Estimating the potential for industrial waste heat reutilization in urban district energy systems: method development and implementation in two Chinese provinces

NASA Astrophysics Data System (ADS)

Tong, Kangkang; Fang, Andrew; Yu, Huajun; Li, Yang; Shi, Lei; Wang, Yangjun; Wang, Shuxiao; Ramaswami, Anu

2017-12-01

Utilizing low-grade waste heat from industries to heat and cool homes and businesses through fourth generation district energy systems (DES) is a novel strategy to reduce energy use. This paper develops a generalizable methodology to estimate the energy saving potential for heating/cooling in 20 cities in two Chinese provinces, representing cold winter and hot summer regions respectively. We also conduct a life-cycle analysis of the new infrastructure required for energy exchange in DES. Results show that heating and cooling energy use reduction from this waste heat exchange strategy varies widely based on the mix of industrial, residential and commercial activities, and climate conditions in cities. Low-grade heat is found to be the dominant component of waste heat released by industries, which can be reused for both district heating and cooling in fourth generation DES, yielding energy use reductions from 12%-91% (average of 58%) for heating and 24%-100% (average of 73%) for cooling energy use in the different cities based on annual exchange potential. Incorporating seasonality and multiple energy exchange pathways resulted in energy savings reductions from 0%-87%. The life-cycle impact of added infrastructure was small (<3% for heating) and 1.9% ~ 6.5% (cooling) of the carbon emissions from fuel use in current heating or cooling systems, indicating net carbon savings. This generalizable approach to delineate waste heat potential can help determine suitable cities for the widespread application of industrial waste heat re-utilization.

Optimized nested Markov chain Monte Carlo sampling: theory

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

Coe, Joshua D; Shaw, M Sam; Sewell, Thomas D

2009-01-01

Metropolis Monte Carlo sampling of a reference potential is used to build a Markov chain in the isothermal-isobaric ensemble. At the endpoints of the chain, the energy is reevaluated at a different level of approximation (the 'full' energy) and a composite move encompassing all of the intervening steps is accepted on the basis of a modified Metropolis criterion. By manipulating the thermodynamic variables characterizing the reference system we maximize the average acceptance probability of composite moves, lengthening significantly the random walk made between consecutive evaluations of the full energy at a fixed acceptance probability. This provides maximally decorrelated samples ofmore » the full potential, thereby lowering the total number required to build ensemble averages of a given variance. The efficiency of the method is illustrated using model potentials appropriate to molecular fluids at high pressure. Implications for ab initio or density functional theory (DFT) treatment are discussed.« less

Assessing the urban solar energy resource potential of Davao City, Philippines, using LiDAR Digital Surface Model (DSM) and GRASS GIS

NASA Astrophysics Data System (ADS)

Teves, Justine; Sola, Eula Fae; Pintor, Ben Hur; Ang, Ma. Rosario Concepcion

2016-10-01

Solar energy is emerging as one of the top options for renewable energy sources in the Philippines, with largescale solar photovoltaic (PV) farms being built all over the country. Solar energy resource in the urban environment has great potential in making a city self-sustaining, but has not been fully explored for the country. In order to represent its potential, reliable resource assessment should be done. This study aims to assess the available solar energy resource in Davao City, a trade and commerce hub in southern Philippines. The functions of GRASS GIS, specifically the r.sun module, in modelling incoming solar radiation is discussed, along with the use of a one-meter LiDAR Digital Surface Model (DSM) and Linke Turbidity coefficients as inputs. The average Julian day of each month was used to compute the Global Horizontal Irradiation (GHI) values under clear-sky or cloudless conditions. To account for the effects of the clouds in the study area, the clear-sky indices (Kc) were computed using data from solar recording stations of the Bureau of Soils and Water Management (BSWM) found within and around the region. These were multiplied to the modelled clear-sky GHI rasters to get the real-sky GHI. The results show that the city's average GHI potential ranges from 2693.79 Wh/m2 and 4453.13 Wh/m2. Average values are particularly higher around the months of March and April, while lower values are seen in the months of November and January. Areas with higher potential are seen in the southern portion of the city, consistent in built-up areas.

Implicit ligand theory for relative binding free energies

NASA Astrophysics Data System (ADS)

Nguyen, Trung Hai; Minh, David D. L.

2018-03-01

Implicit ligand theory enables noncovalent binding free energies to be calculated based on an exponential average of the binding potential of mean force (BPMF)—the binding free energy between a flexible ligand and rigid receptor—over a precomputed ensemble of receptor configurations. In the original formalism, receptor configurations were drawn from or reweighted to the apo ensemble. Here we show that BPMFs averaged over a holo ensemble yield binding free energies relative to the reference ligand that specifies the ensemble. When using receptor snapshots from an alchemical simulation with a single ligand, the new statistical estimator outperforms the original.

Improved Reweighting of Accelerated Molecular Dynamics Simulations for Free Energy Calculation.

PubMed

Miao, Yinglong; Sinko, William; Pierce, Levi; Bucher, Denis; Walker, Ross C; McCammon, J Andrew

2014-07-08

Accelerated molecular dynamics (aMD) simulations greatly improve the efficiency of conventional molecular dynamics (cMD) for sampling biomolecular conformations, but they require proper reweighting for free energy calculation. In this work, we systematically compare the accuracy of different reweighting algorithms including the exponential average, Maclaurin series, and cumulant expansion on three model systems: alanine dipeptide, chignolin, and Trp-cage. Exponential average reweighting can recover the original free energy profiles easily only when the distribution of the boost potential is narrow (e.g., the range ≤20 k B T) as found in dihedral-boost aMD simulation of alanine dipeptide. In dual-boost aMD simulations of the studied systems, exponential average generally leads to high energetic fluctuations, largely due to the fact that the Boltzmann reweighting factors are dominated by a very few high boost potential frames. In comparison, reweighting based on Maclaurin series expansion (equivalent to cumulant expansion on the first order) greatly suppresses the energetic noise but often gives incorrect energy minimum positions and significant errors at the energy barriers (∼2-3 k B T). Finally, reweighting using cumulant expansion to the second order is able to recover the most accurate free energy profiles within statistical errors of ∼ k B T, particularly when the distribution of the boost potential exhibits low anharmonicity (i.e., near-Gaussian distribution), and should be of wide applicability. A toolkit of Python scripts for aMD reweighting "PyReweighting" is distributed free of charge at http://mccammon.ucsd.edu/computing/amdReweighting/.

