and ab initio approaches in predicting electronic energies is still not sufficient to identify astrophysically interesting candidates for spectroscopic laboratory studies.

Constructing high-accuracy intermolecular potential energy surface with multi-dimension Morse/Long-Range model

NASA Astrophysics Data System (ADS)

Zhai, Yu; Li, Hui; Le Roy, Robert J.

2018-04-01

Spectroscopically accurate Potential Energy Surfaces (PESs) are fundamental for explaining and making predictions of the infrared and microwave spectra of van der Waals (vdW) complexes, and the model used for the potential energy function is critically important for providing accurate, robust and portable analytical PESs. The Morse/Long-Range (MLR) model has proved to be one of the most general, flexible and accurate one-dimensional (1D) model potentials, as it has physically meaningful parameters, is flexible, smooth and differentiable everywhere, to all orders and extrapolates sensibly at both long and short ranges. The Multi-Dimensional Morse/Long-Range (mdMLR) potential energy model described herein is based on that 1D MLR model, and has proved to be effective and accurate in the potentiology of various types of vdW complexes. In this paper, we review the current status of development of the mdMLR model and its application to vdW complexes. The future of the mdMLR model is also discussed. This review can serve as a tutorial for the construction of an mdMLR PES.

Consequences of Converting Graded to Action Potentials upon Neural Information Coding and Energy Efficiency

PubMed Central

Sengupta, Biswa; Laughlin, Simon Barry; Niven, Jeremy Edward

2014-01-01

Information is encoded in neural circuits using both graded and action potentials, converting between them within single neurons and successive processing layers. This conversion is accompanied by information loss and a drop in energy efficiency. We investigate the biophysical causes of this loss of information and efficiency by comparing spiking neuron models, containing stochastic voltage-gated Na+ and K+ channels, with generator potential and graded potential models lacking voltage-gated Na+ channels. We identify three causes of information loss in the generator potential that are the by-product of action potential generation: (1) the voltage-gated Na+ channels necessary for action potential generation increase intrinsic noise and (2) introduce non-linearities, and (3) the finite duration of the action potential creates a ‘footprint’ in the generator potential that obscures incoming signals. These three processes reduce information rates by ∼50% in generator potentials, to ∼3 times that of spike trains. Both generator potentials and graded potentials consume almost an order of magnitude less energy per second than spike trains. Because of the lower information rates of generator potentials they are substantially less energy efficient than graded potentials. However, both are an order of magnitude more efficient than spike trains due to the higher energy costs and low information content of spikes, emphasizing that there is a two-fold cost of converting analogue to digital; information loss and cost inflation. PMID:24465197

Warm Body Temperature Facilitates Energy Efficient Cortical Action Potentials

PubMed Central

Yu, Yuguo; Hill, Adam P.; McCormick, David A.

2012-01-01

The energy efficiency of neural signal transmission is important not only as a limiting factor in brain architecture, but it also influences the interpretation of functional brain imaging signals. Action potential generation in mammalian, versus invertebrate, axons is remarkably energy efficient. Here we demonstrate that this increase in energy efficiency is due largely to a warmer body temperature. Increases in temperature result in an exponential increase in energy efficiency for single action potentials by increasing the rate of Na+ channel inactivation, resulting in a marked reduction in overlap of the inward Na+, and outward K+, currents and a shortening of action potential duration. This increase in single spike efficiency is, however, counterbalanced by a temperature-dependent decrease in the amplitude and duration of the spike afterhyperpolarization, resulting in a nonlinear increase in the spike firing rate, particularly at temperatures above approximately 35°C. Interestingly, the total energy cost, as measured by the multiplication of total Na+ entry per spike and average firing rate in response to a constant input, reaches a global minimum between 37–42°C. Our results indicate that increases in temperature result in an unexpected increase in energy efficiency, especially near normal body temperature, thus allowing the brain to utilize an energy efficient neural code. PMID:22511855

Electron energy distributions in uranium helium mixtures. M.S. Thesis

NASA Technical Reports Server (NTRS)

Makowski, M. A.

1977-01-01

The high energy portion of the electron energy distribution for mixtures of uranium and helium at 1 atm, 5000 K, and a neutron flux of 2x10 to the 12th power/sq cm-sec have been calculated. The addition of He improves the heat transport characteristics of the plasma and has the feature that the He energy levels lie in the high energy portion of the electron distribution, potentially allowing non maxwellian excitation. It is concluded, however, that the resulting reaction rates are marginal relative to achieving inversion in He.

Structure and binding energy of the H2S dimer at the CCSD(T) complete basis set limit.

PubMed

Lemke, Kono H

2017-06-21

This study presents results for the binding energy and geometry of the H 2 S dimer which have been computed using Møller-Plesset perturbation theory (MP2, MP4) and coupled cluster (CCSD, CCSD(T)) calculations with basis sets up to aug-cc-pV5Z. Estimates of D e , E ZPE , D o , and dimer geometry have been obtained at each level of theory by taking advantage of the systematic convergence behavior toward the complete basis set (CBS) limit. The CBS limit binding energy values of D e are 1.91 (MP2), 1.75 (MP4), 1.41 (CCSD), and 1.69 kcal/mol (CCSD[T]). The most accurate values for the equilibrium S-S distance r SS (without counterpoise correction) are 4.080 (MP2/aug-cc-pV5Z), 4.131 (MP4/aug-cc-pVQZ), 4.225 (CCSD/aug-cc-pVQZ), and 4.146 Å (CCSD(T)/aug-cc-pVQZ). This study also evaluates the effect of counterpoise correction on the H 2 S dimer geometry and binding energy. As regards the structure of (H 2 S) 2 , MPn, CCSD, and CCSD(T) level values of r SS , obtained by performing geometry optimizations on the counterpoise-corrected potential energy surface, converge systematically to CBS limit values of 4.099 (MP2), 4.146 (MP4), 4.233 (CCSD), and 4.167 Å (CCSD(T)). The corresponding CBS limit values of the equilibrium binding energy D e are 1.88 (MP2), 1.76 (MP4), 1.41 (CCSD), and 1.69 kcal/mol (CCSD(T)), the latter in excellent agreement with the measured binding energy value of 1.68 ± 0.02 kcal/mol reported by Ciaffoni et al. [Appl. Phys. B 92, 627 (2008)]. Combining CBS electronic binding energies D e with E ZPE predicted by CCSD(T) vibrational second-order perturbation theory calculations yields D o = 1.08 kcal/mol, which is around 0.6 kcal/mol smaller than the measured value of 1.7 ± 0.3 kcal/mol. Overall, the results presented here demonstrate that the application of high level calculations, in particular CCSD(T), in combination with augmented correlation consistent basis sets provides valuable insight into the structure and energetics of the hydrogen sulfide

Docking, molecular dynamics, binding energy-MM-PBSA studies of naphthofuran derivatives to identify potential dual inhibitors against BACE-1 and GSK-3β.