Improved Reweighting of Accelerated Molecular Dynamics Simulations for Free Energy Calculation

PubMed Central

2015-01-01

Accelerated molecular dynamics (aMD) simulations greatly improve the efficiency of conventional molecular dynamics (cMD) for sampling biomolecular conformations, but they require proper reweighting for free energy calculation. In this work, we systematically compare the accuracy of different reweighting algorithms including the exponential average, Maclaurin series, and cumulant expansion on three model systems: alanine dipeptide, chignolin, and Trp-cage. Exponential average reweighting can recover the original free energy profiles easily only when the distribution of the boost potential is narrow (e.g., the range ≤20kBT) as found in dihedral-boost aMD simulation of alanine dipeptide. In dual-boost aMD simulations of the studied systems, exponential average generally leads to high energetic fluctuations, largely due to the fact that the Boltzmann reweighting factors are dominated by a very few high boost potential frames. In comparison, reweighting based on Maclaurin series expansion (equivalent to cumulant expansion on the first order) greatly suppresses the energetic noise but often gives incorrect energy minimum positions and significant errors at the energy barriers (∼2–3kBT). Finally, reweighting using cumulant expansion to the second order is able to recover the most accurate free energy profiles within statistical errors of ∼kBT, particularly when the distribution of the boost potential exhibits low anharmonicity (i.e., near-Gaussian distribution), and should be of wide applicability. A toolkit of Python scripts for aMD reweighting “PyReweighting” is distributed free of charge at http://mccammon.ucsd.edu/computing/amdReweighting/. PMID:25061441

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.

N(2)O in small para-hydrogen clusters: Structures and energetics.

PubMed

Zhu, Hua; Xie, Daiqian

2009-04-30

We present the minimum-energy structures and energetics of clusters of the linear N(2)O molecule with small numbers of para-hydrogen molecules with pairwise additive potentials. Interaction energies of (p-H(2))-N(2)O and (p-H(2))-(p-H(2)) complexes were calculated by averaging the corresponding full-dimensional potentials over the H(2) angular coordinates. The averaged (p-H(2))-N(2)O potential has three minima corresponding to the T-shaped and the linear (p-H(2))-ONN and (p-H(2))-NNO structures. Optimization of the minimum-energy structures was performed using a Genetic Algorithm. It was found that p-H(2) molecules fill three solvation rings around the N(2)O axis, each of them containing up to five p-H(2) molecules, followed by accumulation of two p-H(2) molecules at the oxygen and nitrogen ends. The first solvation shell is completed at N = 17. The calculated chemical potential oscillates with cluster size up to the completed first solvation shell. These results are consistent with the available experimental measurements. (c) 2009 Wiley Periodicals, Inc.

Revisiting the definition of the electronic chemical potential, chemical hardness, and softness at finite temperatures

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

Franco-Pérez, Marco, E-mail: qimfranco@hotmail.com, E-mail: jlgm@xanum.uam.mx; Department of Chemistry, McMaster University, Hamilton, Ontario L8S 4M1; Gázquez, José L., E-mail: qimfranco@hotmail.com, E-mail: jlgm@xanum.uam.mx

We extend the definition of the electronic chemical potential (μ{sub e}) and chemical hardness (η{sub e}) to finite temperatures by considering a reactive chemical species as a true open system to the exchange of electrons, working exclusively within the framework of the grand canonical ensemble. As in the zero temperature derivation of these descriptors, the response of a chemical reagent to electron-transfer is determined by the response of the (average) electronic energy of the system, and not by intrinsic thermodynamic properties like the chemical potential of the electron-reservoir which is, in general, different from the electronic chemical potential, μ{sub e}.more » Although the dependence of the electronic energy on electron number qualitatively resembles the piecewise-continuous straight-line profile for low electronic temperatures (up to ca. 5000 K), the introduction of the temperature as a free variable smoothens this profile, so that derivatives (of all orders) of the average electronic energy with respect to the average electron number exist and can be evaluated analytically. Assuming a three-state ensemble, well-known results for the electronic chemical potential at negative (−I), positive (−A), and zero values of the fractional charge (−(I + A)/2) are recovered. Similarly, in the zero temperature limit, the chemical hardness is formally expressed as a Dirac delta function in the particle number and satisfies the well-known reciprocity relation with the global softness.« less

Wave Energy Prize - 1/20th Testing - Sea Potential

DOE Data Explorer

Scharmen, Wesley

2016-09-23

Data from the 1/20th scale testing data completed on the Wave Energy Prize for the Sea Potential team, including the 1/20th scale test plan, raw test data, video, photos, and data analysis results. The top level objective of the 1/20th scale device testing is to obtain the necessary measurements required for determining Average Climate Capture Width per Characteristic Capital Expenditure (ACE) and the Hydrodynamic Performance Quality (HPQ), key metrics for determining the Wave Energy Prize (WEP) winners.

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

Shen, Bo; Baxter, Van D.; Rice, C. Keith

For this study, we authored a new air source integrated heat pump (AS-IHP) model in EnergyPlus, and conducted building energy simulations to demonstrate greater than 50% average energy savings, in comparison to a baseline heat pump with electric water heater, over 10 US cities, based on the EnergyPlus quick-service restaurant template building. We also assessed water heating energy saving potentials using ASIHP versus gas heating, and pointed out climate zones where AS-IHPs are promising.

Chemical Dynamics Simulations of Intermolecular Energy Transfer: Azulene + N2 Collisions.

PubMed

Kim, Hyunsik; Paul, Amit K; Pratihar, Subha; Hase, William L

2016-07-14

Chemical dynamics simulations were performed to investigate collisional energy transfer from highly vibrationally excited azulene (Az*) in a N2 bath. The intermolecular potential between Az and N2, used for the simulations, was determined from MP2/6-31+G* ab initio calculations. Az* is prepared with an 87.5 kcal/mol excitation energy by using quantum microcanonical sampling, including its 95.7 kcal/mol zero-point energy. The average energy of Az* versus time, obtained from the simulations, shows different rates of Az* deactivation depending on the N2 bath density. Using the N2 bath density and Lennard-Jones collision number, the average energy transfer per collision ⟨ΔEc⟩ was obtained for Az* as it is collisionally relaxed. By comparing ⟨ΔEc⟩ versus the bath density, the single collision limiting density was found for energy transfer. The resulting ⟨ΔEc⟩, for an 87.5 kcal/mol excitation energy, is 0.30 ± 0.01 and 0.32 ± 0.01 kcal/mol for harmonic and anharmonic Az potentials, respectively. For comparison, the experimental value is 0.57 ± 0.11 kcal/mol. During Az* relaxation there is no appreciable energy transfer to Az translation and rotation, and the energy transfer is to the N2 bath.

Electron energy distribution function in the divertor region of the COMPASS tokamak during neutral beam injection heating

NASA Astrophysics Data System (ADS)

Hasan, E.; Dimitrova, M.; Havlicek, J.; Mitošinková, K.; Stöckel, J.; Varju, J.; Popov, Tsv K.; Komm, M.; Dejarnac, R.; Hacek, P.; Panek, R.; the COMPASS Team

2018-02-01

This paper presents the results from swept probe measurements in the divertor region of the COMPASS tokamak in D-shaped, L-mode discharges, with toroidal magnetic field BT = 1.15 T, plasma current Ip = 180 kA and line-average electron densities varying from 2 to 8×1019 m-3. Using neutral beam injection heating, the electron energy distribution function is studied before and during the application of the beam. The current-voltage characteristics data are processed using the first-derivative probe technique. This technique allows one to evaluate the plasma potential and the real electron energy distribution function (respectively, the electron temperatures and densities). At the low average electron density of 2×1019 m-3, the electron energy distribution function is bi-Maxwellian with a low-energy electron population with temperatures 4-6 eV and a high-energy electron group 12-25 eV. As the line-average electron density is increased, the electron temperatures decrease. At line-average electron densities above 7×1019 m-3, the electron energy distribution function is found to be Maxwellian with a temperature of 6-8.5 eV. The effect of the neutral beam injection heating power in the divertor region is also studied.

Photoinduced diffusion molecular transport

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

Rozenbaum, Viktor M., E-mail: vik-roz@mail.ru, E-mail: litrakh@gmail.com; Dekhtyar, Marina L.; Lin, Sheng Hsien

2016-08-14

We consider a Brownian photomotor, namely, the directed motion of a nanoparticle in an asymmetric periodic potential under the action of periodic rectangular resonant laser pulses which cause charge redistribution in the particle. Based on the kinetics for the photoinduced electron redistribution between two or three energy levels of the particle, the time dependence of its potential energy is derived and the average directed velocity is calculated in the high-temperature approximation (when the spatial amplitude of potential energy fluctuations is small relative to the thermal energy). The thus developed theory of photoinduced molecular transport appears applicable not only to conventionalmore » dichotomous Brownian motors (with only two possible potential profiles) but also to a much wider variety of molecular nanomachines. The distinction between the realistic time dependence of the potential energy and that for a dichotomous process (a step function) is represented in terms of relaxation times (they can differ on the time intervals of the dichotomous process). As shown, a Brownian photomotor has the maximum average directed velocity at (i) large laser pulse intensities (resulting in short relaxation times on laser-on intervals) and (ii) excited state lifetimes long enough to permit efficient photoexcitation but still much shorter than laser-off intervals. A Brownian photomotor with optimized parameters is exemplified by a cylindrically shaped semiconductor nanocluster which moves directly along a polar substrate due to periodically photoinduced dipole moment (caused by the repetitive excited electron transitions to a non-resonant level of the nanocylinder surface impurity).« less

Spatial averaging for small molecule diffusion in condensed phase environments

NASA Astrophysics Data System (ADS)

Plattner, Nuria; Doll, J. D.; Meuwly, Markus

2010-07-01

Spatial averaging is a new approach for sampling rare-event problems. The approach modifies the importance function which improves the sampling efficiency while keeping a defined relation to the original statistical distribution. In this work, spatial averaging is applied to multidimensional systems for typical problems arising in physical chemistry. They include (I) a CO molecule diffusing on an amorphous ice surface, (II) a hydrogen molecule probing favorable positions in amorphous ice, and (III) CO migration in myoglobin. The systems encompass a wide range of energy barriers and for all of them spatial averaging is found to outperform conventional Metropolis Monte Carlo. It is also found that optimal simulation parameters are surprisingly similar for the different systems studied, in particular, the radius of the point cloud over which the potential energy function is averaged. For H2 diffusing in amorphous ice it is found that facile migration is possible which is in agreement with previous suggestions from experiment. The free energy barriers involved are typically lower than 1 kcal/mol. Spatial averaging simulations for CO in myoglobin are able to locate all currently characterized metastable states. Overall, it is found that spatial averaging considerably improves the sampling of configurational space.

Energy diffusion controlled reaction rate of reacting particle driven by broad-band noise

NASA Astrophysics Data System (ADS)

Deng, M. L.; Zhu, W. Q.

2007-10-01

The energy diffusion controlled reaction rate of a reacting particle with linear weak damping and broad-band noise excitation is studied by using the stochastic averaging method. First, the stochastic averaging method for strongly nonlinear oscillators under broad-band noise excitation using generalized harmonic functions is briefly introduced. Then, the reaction rate of the classical Kramers' reacting model with linear weak damping and broad-band noise excitation is investigated by using the stochastic averaging method. The averaged Itô stochastic differential equation describing the energy diffusion and the Pontryagin equation governing the mean first-passage time (MFPT) are established. The energy diffusion controlled reaction rate is obtained as the inverse of the MFPT by solving the Pontryagin equation. The results of two special cases of broad-band noises, i.e. the harmonic noise and the exponentially corrected noise, are discussed in details. It is demonstrated that the general expression of reaction rate derived by the authors can be reduced to the classical ones via linear approximation and high potential barrier approximation. The good agreement with the results of the Monte Carlo simulation verifies that the reaction rate can be well predicted using the stochastic averaging method.

Quantum close coupling calculation of transport and relaxation properties for Hg-H2 system

NASA Astrophysics Data System (ADS)

Nemati-Kande, Ebrahim; Maghari, Ali

2016-11-01

Quantum mechanical close coupling calculation of the state-to-state transport and relaxation cross sections have been done for Hg-H2 molecular system using a high-level ab initio potential energy surface. Rotationally averaged cross sections were also calculated to obtain the energy dependent Senftleben-Beenakker cross sections at the energy range of 0.005-25,000 cm-1. Boltzmann averaging of the energy dependent Senftleben-Beenakker cross sections showed the temperature dependency over a wide temperature range of 50-2500 K. Interaction viscosity and diffusion coefficients were also calculated using close coupling cross sections and full classical Mason-Monchick approximation. The results were compared with each other and with the available experimental data. It was found that Mason-Monchick approximation for viscosity is more reliable than diffusion coefficient. Furthermore, from the comparison of the experimental diffusion coefficients with the result of the close coupling and Mason-Monchick approximation, it was found that the Hg-H2 potential energy surface used in this work can reliably predict diffusion coefficient data.