PubMed

Kumar, Akhil; Srivastava, Gaurava; Negi, Arvind S; Sharma, Ashok

2018-01-19

BACE-1 and GSK-3β both are potential therapeutic drug targets for Alzheimer's disease. Recently, both these targets received attention for designing dual inhibitors. Till now only two scaffolds (triazinone and curcumin) derivatives have been reported as BACE-1 and GSK-3β dual inhibitors. In our previous work, we have reported first in class dual inhibitor for BACE-1 and GSK-3β. In this study, we have explored other naphthofuran derivatives for their potential to inhibit BACE-1 and GSK-3β through docking, molecular dynamics, binding energy (MM-PBSA). These computational methods were performed to estimate the binding affinity of naphthofuran derivatives towards the BACE-1 and GSK-3β. In the docking results, two derivatives (NS7 and NS9) showed better binding affinity as compared to previously reported inhibitors. Hydrogen bond occupancy of NS7 and NS9 generated from MD trajectories showed good interaction with the flap residues Gln73, Thr72 of BACE-1 and Arg141, Thr138 residues of GSK-3β. MM-PBSA and energy decomposition per residue revealed different components of binding energy and relative importance of amino acid involved in binding. The results showed that the binding of inhibitors was majorly governed by the hydrophobic interactions and suggesting that hydrophobic interactions might be the key to design dual inhibitors for BACE1-1 and GSK-3β. Distance between important pair of amino acid residues indicated that BACE-1 and GSK-3β adopt closed conformation and become inactive after ligand binding. The results suggested that naphthofuran derivatives might act as dual inhibitor against BACE-1 and GSK-3β.

Potential energy and dipole moment surfaces of the triplet states of the O2(X3Σg-) - O2(X3Σg-,a1Δg,b1Σg+) complex

NASA Astrophysics Data System (ADS)

Karman, Tijs; van der Avoird, Ad; Groenenboom, Gerrit C.

2017-08-01

We compute four-dimensional diabatic potential energy surfaces and transition dipole moment surfaces of O2-O2, relevant for the theoretical description of collision-induced absorption in the forbidden X3Σg- → a1Δg and X3Σg- → b1Σg+ bands at 7883 cm-1 and 13 122 cm-1, respectively. We compute potentials at the multi-reference configuration interaction (MRCI) level and dipole surfaces at the MRCI and complete active space self-consistent field (CASSCF) levels of theory. Potentials and dipole surfaces are transformed to a diabatic basis using a recent multiple-property-based diabatization algorithm. We discuss the angular expansion of these surfaces, derive the symmetry constraints on the expansion coefficients, and present working equations for determining the expansion coefficients by numerical integration over the angles. We also present an interpolation scheme with exponential extrapolation to both short and large separations, which is used for representing the O2-O2 distance dependence of the angular expansion coefficients. For the triplet ground state of the complex, the potential energy surface is in reasonable agreement with previous calculations, whereas global excited state potentials are reported here for the first time. The transition dipole moment surfaces are strongly dependent on the level of theory at which they are calculated, as is also shown here by benchmark calculations at high symmetry geometries. Therefore, ab initio calculations of the collision-induced absorption spectra cannot become quantitatively predictive unless more accurate transition dipole surfaces can be computed. This is left as an open question for method development in electronic structure theory. The calculated potential energy and transition dipole moment surfaces are employed in quantum dynamical calculations of collision-induced absorption spectra reported in Paper II [T. Karman et al., J. Chem. Phys. 147, 084307 (2017)].

Potential energy and dipole moment surfaces of the triplet states of the O2(X3Σg-) - O2(X3Σg-,a1Δg,b1Σg+) complex.

PubMed

Karman, Tijs; van der Avoird, Ad; Groenenboom, Gerrit C

2017-08-28

We compute four-dimensional diabatic potential energy surfaces and transition dipole moment surfaces of O 2 -O 2 , relevant for the theoretical description of collision-induced absorption in the forbidden X 3 Σ g -  → a 1 Δ g and X 3 Σ g -  → b 1 Σ g + bands at 7883 cm -1 and 13 122 cm -1 , respectively. We compute potentials at the multi-reference configuration interaction (MRCI) level and dipole surfaces at the MRCI and complete active space self-consistent field (CASSCF) levels of theory. Potentials and dipole surfaces are transformed to a diabatic basis using a recent multiple-property-based diabatization algorithm. We discuss the angular expansion of these surfaces, derive the symmetry constraints on the expansion coefficients, and present working equations for determining the expansion coefficients by numerical integration over the angles. We also present an interpolation scheme with exponential extrapolation to both short and large separations, which is used for representing the O 2 -O 2 distance dependence of the angular expansion coefficients. For the triplet ground state of the complex, the potential energy surface is in reasonable agreement with previous calculations, whereas global excited state potentials are reported here for the first time. The transition dipole moment surfaces are strongly dependent on the level of theory at which they are calculated, as is also shown here by benchmark calculations at high symmetry geometries. Therefore, ab initio calculations of the collision-induced absorption spectra cannot become quantitatively predictive unless more accurate transition dipole surfaces can be computed. This is left as an open question for method development in electronic structure theory. The calculated potential energy and transition dipole moment surfaces are employed in quantum dynamical calculations of collision-induced absorption spectra reported in Paper II [T. Karman et al., J. Chem. Phys. 147, 084307 (2017)].

Soluble programmed cell death receptor-1 (sPD-1): a potential biomarker with anti-inflammatory properties in human and experimental acute respiratory distress syndrome (ARDS).