Bound state potential energy surface construction: ab initio zero-point energies and vibrationally averaged rotational constants.

PubMed

Bettens, Ryan P A

2003-01-15

Collins' method of interpolating a potential energy surface (PES) from quantum chemical calculations for reactive systems (Jordan, M. J. T.; Thompson, K. C.; Collins, M. A. J. Chem. Phys. 1995, 102, 5647. Thompson, K. C.; Jordan, M. J. T.; Collins, M. A. J. Chem. Phys. 1998, 108, 8302. Bettens, R. P. A.; Collins, M. A. J. Chem. Phys. 1999, 111, 816) has been applied to a bound state problem. The interpolation method has been combined for the first time with quantum diffusion Monte Carlo calculations to obtain an accurate ground state zero-point energy, the vibrationally average rotational constants, and the vibrationally averaged internal coordinates. In particular, the system studied was fluoromethane using a composite method approximating the QCISD(T)/6-311++G(2df,2p) level of theory. The approach adopted in this work (a) is fully automated, (b) is fully ab initio, (c) includes all nine nuclear degrees of freedom, (d) requires no assumption of the functional form of the PES, (e) possesses the full symmetry of the system, (f) does not involve fitting any parameters of any kind, and (g) is generally applicable to any system amenable to quantum chemical calculations and Collins' interpolation method. The calculated zero-point energy agrees to within 0.2% of its current best estimate. A0 and B0 are within 0.9 and 0.3%, respectively, of experiment.

Subsurface Thermal Energy Storage for Improved Air Conditioning Efficiency

DTIC Science & Technology

2016-11-01

current cost liability is the potential for several significant structural changes at DoD facilities around the world. These challenges include... climate , with an average high temperature of 90 degrees in July, and an average low temperature of 39 in January. The annual average temperature is 65.6...in new systems. The first three steps are recommended for every geothermal system installed in cooling dominated areas ( climatically hot areas such

The gravitational potential energy regeneration system with closed-circuit of boom of hydraulic excavator

NASA Astrophysics Data System (ADS)

Chen, Mingdong; Zhao, Dingxuan

2017-01-01

Considering the disadvantage of higher throttling loss for the open-circuit hydrostatic transmission at present, a novel gravitational potential energy regeneration system (GPERS) of the boom of hydraulic excavator, namely the closed-circuit GPERS, is proposed in this paper. The closed-circuit GPERS is based on a closed-circuit hydrostatic transmission and adopts a hydraulic accumulator as main energy storage element fabricated in novel configuration to recover the entire gravitational potential energy of the boom of hydraulic excavator. The matching parameter and control system design are carried out for the proposed system, and the system is modeled based on its physical attributes. Simulation and experiments are performed to validate the employed mathematical models, and then, the velocity and the pressure performance of system are analyzed. It is observed that the closed-circuit GPERS shows better velocity control of the boom and response characteristics. After that, the average working efficiency of the closed-circuit GPERS of boom is estimated under different load conditions. The results indicate that the proposed system is highly effective and that the average working efficiency in different load conditions varied from 60% to 68.2% for the experiment platform.

Geothermal development plan: Cochise/Santa Cruz Counties

NASA Astrophysics Data System (ADS)

White, D. H.; Goldstone, L. A.

1982-08-01

The regional market potential for utilizing geothermal energy was evaluated. Three potential geothermal resource areas with potential for resource temperatures less than 900C (1940F) were identified. Population growth rates are expected to average 3% per year over the next 30 years in Willcox; Bowie and San Simon are expected to grow much slower. Regional employment is based on agriculture and copper mining, though future growth in trade, services and international trade is expected. A regional energy use analysis is included. Urban use, copper mining and agriculture are the principal water users in the region and substantial reductions in water use are anticipated in the future. The development plan identifies potential geothermal energy users in the region. Geothermal energy utilization projections suggest that by the year 2000, geothermal energy might economically provide the energy equivalent of 3,250,000 barrels of oil per year to the industrial sector. In addition, geothermal energy utilization might help stimulate an agricultural and livestock processing industry.

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 household energy use and greenhouse gas emissions through DERs.« less

On the v-representability of ensemble densities of electron systems

NASA Astrophysics Data System (ADS)

Gonis, A.; Däne, M.

2018-05-01

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

On the v-representability of ensemble densities of electron systems

DOE PAGES

Gonis, A.; Dane, M.

2017-12-30

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

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.

MITHRAS: A Program of Simultaneous Radar Observations of the High-Latitude Auroral Zone.

DTIC Science & Technology

1982-11-01

Latitude * and Time for Chatanika ..... ................. ... 38 111-5 Cross Polar Cap Potential Versus Solar-Wind Energy Parameter...49 vii 9 III-10 Scatter Plot of Pedersen Conductivities as a Function of Average Energy for Two Levels of Total...Precipitated Energy ....... ....... ......... .. 51 -IIl-1 For Initial Time and Steady State, (a) Latitudinal Profile of the Meridional Electric-Field

Hauser-Feshbach fission fragment de-excitation with calculated macroscopic-microscopic mass yields

NASA Astrophysics Data System (ADS)

Jaffke, Patrick; Möller, Peter; Talou, Patrick; Sierk, Arnold J.

2018-03-01

The Hauser-Feshbach statistical model is applied to the de-excitation of primary fission fragments using input mass yields calculated with macroscopic-microscopic models of the potential energy surface. We test the sensitivity of the prompt fission observables to the input mass yields for two important reactions, 235U(nth,f ) and 239Pu(nth,f ) , for which good experimental data exist. General traits of the mass yields, such as the location of the peaks and their widths, can impact both the prompt neutron and γ -ray multiplicities, as well as their spectra. Specifically, we use several mass yields to determine a linear correlation between the calculated prompt neutron multiplicity ν ¯ and the average heavy-fragment mass 〈Ah〉 of the input mass yields ∂ ν ¯/∂ 〈Ah〉 =±0.1 (n /f ) /u . The mass peak width influences the correlation between the total kinetic energy of the fission fragments and the total number of prompt neutrons emitted, ν¯T(TKE ) . Typical biases on prompt particle observables from using calculated mass yields instead of experimental ones are δ ν ¯=4 % for the average prompt neutron multiplicity, δ M ¯γ=1 % for the average prompt γ -ray multiplicity, δ ɛ¯nLAB=1 % for the average outgoing neutron energy, δ ɛ¯γ=1 % for the average γ -ray energy, and δ 〈TKE 〉=0.4 % for the average total kinetic energy of the fission fragments.