PubMed

Monaghan, Sean F; Chung, Chun-Shiang; Chen, Yaping; Lomas-Neira, Joanne; Fairbrother, William G; Heffernan, Daithi S; Cioffi, William G; Ayala, Alfred

2016-11-11

Acute respiratory distress syndrome (ARDS) remains a common organ dysfunction in the critically ill patient. Mechanisms for its development have focused on immune mediated causes, aspects of our understanding are not complete, and we lack biomarkers. Blood and bronchial alveolar lavage fluid (BAL) from humans (n = 10-13) with ARDS and controls (n = 5-10) as well as a murine model of ARDS (n = 5-6) with controls (n = 6-7) were studied. ARDS was induced in mice by hemorrhagic shock (day 1) followed by poly-microbial sepsis (day 2). Samples were then collected on the third day after the animals were euthanized. Ex vivo experiments used splenocytes from animals with ARDS cultured with and without soluble programmed death receptor-1 (sPD-1). Levels of sPD-1 are increased in both the serum (11,429.3 pg/mL(SD 2133.3) vs. 8061.4(SD 4187.8), p = 0.036) and bronchial alveolar lavage (BAL) fluid (6,311.1 pg/mL(SD 3758.0) vs. 90.7 pg/mL(SD 202.8), p = 0.002) of humans with ARDS. Similar results are seen in the serum (9396.1 pg/mL(SD 1546.0) vs. 3464.5 pg/mL(SD 2511.8), p = 0.001) and BAL fluid (2891.7 pg/mL(SD 868.1) vs. 1385.9 pg/mL(SD 927.8), p = 0.012) of mice. sPD-1 levels in murine blood (AUC = 1(1-1), p = 0.006), murine BAL fluid (AUC = 0.905(0.717-1.093), p = 0.015), and human BAL (AUC = 1(1-1), p = 0.001) fluid predicted ARDS. To assess the importance of sPD-1 in ARDS, ex vivo experiments were undertaken. BAL fluid from mice with ARDS dampens the TNF-α production compared to cells cultured with BAL lacking sPD-1 (2.7 pg/mL(SD 3.8) vs. 52.38 pg/mL(SD 25.1), p = 0.002). This suggests sPD-1 is elevated in critical illness and may represent a potential biomarker for ARDS. In addition, sPD-1 has an anti-inflammatory mechanism in conditions of marked stress and aids in the resolution of severe inflammation. sPD-1 could be used to not only diagnose ARDS, but may be a potential therapy.

Cold collisions of SH- with He: Potential energy surface and rate coefficients

NASA Astrophysics Data System (ADS)

Bop, C. T.; Trabelsi, T.; Hammami, K.; Mogren Al Mogren, M.; Lique, F.; Hochlaf, M.

2017-09-01

Collisional energy transfer under cold conditions is of great importance from the fundamental and applicative point of view. Here, we investigate low temperature collisions of the SH- anion with He. We have generated a three-dimensional potential energy surface (PES) for the SH-(X1Σ+)-He(1S) van der Waals complex. The ab initio multi-dimensional interaction PES was computed using the explicitly correlated coupled cluster approach with simple, double, and perturbative triple excitation in conjunction with the augmented-correlation consistent-polarized valence triple zeta Gaussian basis set. The PES presents two minima located at linear geometries. Then, the PES was averaged over the ground vibrational wave function of the SH- molecule and the resulting two-dimensional PES was incorporated into exact quantum mechanical close coupling calculations to study the collisional excitation of SH- by He. We have computed inelastic cross sections among the 11 first rotational levels of SH- for energies up to 2500 cm-1. (De-)excitation rate coefficients were deduced for temperatures ranging from 1 to 300 K by thermally averaging the cross sections. We also performed calculations using the new PES for a fixed internuclear SH- distance. Both sets of results were found to be in reasonable agreement despite differences existing at low temperatures confirming that accurate predictions require the consideration of all internal degrees of freedom in the case of molecular hydrides. The rate coefficients presented here may be useful in interpreting future experimental work on the SH- negative ion colliding with He as those recently done for the OH--He collisional system as well as for possible astrophysical applications in case SH- would be detected in the interstellar medium.

Assessing the polycyclic aromatic hydrocarbon anisotropic potential with application to the exfoliation energy of graphite.

PubMed

Totton, Tim S; Misquitta, Alston J; Kraft, Markus

2011-11-24

In this work we assess a recently published anisotropic potential for polycyclic aromatic hydrocarbon (PAH) molecules (J. Chem. Theory Comput. 2010, 6, 683-695). Comparison to recent high-level symmetry-adapted perturbation theory based on density functional theory (SAPT(DFT)) results for coronene (C(24)H(12)) demonstrate the transferability of the potential while highlighting some limitations with simple point charge descriptions of the electrostatic interaction. The potential is also shown to reproduce second virial coefficients of benzene (C(6)H(6)) with high accuracy, and this is enhanced by using a distributed multipole model for the electrostatic interaction. The graphene dimer interaction energy and the exfoliation energy of graphite have been estimated by extrapolation of PAH interaction energies. The contribution of nonlocal fluctuations in the π electron density in graphite have also been estimated which increases the exfoliation energy by 3.0 meV atom(-1) to 47.6 meV atom(-1), which compares well to recent theoretical and experimental results.

Ab initio reaction pathways for photodissociation and isomerization of nitromethane on four singlet potential energy surfaces with three roaming paths

NASA Astrophysics Data System (ADS)

Isegawa, Miho; Liu, Fengyi; Maeda, Satoshi; Morokuma, Keiji

2014-06-01

Photodissociation pathways of nitromethane following π → π* electronic excitation are reported. The potential energy surfaces for four lowest singlet states are explored, and structures of many intermediates, dissociation limits, transition states, and minimum energy conical intersections were determined using the automated searching algorism called the global reaction route mapping strategy. Geometries are finally optimized at CASSCF(14e,11o) level and energies are computed at CAS(14o,11e)PT2 level. The calculated preferable pathways and important products qualitatively explain experimental observations. The major photodissociation product CH3 and NO2 (2B2) is formed by direct dissociation from the S1 state. Important pathways involving S1 and S0 states for production of various dissociation products CH3NO + O (1D), CH3O(X2E) + NO (X2Π), CH2NO + OH, and CH2O + HNO, as well as various isomerization pathways have been identified. Three roaming processes also have been identified: the O atom roaming in O dissociation from CH3NO2, the OH radical roaming in OH dissociation from CH2N(O)(OH), and the NO roaming in NO dissociation from CH3ONO.

Ab initio reaction pathways for photodissociation and isomerization of nitromethane on four singlet potential energy surfaces with three roaming paths.