Smart energy management system

NASA Astrophysics Data System (ADS)

Desai, Aniruddha; Singh, Jugdutt

2010-04-01

Peak and average energy usage in domestic and industrial environments is growing rapidly and absence of detailed energy consumption metrics is making systematic reduction of energy usage very difficult. Smart energy management system aims at providing a cost-effective solution for managing soaring energy consumption and its impact on green house gas emissions and climate change. The solution is based on seamless integration of existing wired and wireless communication technologies combined with smart context-aware software which offers a complete solution for automation of energy measurement and device control. The persuasive software presents users with easy-to-assimilate visual cues identifying problem areas and time periods and encourages a behavioural change to conserve energy. The system allows analysis of real-time/statistical consumption data with the ability to drill down into detailed analysis of power consumption, CO2 emissions and cost. The system generates intelligent projections and suggests potential methods (e.g. reducing standby, tuning heating/cooling temperature, etc.) of reducing energy consumption. The user interface is accessible using web enabled devices such as PDAs, PCs, etc. or using SMS, email, and instant messaging. Successful real-world trial of the system has demonstrated the potential to save 20 to 30% energy consumption on an average. Low cost of deployment and the ability to easily manage consumption from various web enabled devices offers gives this system a high penetration and impact capability offering a sustainable solution to act on climate change today.

A study on spectral energy for the end of the twentieth century the basis of the NCEP reanalysis-II

NASA Astrophysics Data System (ADS)

Aranha, A. F.; Veiga, J. A.; Yoshida, M. C.

2013-05-01

The energy cycle proposed by Lorenz (1955) is composed of the behavior of the average energy from the atmosphere and characteristics of atmospheric energy deviations from this average, respectively called basic state and perturbed state. However, it is possible to discretize the energy contained in the atmosphere disturbed state, decomposing the fields of the various disturbances or harmonics wave type, so as to measure and analyze the energy of these disorders according to their number or wavelength, this methodology described second Saltzman (1957). Therefore, in view of the spectral analysis as a methodological basis, this work aims to study the energy contained by the atmosphere in disturbed state. Considering the terms of power generation potential available for nth waves due to diabatic heating, represented by (G(n)), potential energy of nth wave (P(n)) and kinetic energy of nth wave (K(n)) and the conversion of energy between the energy nth kinetic and potential energy of waves nth waves given by (C(n)). The variables used in the calculation of the terms above are, temperature (T) orthogonal components of the wind (u, v, w) and geopotential height (G) from a data set from the National Center for Environmental Prediction (NCEP) considering daily shared values on a regular grid with a spatial resolution of 2.5° × 2.5°, distributed in 12 pressure levels (1000, 925, 850, 700, 600, 500, 400, 300, 250, 200, 150, 100 hPa ) for the 1970 to 1999 period. The results show that for kinetic energy of disturbance to nth wave, the amount of energy is somewhat dammed during for the first 10 wave numbers in this range are the planetary waves and waves. Observing this way, we can conclude that these waves are responsible for much of the kinetic energy in disturbed state. A characteristic and a difference in the distribution of energy between kinetic energy and potential energy disturbed total available to disturbance, is the derivative of the energy wavenumber presented by P(n) as a derivative smoother, showing that the cascade potential energy no great leaps in energy between wavenumbers 10 onwards. The term conversion in potential energy of the disturbed state P(n) into kinetic energy of disorders K(n) reorensented by C(n) reveals important features in the energy spectrum. According to the results, the seasonal climatology of C(n), we note that the potential energy of the disturbed state feeds both the planetary waves and intermediate waves as synoptic scale. However, the production of kinetic energy of the waves from the energy potential of the perturbed state is greater for wavelengths larger or smaller number of waves. Note also that this term varies widely throughout the seasons. Importantly, negative values of C(n) are likely to occur, which would represent the conversion of kinetic energy into potential energy of the waves of the basic state. The values of the term climatological power generation potential available to nth waves due to diabatic heating, represented by G(n). The results show that the wavelength ranges 1 to 15 are primarily given for converting potential energy into kinetic energy.

Time-averaged exposures to 220Rn and 222Rn progeny in Colorado homes.

PubMed

Martz, D E; Falco, R J; Langner, G H

1990-06-01

Week-long time-averaged exposures to naturally occurring 220Rn and 222Rn progeny have been measured at several locations in Colorado by monitoring the alpha activity collected continuously on a fixed-membrane filter. The alpha-energy spectrum associated with the activity collected on the filter was recorded every 15 min using a microcomputer-controlled alpha spectrometer. The alpha counts observed in three energy regions permitted complete separation of the contributions from each decay chain, and calculation of the separate time-averaged potential alpha-energy concentrations in air from 220Rn progeny, PAEC(Tn), and from 222Rn progeny, PAEC(Rn). The time-averaged PAEC(Tn) ranged from 0.3 to 6.9 mWL at 12 indoor locations, and the time-averaged PAEC(Rn) ranged from 1.0 to 59.0 mWL. The ratios of the indoor PAEC(Tn) to indoor PAEC(Rn) ranged from 0.09 to 0.58, with an overall average ratio of 0.32 and a standard deviation of 0.15. The 10 L min-1 flow rate through the filter was selected to approximate the air intake rate of a resting human; the time-averaged PAEC thus represents the progeny concentrations that would have been inhaled by a person breathing the same atmosphere.

Testing the nonlocal kinetic energy functional of an inhomogeneous, two-dimensional degenerate Fermi gas within the average density approximation

NASA Astrophysics Data System (ADS)

Towers, J.; van Zyl, B. P.; Kirkby, W.