PubMed

Isegawa, Miho; Liu, Fengyi; Maeda, Satoshi; Morokuma, Keiji

2014-06-28

Photodissociation pathways of nitromethane following π → π(*) electronic excitation are reported. The potential energy surfaces for four lowest singlet states are explored, and structures of many intermediates, dissociation limits, transition states, and minimum energy conical intersections were determined using the automated searching algorism called the global reaction route mapping strategy. Geometries are finally optimized at CASSCF(14e,11o) level and energies are computed at CAS(14o,11e)PT2 level. The calculated preferable pathways and important products qualitatively explain experimental observations. The major photodissociation product CH3 and NO2 ((2)B2) is formed by direct dissociation from the S1 state. Important pathways involving S1 and S0 states for production of various dissociation products CH3NO + O ((1)D), CH3O(X(2)E) + NO (X(2)Π), CH2NO + OH, and CH2O + HNO, as well as various isomerization pathways have been identified. Three roaming processes also have been identified: the O atom roaming in O dissociation from CH3NO2, the OH radical roaming in OH dissociation from CH2N(O)(OH), and the NO roaming in NO dissociation from CH3ONO.

U.S.– India Joint Center for Building Energy Research and Development (CBERD) Caring for the Energy Health of Healthcare Facilities

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

Singh, Reshma; Mathew, Paul; Granderson, Jessica

The U.S.-India Joint Center for Building Energy Research & Development (CBERD), created through the Partnership to Accelerate Clean Energy (PACE) agreement between the United States and India, is a research and development (R&D) center with over 30 institutional and industry partners from both nations. This five-year presidential initiative is jointly funded by the U.S. Department of Energy and the Government of India. CBERD aims to build upon a foundation of collaborative knowledge, tools, and technologies, and human capabilities that will increase development of high-performance buildings. To reach this goal, the R&D focuses on energy use reduction throughout the entire lifemore » cycle of buildings—i.e., design, construction, and operations. During the operations phase of buildings, even with best-practice energy-efficient design, actual energy use can be much higher than the design intent. Every day, much of the energy consumed by buildings serves no purpose (Roth et al. 2005). Building energy information systems (EIS) are commercially available systems that building owners and facility managers use to assess their building operations, measure, visualize, analyze, and report energy cost and consumption. Energy information systems can enable significant energy savings by tracking energy use, identifying consumption patterns, and benchmarking performance against similar buildings, thereby identifying improvement opportunities. The CBERD team has identified potential energy savings of approximately 2 quads of primary energy in the United States, while industry building energy audits in India have indicated potential energy savings of up to 30 percent in commercial buildings such as offices. Additionally, the CBERD team has identified healthcare facilities (e.g., hospitals, clinics), hotels, and offices as the three of the highest-growth sectors in India that have significant energy consumption, and that would benefit the most from implementation of EIS.« less

Study of the potential of wave energy in Malaysia

NASA Astrophysics Data System (ADS)

Tan, Wan Ching; Chan, Keng Wai; Ooi, Heivin

2017-07-01

Renewable energy is generally defined as energy harnessed from resources which are naturally replenished. It is an alternative to the current conventional energy sources such as natural gas, oil and coal, which are nonrenewable. Besides being nonrenewable, the harnessing of these resources generally produce by-products which could be potentially harmful to the environment. On the contrary, the generation from renewable energy does not pose environmental degradation. Some examples of renewable energy sources are sunlight, wind, tides, waves and geothermal heat. Wave energy is considered as one of the most promising marine renewable resources and is becoming commercially viable quicker than other renewable technologies at an astonishing growth rate. This paper illustrates the working principle of wave energy converter (WEC) and the availability of wave energy in Malaysia oceans. A good understanding of the behaviour of ocean waves is important for designing an efficient WEC as the characteristics of the waves in shallow and deep water are different. Consequently, wave energy converters are categorized into three categories on shore, near shore and offshore. Therefore, the objectives of this study is ought to be carried out by focusing on the formation of waves and wave characteristics in shallow as well as in deep water. The potential sites for implementation of wave energy harvesting technology in Malaysia and the wave energy available in the respective area were analysed. The potential of wave energy in Malaysia were tabulated and presented with theoretical data. The interaction between motion of waves and heave buoys for optimum phase condition by using the mass and diameter as the variables were investigated.

Energy Conservation Potential of Surface Modification Technologies

DTIC Science & Technology

1985-09-01

vigorously pursued by industry. In effect, two companies, Energy Conversion Devices, Inc. and Chronar, both amor- phous photovoltaic cell producers...MOOM«* -KIO «t t» IO CM 00 00 VO Ov vo oo CM vo r- o Tj- o oo CM IO vO© t IO t ON to ovvotor- inov ^io CM CM — — CM — vo CM CM in — tn...Maklno Mach. Tool Co. Model MC 40 (Y-15 3/4") Kearney & Trecker M1lwaukee-Mat1c 180 (Y«20") Hitachi Selkl U.S.A. Inc. HA-400 SEIKIMATIC <Y» 20") Ex- Cell

H.E.S.S. discovery of very high energy γ-ray emission from PKS 0625-354

NASA Astrophysics Data System (ADS)

H.E.S.S. Collaboration; Abdalla, H.; Abramowski, A.; Aharonian, F.; Ait Benkhali, F.; Akhperjanian, A. G.; Andersson, T.; Angüner, E. O.; Arrieta, M.; Aubert, P.; Backes, M.; Balzer, A.; Barnard, M.; Becherini, Y.; Becker Tjus, J.; Berge, D.; Bernhard, S.; Bernlöhr, K.; Blackwell, R.; Böttcher, M.; Boisson, C.; Bolmont, J.; Bordas, P.; Bregeon, J.; Brun, F.; Brun, P.; Bryan, M.; Bulik, T.; Capasso, M.; Carr, J.; Casanova, S.; Cerruti, M.; Chakraborty, N.; Chalme-Calvet, R.; Chaves, R. C. G.; Chen, A.; Chevalier, J.; Chrétien, M.; Colafrancesco, S.; Cologna, G.; Condon, B.; Conrad, J.; Cui, Y.; Davids, I. D.; Decock, J.; Degrange, B.; Deil, C.; Devin, J.; deWilt, P.; Dirson, L.; Djannati-Ataï, A.; Domainko, W.; Donath, A.; Drury, L. O'C.; Dubus, G.; Dutson, K.; Dyks, J.; Dyrda, M.; Edwards, T.; Egberts, K.; Eger, P.; Ernenwein, J.-P.; Eschbach, S.; Farnier, C.; Fegan, S.; Fernandes, M. V.; Fiasson, A.; Fontaine, G.; Förster, A.; Funk, S.; Füßling, M.; Gabici, S.; Gajdus, M.; Gallant, Y. A.; Garrigoux, T.; Giavitto, G.; Giebels, B.; Glicenstein, J. F.; Gottschall, D.; Goyal, A.; Grondin, M.-H.; Hadasch, D.; Hahn, J.; Haupt, M.; Hawkes, J.; Heinzelmann, G.; Henri, G.; Hermann, G.; Hervet, O.; Hinton, J. A.; Hofmann, W.; Hoischen, C.; Holler, M.; Horns, D.; Ivascenko, A.; Jacholkowska, A.; Jamrozy, M.; Janiak, M.; Jankowsky, D.; Jankowsky, F.; Jingo, M.; Jogler, T.; Jouvin, L.; Jung-Richardt, I.; Kastendieck, M. A.; Katarzyński, K.; Katz, U.; Kerszberg, D.; Khélifi, B.; Kieffer, M.; King, J.; Klepser, S.; Klochkov, D.; Kluźniak, W.; Kolitzus, D.; Komin, Nu; Kosack, K.; Krakau, S.; Kraus, M.; Krayzel, F.; Krüger, P. P.; Laffon, H.; Lamanna, G.; Lau, J.; Lees, J.-P.; Lefaucheur, J.; Lefranc, V.; Lemière, A.; Lemoine-Goumard, M.; Lenain, J.-P.; Leser, E.; Lohse, T.; Lorentz, M.; Liu, R.; López-Coto, R.; Lypova, I.; Marandon, V.; Marcowith, A.; Mariaud, C.; Marx, R.; Maurin, G.; Maxted, N.; Mayer, M.; Meintjes, P. J.; Meyer, M.; Mitchell, A. M. W.; Moderski, R.; Mohamed, M.; Mohrmann, L.; Morâ, K.; Moulin, E.; Murach, T.; de Naurois, M.; Niederwanger, F.; Niemiec, J.; Oakes, L.; O'Brien, P.; Odaka, H.; Öttl, S.; Ohm, S.; Ostrowski, M.; Oya, I.; Padovani, M.; Panter, M.; Parsons, R. D.; Pekeur, N. W.; Pelletier, G.; Perennes, C.; Petrucci, P.-O.; Peyaud, B.; Piel, Q.; Pita, S.; Poon, H.; Prokhorov, D.; Prokoph, H.; Pühlhofer, G.; Punch, M.; Quirrenbach, A.; Raab, S.; Reimer, A.; Reimer, O.; Renaud, M.; de los Reyes, R.; Rieger, F.; Romoli, C.; Rosier-Lees, S.; Rowell, G.; Rudak, B.; Rulten, C. B.; Sahakian, V.; Salek, D.; Sanchez, D. A.; Santangelo, A.; Sasaki, M.; Schlickeiser, R.; Schüssler, F.; Schulz, A.; Schwanke, U.; Schwemmer, S.; Settimo, M.; Seyffert, A. S.; Shafi, N.; Shilon, I.; Simoni, R.; Sol, H.; Spanier, F.; Spengler, G.; Spies, F.; Stawarz, Ł.; Steenkamp, R.; Stegmann, C.; Stinzing, F.; Stycz, K.; Sushch, I.; Tavernet, J.-P.; Tavernier, T.; Taylor, A. M.; Terrier, R.; Tibaldo, L.; Tiziani, D.; Tluczykont, M.; Trichard, C.; Tuffs, R.; Uchiyama, Y.; van der Walt, D. J.; van Eldik, C.; van Rensburg, C.; van Soelen, B.; Vasileiadis, G.; Veh, J.; Venter, C.; Viana, A.; Vincent, P.; Vink, J.; Voisin, F.; Völk, H. J.; Vuillaume, T.; Wadiasingh, Z.; Wagner, S. J.; Wagner, P.; Wagner, R. M.; White, R.; Wierzcholska, A.; Willmann, P.; Wörnlein, A.; Wouters, D.; Yang, R.; Zabalza, V.; Zaborov, D.; Zacharias, M.; Zanin, R.; Zdziarski, A. A.; Zech, A.; Zefi, F.; Ziegler, A.; Żywucka, N.

2018-05-01

PKS 0625-354 (z = 0.055) was observed with the four High Energy Stereoscopic System (H.E.S.S.) telescopes in 2012 during 5.5 h. The source was detected above an energy threshold of 200 GeV at a significance level of 6.1σ. No significant variability is found in these observations. The source is well described with a power-law spectrum with photon index Γ = 2.84 ± 0.50stat ± 0.10syst and normalization (at E0 = 1.0 TeV) N0(E0) = (0.58 ± 0.22stat ± 0.12syst) × 10-12 TeV-1 cm-2 s-1. Multiwavelength data collected with Fermi-LAT, Swift-XRT, Swift-UVOT, ATOM and WISE are also analysed. Significant variability is observed only in the Fermi-LAT γ-ray and Swift-XRT X-ray energy bands. Having a good multiwavelength coverage from radio to very high energy, we performed a broad-band modelling from two types of emission scenarios. The results from a one zone lepto-hadronic and a multizone leptonic models are compared and discussed. On the grounds of energetics, our analysis favours a leptonic multizone model. Models associated to the X-ray variability constraint support previous results, suggesting a BL Lac nature of PKS 0625-354 with, however, a large-scale jet structure typical of a radio galaxy.

Potentials for Platooning in U.S. Highway Freight Transport

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

Muratori, Matteo; Holden, Jacob; Lammert, Michael

2017-03-28

Smart technologies enabling connection among vehicles and between vehicles and infrastructure as well as vehicle automation to assist human operators are receiving significant attention as a means for improving road transportation systems by reducing fuel consumption - and related emissions - while also providing additional benefits through improving overall traffic safety and efficiency. For truck applications, which are currently responsible for nearly three-quarters of the total U.S. freight energy use and greenhouse gas (GHG) emissions, platooning has been identified as an early feature for connected and automated vehicles (CAVs) that could provide significant fuel savings and improved traffic safety andmore » efficiency without radical design or technology changes compared to existing vehicles. A statistical analysis was performed based on a large collection of real-world U.S. truck usage data to estimate the fraction of total miles that are technically suitable for platooning. In particular, our analysis focuses on estimating 'platoonable' mileage based on overall highway vehicle use and prolonged high-velocity traveling, and established that about 65% of the total miles driven by combination trucks from this data sample could be driven in platoon formation, leading to a 4% reduction in total truck fuel consumption. This technical potential for 'platoonable' miles in the United States provides an upper bound for scenario analysis considering fleet willingness and convenience to platoon as an estimate of overall benefits of early adoption of connected and automated vehicle technologies. A benefit analysis is proposed to assess the overall potential for energy savings and emissions mitigation by widespread implementation of highway platooning for trucks.« less

Full-dimensional ground- and excited-state potential energy surfaces and state couplings for photodissociation of thioanisole

NASA Astrophysics Data System (ADS)

Li, Shaohong L.; Truhlar, Donald G.