2015-08-01

In a recent paper [B. P. van Zyl et al., Phys. Rev. A 89, 022503 (2014), 10.1103/PhysRevA.89.022503], the average density approximation (ADA) was implemented to develop a parameter-free, nonlocal kinetic energy functional to be used in the orbital-free density functional theory of an inhomogeneous, two-dimensional (2D) Fermi gas. In this work, we provide a detailed comparison of self-consistent calculations within the ADA with the exact results of the Kohn-Sham density functional theory and the elementary Thomas-Fermi (TF) approximation. We demonstrate that the ADA for the 2D kinetic energy functional works very well under a wide variety of confinement potentials, even for relatively small particle numbers. Remarkably, the TF approximation for the kinetic energy functional, without any gradient corrections, also yields good agreement with the exact kinetic energy for all confining potentials considered, although at the expense of the spatial and kinetic energy densities exhibiting poor pointwise agreement, particularly near the TF radius. Our findings illustrate that the ADA kinetic energy functional yields accurate results for both the local and global equilibrium properties of an inhomogeneous 2D Fermi gas, without the need for any fitting parameters.

Stresses and elastic constants of crystalline sodium, from molecular dynamics

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

Schiferl, S.K.

1985-02-01

The stresses and the elastic constants of bcc sodium are calculated by molecular dynamics (MD) for temperatures to T = 340K. The total adiabatic potential of a system of sodium atoms is represented by pseudopotential model. The resulting expression has two terms: a large, strictly volume-dependent potential, plus a sum over ion pairs of a small, volume-dependent two-body potential. The stresses and the elastic constants are given as strain derivatives of the Helmholtz free energy. The resulting expressions involve canonical ensemble averages (and fluctuation averages) of the position and volume derivatives of the potential. An ensemble correction relates the resultsmore » to MD equilibrium averages. Evaluation of the potential and its derivatives requires the calculation of integrals with infinite upper limits of integration, and integrand singularities. Methods for calculating these integrals and estimating the effects of integration errors are developed. A method is given for choosing initial conditions that relax quickly to a desired equilibrium state. Statistical methods developed earlier for MD data are extended to evaluate uncertainties in fluctuation averages, and to test for symmetry. 45 refs., 10 figs., 4 tabs.« less

Ocean Wave Energy Estimation Using Active Satellite Imagery as a Solution of Energy Scarce in Indonesia Case Study: Poteran Island's Water, Madura

NASA Astrophysics Data System (ADS)

Nadzir, Z. A.; Karondia, L. A.; Jaelani, L. M.; Sulaiman, A.; Pamungkas, A.; Koenhardono, E. S.; Sulisetyono, A.

2015-10-01

Ocean wave energy is one of the ORE (Ocean Renewable Energies) sources, which potential, in which this energy has several advantages over fossil energy and being one of the most researched energy in developed countries nowadays. One of the efforts for mapping ORE potential is by computing energy potential generated from ocean wave, symbolized by Watt per area unit using various methods of observation. SAR (Synthetic Aperture Radar) is one of the hyped and most developed Remote Sensing method used to monitor and map the ocean wave energy potential effectively and fast. SAR imagery processing can be accomplished not only in remote sensing data applications, but using Matrices processing application as well such as MATLAB that utilizing Fast Fourier Transform and Band-Pass Filtering methods undergoing Pre-Processing stage. In this research, the processing and energy estimation from ALOSPALSAR satellite imagery acquired on the 5/12/2009 was accomplished using 2 methods (i.e Magnitude and Wavelength). This resulted in 9 potential locations of ocean wave energy between 0-228 W/m2, and 7 potential locations with ranged value between 182-1317 W/m2. After getting through buffering process with value of 2 km (to facilitate the construction of power plant installation), 9 sites of location were estimated to be the most potential location of ocean wave energy generation in the ocean with average depth of 8.058 m and annual wind speed of 6.553 knot.

Public willingness to pay for a US carbon tax and preferences for spending the revenue

NASA Astrophysics Data System (ADS)

Kotchen, Matthew J.; Turk, Zachary M.; Leiserowitz, Anthony A.

2017-09-01

We provide evidence from a nationally representative survey on Americans’ willingness to pay (WTP) for a carbon tax, and public preferences for how potential carbon-tax revenue should be spent. The average WTP for a tax on fossil fuels that increases household energy bills is US177 per year. This translates into an average WTP of 14% more on average for households across the United States, where energy costs differ significantly across states. Regarding the tax revenues, Americans are most in support of using the money to invest in clean energy and infrastructure. There is relatively less support for reducing income or payroll taxes, returning dividends to households, and other expenditure categories. Finally, Americans support using the tax revenues to assist displaced workers in the coal industry enough to compensate each miner nearly US146 000 upon passage of a carbon tax.

Performance evaluation of an anaerobic/aerobic landfill-based digester using yard waste for energy and compost production

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

Yazdani, Ramin, E-mail: ryazdani@sbcglobal.net; Civil and Environmental Engineering, University of California, One Shields Avenue, Ghausi Hall, Davis, CA 95616; Barlaz, Morton A., E-mail: barlaz@eos.ncsu.edu

2012-05-15

Highlights: Black-Right-Pointing-Pointer Biochemical methane potential decreased by 83% during the two-stage operation. Black-Right-Pointing-Pointer Net energy produced was 84.3 MWh or 46 kWh per million metric tons (Mg). Black-Right-Pointing-Pointer The average removal efficiency of volatile organic compounds (VOCs) was 96-99%. Black-Right-Pointing-Pointer The average removal efficiency of non-methane organic compounds (NMOCs) was 68-99%. Black-Right-Pointing-Pointer The two-stage batch digester proved to be simple to operate and cost-effective. - Abstract: The objective of this study was to evaluate a new alternative for yard waste management by constructing, operating and monitoring a landfill-based two-stage batch digester (anaerobic/aerobic) with the recovery of energy and compost. Themore » system was initially operated under anaerobic conditions for 366 days, after which the yard waste was aerated for an additional 191 days. Off gas generated from the aerobic stage was treated by biofilters. Net energy recovery was 84.3 MWh, or 46 kWh per million metric tons of wet waste (as received), and the biochemical methane potential of the treated waste decreased by 83% during the two-stage operation. The average removal efficiencies of volatile organic compounds and non-methane organic compounds in the biofilters were 96-99% and 68-99%, respectively.« less

Effective homogeneity of the exchange-correlation and non-interacting kinetic energy functionals under density scaling.