2017-02-01

Analytic potential energy surfaces (PESs) and state couplings of the ground and two lowest singlet excited states of thioanisole (C6H5SCH3) are constructed in a diabatic representation based on electronic structure calculations including dynamic correlation. They cover all 42 internal degrees of freedom and a wide range of geometries including the Franck-Condon region and the reaction valley along the breaking S-CH3 bond with the full ranges of the torsion angles. The parameters in the PESs and couplings are fitted to the results of smooth diabatic electronic structure calculations including dynamic electron correlation by the extended multi-configurational quasi-degenerate perturbation theory method for the adiabatic state energies followed by diabatization by the fourfold way. The fit is accomplished by the anchor points reactive potential method with two reactive coordinates and 40 nonreactive degrees of freedom, where the anchor-point force fields are obtained with a locally modified version of the QuickFF package. The PESs and couplings are suitable for study of the topography of the trilayer potential energy landscape and for electronically nonadiabatic molecular dynamics simulations of the photodissociation of the S-CH3 bond.

Photon transitions in {psi}(2S) decays to {chi}{sub cJ}(1P) and {eta}{sub c}(1S)

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

Athar, S.B.; Avery, P.; Breva-Newell, L.

2004-12-01

We have studied the inclusive photon spectrum in {psi}(2S) decays using the CLEO III detector. We present the most precise measurements of electric dipole (E1) photon transition rates for {psi}(2S){yields}{gamma}{chi}{sub cJ}(1P) (J=0,1,2). We also confirm the hindered magnetic dipole (M1) transition, {psi}(2S){yields}{gamma}{eta}{sub c}(1S). However, the direct M1 transition {psi}(2S){yields}{gamma}{eta}{sub c}(2S) observed by the Crystal Ball as a narrow peak at a photon energy of 91 MeV is not found in our data.

The State of U.S. Urban Water: Data and the Energy-Water Nexus

NASA Astrophysics Data System (ADS)

Chini, Christopher M.; Stillwell, Ashlynn S.

2018-03-01

Data on urban water resources are scarce, despite a majority of the U.S. population residing in urban environments. Further, information on the energy required to facilitate the treatment, distribution, and collection of urban water are even more limited. In this study, we evaluate the energy-for-water component of the energy-water nexus by providing and analyzing a unique primary database consisting of drinking water and wastewater utility flows and energy. These anthropogenic fluxes of water through the urban environment are used to assess the state of the U.S. urban energy-water nexus at over 160 utilities. The average daily per person water flux is estimated at 560 L of drinking water and 500 L of wastewater. Drinking water and wastewater utilities require 340 kWh/1,000 m3 and 430 kWh/1,000 m3 of energy, respectively, to treat these resources. The total national energy demand for water utilities accounts for 1.0% of the total annual electricity consumption of the United States. Additionally, the water and embedded energy loss associated with non-revenue water accounts for 9.1 × 109 m3 of water and 3,100 GWh, enough electricity to power 300,000 U.S. households annually. Finally, the water flux and embedded energy fluctuated monthly in many cities. As the nation's water resources become increasingly scarce and unpredictable, it is essential to have a set of empirical data for continuous evaluation and updates on the state of the U.S. urban energy-water nexus.

Pine Needles as Potential Energy Feedstock: Availability in the Central Himalayan State of Uttarakhand, India

NASA Astrophysics Data System (ADS)

Kala, L. D.; Subbarao, P. M. V.

2017-11-01

The amount of pine needles (pinus roxburgii) potentially available for use as energy feedstock in the Central Himalayan state of Uttarakhand in India has been estimated. It involves estimating the gross annual amount of pine needle yield followed by a comprehensive identification and quantification of the factors that affect the net annual pine needle yield available as energy feedstock. These factors include considerations such as accessibility, alternative uses, forest fires, other losses, etc., that are influenced by aspects ranging from physical constraints to traditional societal traits. Tree canopy cover method has been used for estimating the gross annual pine needle yield. The information on canopy density is obtained from remote sensing data, that forms the basis for forest classification. The annual gross pine needle yield has been estimated at 1.9 million tonnes while the annual net pine needle yield at 1.33 million tonnes. The annual primary energy potential of pine needles available as energy feedstock has also been estimated. For annual net energy potential estimation, thermal and electrical routes are considered. Electrical energy generation from pine needles using thermochemical conversion has been examined and the corresponding potential for electricity generation been estimated. An installed capacity of 789 MW can be supported with pine needles feedstock for supplying electricity in rural areas for five hours a day. For round the clock generation, an installed capacity of 165 MW can be supported by the pine needle energy feedstock.

Reaction Mechanisms on Multiwell Potential Energy Surfaces in Combustion (and Atmospheric) Chemistry

DOE PAGES

Osborn, David L.

2017-03-15

Chemical reactions occurring on a potential energy surface with multiple wells are ubiquitous in low temperature combustion and the oxidation of volatile organic compounds in earth’s atmosphere. The rich variety of structural isomerizations that compete with collisional stabilization make characterizing such complex-forming reactions challenging. This review describes recent experimental and theoretical advances that deliver increasingly complete views of their reaction mechanisms. New methods for creating reactive intermediates coupled with multiplexed measurements provide many experimental observables simultaneously. Automated methods to explore potential energy surfaces can uncover hidden reactive pathways, while master equation methods enable a holistic treatment of both sequential andmore » well-skipping pathways. Our ability to probe and understand nonequilibrium effects and reaction sequences is increasing. These advances provide the fundamental science base for predictive models of combustion and the atmosphere that are crucial to address global challenges.« less

Reaction Mechanisms on Multiwell Potential Energy Surfaces in Combustion (and Atmospheric) Chemistry

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

Osborn, David L.