PubMed

Borgoo, Alex; Teale, Andrew M; Tozer, David J

2012-01-21

Correlated electron densities, experimental ionisation potentials, and experimental electron affinities are used to investigate the homogeneity of the exchange-correlation and non-interacting kinetic energy functionals of Kohn-Sham density functional theory under density scaling. Results are presented for atoms and small molecules, paying attention to the influence of the integer discontinuity and the choice of the electron affinity. For the exchange-correlation functional, effective homogeneities are highly system-dependent on either side of the integer discontinuity. By contrast, the average homogeneity-associated with the potential that averages over the discontinuity-is generally close to 4/3 when the discontinuity is computed using positive affinities for systems that do bind an excess electron and negative affinities for those that do not. The proximity to 4/3 becomes increasingly pronounced with increasing atomic number. Evaluating the discontinuity using a zero affinity in systems that do not bind an excess electron instead leads to effective homogeneities on the electron abundant side that are close to 4/3. For the non-interacting kinetic energy functional, the effective homogeneities are less system-dependent and the effect of the integer discontinuity is less pronounced. Average values are uniformly below 5/3. The study provides information that may aid the development of improved exchange-correlation and non-interacting kinetic energy functionals. © 2012 American Institute of Physics

Predicting Energy Consumption for Potential Effective Use in Hybrid Vehicle Powertrain Management Using Driver Prediction

NASA Astrophysics Data System (ADS)

Magnuson, Brian

A proof-of-concept software-in-the-loop study is performed to assess the accuracy of predicted net and charge-gaining energy consumption for potential effective use in optimizing powertrain management of hybrid vehicles. With promising results of improving fuel efficiency of a thermostatic control strategy for a series, plug-ing, hybrid-electric vehicle by 8.24%, the route and speed prediction machine learning algorithms are redesigned and implemented for real- world testing in a stand-alone C++ code-base to ingest map data, learn and predict driver habits, and store driver data for fast startup and shutdown of the controller or computer used to execute the compiled algorithm. Speed prediction is performed using a multi-layer, multi-input, multi- output neural network using feed-forward prediction and gradient descent through back- propagation training. Route prediction utilizes a Hidden Markov Model with a recurrent forward algorithm for prediction and multi-dimensional hash maps to store state and state distribution constraining associations between atomic road segments and end destinations. Predicted energy is calculated using the predicted time-series speed and elevation profile over the predicted route and the road-load equation. Testing of the code-base is performed over a known road network spanning 24x35 blocks on the south hill of Spokane, Washington. A large set of training routes are traversed once to add randomness to the route prediction algorithm, and a subset of the training routes, testing routes, are traversed to assess the accuracy of the net and charge-gaining predicted energy consumption. Each test route is traveled a random number of times with varying speed conditions from traffic and pedestrians to add randomness to speed prediction. Prediction data is stored and analyzed in a post process Matlab script. The aggregated results and analysis of all traversals of all test routes reflect the performance of the Driver Prediction algorithm. The error of average energy gained through charge-gaining events is 31.3% and the error of average net energy consumed is 27.3%. The average delta and average standard deviation of the delta of predicted energy gained through charge-gaining events is 0.639 and 0.601 Wh respectively for individual time-series calculations. Similarly, the average delta and average standard deviation of the delta of the predicted net energy consumed is 0.567 and 0.580 Wh respectively for individual time-series calculations. The average delta and standard deviation of the delta of the predicted speed is 1.60 and 1.15 respectively also for the individual time-series measurements. The percentage of accuracy of route prediction is 91%. Overall, test routes are traversed 151 times for a total test distance of 276.4 km.

Hauser-Feshbach fission fragment de-excitation with calculated macroscopic-microscopic mass yields

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

Jaffke, Patrick John; Talou, Patrick; Sierk, Arnold John

The Hauser-Feshbach statistical model is applied to the de-excitation of primary fission fragments using input mass yields calculated with macroscopic-microscopic models of the potential energy surface. We test the sensitivity of the prompt fission observables to the input mass yields for two important reactions, 235U (n th, f) and 239Pu (n th, f) , for which good experimental data exist. General traits of the mass yields, such as the location of the peaks and their widths, can impact both the prompt neutron and γ-ray multiplicities, as well as their spectra. Specifically, we use several mass yields to determine a linear correlation between the calculated prompt neutron multiplicitymore » $$\\bar{v}$$ and the average heavy-fragment mass $$\\langle$$A h$$\\rangle$$ of the input mass yields ∂$$\\bar{v}$$/∂ $$\\langle$$A h$$\\rangle$$ = ± 0.1 (n / f )/u . The mass peak width influences the correlation between the total kinetic energy of the fission fragments and the total number of prompt neutrons emitted, $$\\bar{v}_T$$ ( TKE ) . Finally, typical biases on prompt particle observables from using calculated mass yields instead of experimental ones are δ$$\\bar{v}$$ = 4 % for the average prompt neutron multiplicity, δ$$\\overline{M}_γ$$ = 1% for the average prompt γ-ray multiplicity, δ$$\\bar{ε}$$ $$LAB\\atop{n}$$ = 1 % for the average outgoing neutron energy, δ$$\\bar{ε}_γ$$ = 1 % for the average γ-ray energy, and δ $$\\langle$$TKE$$\\rangle$$ = 0.4 % for the average total kinetic energy of the fission fragments.« less

Hauser-Feshbach fission fragment de-excitation with calculated macroscopic-microscopic mass yields

DOE PAGES

Jaffke, Patrick John; Talou, Patrick; Sierk, Arnold John; ...

2018-03-15

The Hauser-Feshbach statistical model is applied to the de-excitation of primary fission fragments using input mass yields calculated with macroscopic-microscopic models of the potential energy surface. We test the sensitivity of the prompt fission observables to the input mass yields for two important reactions, 235U (n th, f) and 239Pu (n th, f) , for which good experimental data exist. General traits of the mass yields, such as the location of the peaks and their widths, can impact both the prompt neutron and γ-ray multiplicities, as well as their spectra. Specifically, we use several mass yields to determine a linear correlation between the calculated prompt neutron multiplicitymore » $$\\bar{v}$$ and the average heavy-fragment mass $$\\langle$$A h$$\\rangle$$ of the input mass yields ∂$$\\bar{v}$$/∂ $$\\langle$$A h$$\\rangle$$ = ± 0.1 (n / f )/u . The mass peak width influences the correlation between the total kinetic energy of the fission fragments and the total number of prompt neutrons emitted, $$\\bar{v}_T$$ ( TKE ) . Finally, typical biases on prompt particle observables from using calculated mass yields instead of experimental ones are δ$$\\bar{v}$$ = 4 % for the average prompt neutron multiplicity, δ$$\\overline{M}_γ$$ = 1% for the average prompt γ-ray multiplicity, δ$$\\bar{ε}$$ $$LAB\\atop{n}$$ = 1 % for the average outgoing neutron energy, δ$$\\bar{ε}_γ$$ = 1 % for the average γ-ray energy, and δ $$\\langle$$TKE$$\\rangle$$ = 0.4 % for the average total kinetic energy of the fission fragments.« less