Chemical reactions occurring on a potential energy surface with multiple wells are ubiquitous in low temperature combustion and the oxidation of volatile organic compounds in earth’s atmosphere. The rich variety of structural isomerizations that compete with collisional stabilization make characterizing such complex-forming reactions challenging. This review describes recent experimental and theoretical advances that deliver increasingly complete views of their reaction mechanisms. New methods for creating reactive intermediates coupled with multiplexed measurements provide many experimental observables simultaneously. Automated methods to explore potential energy surfaces can uncover hidden reactive pathways, while master equation methods enable a holistic treatment of both sequential andmore » well-skipping pathways. Our ability to probe and understand nonequilibrium effects and reaction sequences is increasing. These advances provide the fundamental science base for predictive models of combustion and the atmosphere that are crucial to address global challenges.« less

Direct computation of general chemical energy differences: Application to ionization potentials, excitation, and bond energies.

PubMed

Beste, A; Harrison, R J; Yanai, T

2006-08-21

Chemists are mainly interested in energy differences. In contrast, most quantum chemical methods yield the total energy which is a large number compared to the difference and has therefore to be computed to a higher relative precision than would be necessary for the difference alone. Hence, it is desirable to compute energy differences directly, thereby avoiding the precision problem. Whenever it is possible to find a parameter which transforms smoothly from an initial to a final state, the energy difference can be obtained by integrating the energy derivative with respect to that parameter (cf. thermodynamic integration or adiabatic connection methods). If the dependence on the parameter is predominantly linear, accurate results can be obtained by single-point integration. In density functional theory and Hartree-Fock, we applied the formalism to ionization potentials, excitation energies, and chemical bond breaking. Example calculations for ionization potentials and excitation energies showed that accurate results could be obtained with a linear estimate. For breaking bonds, we introduce a nongeometrical parameter which gradually turns the interaction between two fragments of a molecule on. The interaction changes the potentials used to determine the orbitals as well as the constraint on the orbitals to be orthogonal.

Mobil`s Energy Management Program

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

Schoeneborn, F.C.

1997-06-01

Mobil`s Facilities Management Network sponsored a cross-divisional team to reduce energy costs. This team developed an Energy Management Plan to reduce energy costs by $25 million annually throughout all Mobil divisions over the next five years (total of $125 million committed savings). The core of this plan is the belief that energy costs are controllable and should be managed with the expertise that Mobil manages other parts of the business. Areas of focus are economic procurement, efficient consumption, and expertise sharing.

Energy-filtering-induced high power factor in PbS-nanoparticles-embedded TiS2

NASA Astrophysics Data System (ADS)

Wang, Yulong; Wen, Junfu; Fan, Zhenghua; Bao, Ningzhong; Huang, Rong; Tu, Rong; Wang, Yifeng

2015-04-01

We report on a greatly enhanced power factor for 1%PbS-nanoparticle-embedded TiS2 bulk ceramic, about 1 mW/(mK2) at 300 K and 1.23 mW/(mK2) in a wide temperature range of 573 ˜ 673 K, of which the latter is among the highest so far for TiS2-based thermoelectric materials. Compared to TiS2, the power factor is increased by ˜110% at 300 K and (50 ˜ 35)% at 573 ˜ 673 K. This enhancement is derived from a large increase in Seebeck coefficient which overwhelmed the modest degradation of electrical conductivity, which should be attributed to energy filtering induced by the band gap offset between TiS2 and PbS.

Direct-Potential (dpf) Analysis for the a 3Π1-X 1Σ+ System of I35/37Cl.

NASA Astrophysics Data System (ADS)

Kobayashi, Shinji; Nishimiya, Nobuo; Yukiya, Tokio; Suzuki, Masao; Le Roy, Robert J.

2016-06-01

The goal of this research is to obtain an optimal, portable, global description of, and summary of the dynamical properties of, the A 3Π1 and X 1Σ+ states of I35/37Cl, by using `direct potential fits' (DPFs) to all of the available spectroscopic data for this system to determine optimal analytic potential energy functions for these two states that represent all of those data (on average), within the experimental uncertainties. The DPF method compares observed spectroscopic data with synthetic data generated by solving the radial Schrödinger equation for the upper and lower level of every observed transition for some parameterized analytic potential function(s), and using least-squares fits to the data to optimize those parameters. The present work uses the Morse/Long-Range (MLR) potential function form because it is very flexible, can incorporate the correct theoretically known inverse-power-sum long-range behaviour, is everywhere continuous and differentiable to all orders, and has robust extrapolation properties at both large and small distances. The DPF approach also tends to require fewer fitting parameters than do traditional Dunham analyses, as well as having much more robust extrapolation properties in both the v and J domains. The present work combines the data for the A 3Π1 and X 1Σ+ states obtained in 1980 by Coxon et al. using UV and near-infrared grating spectrometers, with our measurements in the 0.7-0.8μm region, obtained using a CW Ti:Sapphire Ring Laser. The results of this study and our new fully analytic potential energy functions for the A 3Π1 and X 1Σ+ states of ICl will be presented. J.A. Coxon, R.M. Gordon and M.A. Wickramaaratchi, J. Mol. Spectrosc. 79 (1980) 363 and 380. T.Yukiya, N. Nishimiya and M. Suzuki, J. Mol. Spectrosc. 269 (2011) 193.

Energy consumption of agitators in activated sludge tanks - actual state and optimization potential.

PubMed

Füreder, K; Svardal, K; Frey, W; Kroiss, H; Krampe, J

2018-02-01

Depending on design capacity, agitators consume about 5 to 20% of the total energy consumption of a wastewater treatment plant. Based on inhabitant-specific energy consumption (kWh PE 120 -1 a -1 ; PE 120 is population equivalent, assuming 120 g chemical oxygen demand per PE per day), power density (W m -3 ) and volume-specific energy consumption (Wh m -3 d -1 ) as evaluation indicators, this paper provides a sound contribution to understanding energy consumption and energy optimization potentials of agitators. Basically, there are two ways to optimize agitator operation: the reduction of the power density and the reduction of the daily operating time. Energy saving options range from continuous mixing with low power densities of 1 W m -3 to mixing by means of short, intense energy pulses (impulse aeration, impulse stirring). However, the following correlation applies: the shorter the duration of energy input, the higher the power density on the respective volume-specific energy consumption isoline. Under favourable conditions with respect to tank volume, tank geometry, aeration and agitator position, mixing energy can be reduced to 24 Wh m -3 d -1 and below. Additionally, it could be verified that power density of agitators stands in inverse relation to tank volume.

Calibrated energy simulations of potential energy savings in actual retail buildings

NASA Astrophysics Data System (ADS)

Alhafi, Zuhaira

Retail stores are commercial buildings with high energy consumption due to their typically large volumes and long hours of operation. This dissertation assesses heating, ventilating and air conditioning saving strategies based on energy simulations with input parameters from actual retail buildings. The dissertation hypothesis is that "Retail store buildings will save a significant amount of energy by (1) modifying ventilation rates, and/or (2) resetting set point temperatures. These strategies have shown to be beneficial in previous studies. As presented in the literature review, potential energy savings ranged from 0.5% to 30% without compromising indoor thermal comfort and indoor air quality. The retail store buildings can be ventilated at rates significantly lower than rates called for in the ASHRAE Standard 62.1-2010 while maintaining acceptable indoor air quality. Therefore, two dissertation objectives are addressed: (1) Investigate opportunities to reduce ventilation rates that do not compromise indoor air quality in retail stores located in Central Pennsylvania, (2) Investigate opportunities to increase (in summer) and decrease (in winter) set point temperatures that do not compromise thermal comfort. This study conducted experimental measurements of ventilation rates required to maintain acceptable air quality and indoor environmental conditions requirements for two retail stores using ASHRAE Standard 62.1_2012. More specifically, among other parameters, occupancy density, indoor and outdoor pollutant concentrations, and indoor temperatures were measured continuously for one week interval. One of these retail stores were tested four times for a yearlong time period. Pollutants monitored were formaldehyde, carbon dioxide, particle size distributions and concentrations, as well as total volatile organic compounds. As a part of the base protocol, the number of occupants in each store was hourly counted during the test, and the results reveal that the occupant

Assessing the potential for biomass energy development in South Carolina

Treesearch

Roger C. Conner; Tim O. Adams; Tony G. Johnson

2009-01-01

An assessment of the potential for developing a sustainable biomass energy industry in South Carolina was conducted. Biomass as defined by Forest Inventory and Analysis is the aboveground dry weight of wood in the bole and limbs of live trees ≥1-inch diameter at breast height, and excludes tree foliage, seedlings, and understory...

Potential energy hypersurface and molecular flexibility

NASA Astrophysics Data System (ADS)

Koča, Jaroslav

1993-02-01

The molecular flexibility phenomenon is discussed from the conformational potential energy(hyper) surface (PES) point of view. Flexibility is considered as a product of three terms: thermodynamic, kinetic and geometrical. Several expressions characterizing absolute and relative molecular flexibility are introduced, depending on a subspace studied of the entire conformational space, energy level E of PES as well as absolute temperature. Results obtained by programs DAISY, CICADA and PANIC in conjunction with molecular mechanics program MMX for flexibility analysis of isopentane, 2,2-dimethylpentane and isohexane molecules are introduced.

Acoustic Noise Test Report for the U.S. Department of Energy 1.5-Megawatt Wind Turbine

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

Roadman, Jason; Huskey, Arlinda

2015-07-01

A series of tests were conducted to characterize the baseline properties and performance of the U.S. Department of Energy (DOE) 1.5-megawatt wind turbine (DOE 1.5) to enable research model development and quantify the effects of future turbine research modifications. The DOE 1.5 is built on the platform of GE's 1.5-MW SLE commercial wind turbine model. It was installed in a nonstandard configuration at the NWTC with the objective of supporting DOE Wind Program research initiatives such as A2e. Therefore, the test results may not represent the performance capabilities of other GE 1.5-MW SLE turbines. The acoustic noise test documented inmore » this report is one of a series of tests carried out to establish a performance baseline for the DOE 1.5 in the NWTC inflow environment.« less

Biogas from poultry waste-production and energy potential.

PubMed

Dornelas, Karoline Carvalho; Schneider, Roselene Maria; do Amaral, Adriana Garcia

2017-08-01

The objective of this study was to evaluate the effect of heat treatment on poultry litter with different levels of reutilisation for potential generation of biogas in experimental biodigesters. Chicken litter used was obtained from two small-scale poultry houses where 14 birds m -2 were housed for a period of 42 days per cycle. Litter from aviary 1 received no heat treatment while each batch of litter produced from aviary 2 underwent a fermentation process. For each batch taken, two biodigesters were set for each aviary, with hydraulic retention time of 35 days. The efficiency of the biodigestion process was evaluated by biogas production in relation to total solids (TS) added, as well as the potential for power generation. Quantified volumes ranged from 8.9 to 41.1 L of biogas for aviary 1, and 6.7 to 33.9 L of biogas for aviary 2, with the sixth bed reused from both aviaries registering the largest biogas potential. Average potential biogas in m 3  kg -1 of TS added were 0.022 to 0.034 for aviary 1 and 0.015 to 0.022 for aviary 2. Energy values ​​of biogas produced were calculated based on calorific value and ranged from 0.06 to 0.33 kWh for chicken litter without fermentation and from 0.05 to 0.27 kWh for chicken litter with fermentation. It was concluded that the re-use of poultry litter resulted in an increase in biogas production, and the use of fermentation in the microbiological treatment of poultry litter seems to have negatively influenced production of biogas.

80 and 100 Meter Wind Energy Resource Potential for the United States (Poster)

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

Elliott, D.; Schwartz, M.; Haymes, S.

Accurate information about the wind potential in each state is required for federal and state policy initiatives that will expand the use of wind energy in the United States. The National Renewable Energy Laboratory (NREL) and AWS Truewind have collaborated to produce the first comprehensive new state-level assessment of wind resource potential since 1993. The estimates are based on high-resolution maps of predicted mean annual wind speeds for the contiguous 48 states developed by AWS Truewind. These maps, at spatial resolution of 200 meters and heights of 60 to 100 meters, were created with a mesoscale-microscale modeling technique and adjustedmore » to reduce errors through a bias-correction procedure involving data from more than 1,000 measurement masts. NREL used the capacity factor maps to estimate the wind energy potential capacity in megawatts for each state by capacity factor ranges. The purpose of this presentation is to (1) inform state and federal policy makers, regulators, developers, and other stakeholders on the availability of the new wind potential information that may influence development, (2) inform the audience of how the new information was derived, and (3) educate the audience on how the information should be interpreted in developing state and federal policy initiatives.« less

Isoelectronic studies of the 5s/sup 2/ /sup 1/S/sub 0/-5s5p/sup 1,3/P/sub J/ intervals in the Cd sequence

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