A molecular dynamics study on the role of attractive and repulsive forces in internal energy, internal pressure and structure of dense fluids

NASA Astrophysics Data System (ADS)

Goharshadi, Elaheh K.; Morsali, Ali; Mansoori, G. Ali

2007-01-01

Isotherms of experimental data of internal pressure of dense fluids versus molar volume, Vm are shown to have each a maximum point at a Vmax below the critical molar volume. In this study, we investigated the role of attractive and repulsive intermolecular energies on this behavior using a molecular dynamics simulation technique. In the simulation, we choose the Lennard-Jones (LJ) intermolecular potential energy function. The LJ potential is known to be an effective potential representing a statistical average of the true pair and many-body interactions in simple molecular systems. The LJ potential function is divided into attractive and repulsive parts. MD calculations have produced internal energy, potential energy, transitional kinetic energy, and radial distribution function (RDF) for argon at 180 K and 450 K using LJ potential, LJ repulsive, and LJ attractive parts. It is shown that the LJ potential function is well capable of predicting the inflection point in the internal energy-molar volume curve as well as maximum point in the internal pressure-molar volume curve. It is also shown that at molar volumes higher than Vmax, the attractive forces have strong influence on determination of internal energy and internal pressure. At volumes lower than Vmax, neither repulsive nor attractive forces are dominating. Also, the coincidence between RDFs resulting from LJ potential and repulsive parts of LJ potential improves as molar volume approaches Vmax from high molar volumes. The coincidence becomes complete at Vmax ⩾ V.

Water dissociating on rigid Ni(100): A quantum dynamics study on a full-dimensional potential energy surface

NASA Astrophysics Data System (ADS)

Liu, Tianhui; Chen, Jun; Zhang, Zhaojun; Shen, Xiangjian; Fu, Bina; Zhang, Dong H.

2018-04-01

We constructed a nine-dimensional (9D) potential energy surface (PES) for the dissociative chemisorption of H2O on a rigid Ni(100) surface using the neural network method based on roughly 110 000 energies obtained from extensive density functional theory (DFT) calculations. The resulting PES is accurate and smooth, based on the small fitting errors and the good agreement between the fitted PES and the direct DFT calculations. Time dependent wave packet calculations also showed that the PES is very well converged with respect to the fitting procedure. The dissociation probabilities of H2O initially in the ground rovibrational state from 9D quantum dynamics calculations are quite different from the site-specific results from the seven-dimensional (7D) calculations, indicating the importance of full-dimensional quantum dynamics to quantitatively characterize this gas-surface reaction. It is found that the validity of the site-averaging approximation with exact potential holds well, where the site-averaging dissociation probability over 15 fixed impact sites obtained from 7D quantum dynamics calculations can accurately approximate the 9D dissociation probability for H2O in the ground rovibrational state.

Classical and quantum dynamics of a kicked relativistic particle in a box

NASA Astrophysics Data System (ADS)

Yusupov, J. R.; Otajanov, D. M.; Eshniyazov, V. E.; Matrasulov, D. U.

2018-03-01

We study classical and quantum dynamics of a kicked relativistic particle confined in a one dimensional box. It is found that in classical case for chaotic motion the average kinetic energy grows in time, while for mixed regime the growth is suppressed. However, in case of regular motion energy fluctuates around certain value. Quantum dynamics is treated by solving the time-dependent Dirac equation with delta-kicking potential, whose exact solution is obtained for single kicking period. In quantum case, depending on the values of the kicking parameters, the average kinetic energy can be quasi periodic, or fluctuating around some value. Particle transport is studied by considering spatio-temporal evolution of the Gaussian wave packet and by analyzing the trembling motion.

Assessment of Detection and Refinement Strategies for de novo Protein Structures using Force Field and Statistical Potentials

DTIC Science & Technology

2007-01-01

energy landscape of real proteins . As such, real proteins may have a subtle free energy gradient toward the native that requires long folding times...some leaning, however slight, toward the lowest free - energy basin .9 One caveat in the connection between the scoring funnel and the folding funnel is... protein sets. The average DFIRE-AA scores from each cluster were ranked, and the lowest- energy conformers from each of the top 16 clusters

Comprehensive Renewable Energy Feasibility Study for Sealaska Corporation

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

Robert Lynette; John Wade: Larry Coupe

2006-06-30

The purposes of this project were: (1) to conduct a comprehensive feasibility study to determine the potential sustainability of wind and/or small hydroelectric power plants on Southeast Alaska native village lands, and (2) to provide the villages with an understanding of the requirements, costs, and benefits of developing and operating wind or small hydroelectric power plants. The program was sponsored by the Tribal Energy program, Office of Energy Efficiency and Renewable Energy, US Department of Energy. The Contractor was Sealaska Corporation, the Regional Native Corporation for Southeast Alaska that includes 12 village/urban corporations. Most villages are isolated from any centralmore » electric transmission and use diesel-electric systems for power generation, making them prime candidates for deploying renewable energy sources. Wind Energy - A database was assembled for all of the candidate sites in SE Alaska, including location, demographics, electricity supply and demand, existing and planned transmission interties with central generation, topographical maps, macro wind data, and contact personnel. Field trips were conducted at the five candidate villages that were deemed most likely to have viable wind resources. Meetings were held with local village and utility leaders and the requirements, costs, and benefits of having local renewable energy facilities were discussed. Two sites were selected for anemometry based on their needs and the probability of having viable wind resources – Yakutat and Hoonah. Anemometry was installed at both sites and at least one year of wind resource data was collected from the sites. This data was compared to long-term data from the closest weather stations. Reports were prepared by meteorologist John Wade that contains the details of the measured wind resources and energy production projections. Preliminary financial analysis of hypothetical wind power stations were prepared to gauge the economic viability of installing such facilities at each site. The average wind resources measured at Yakutat at three sites were very marginal, with an annual average of 4.0 mps (9 mph) at 60 meters above ground level. At Hoonah, the average wind resources measured on the 1,417 ft elevation ridge above the village were very low, with a six-month average of 3.9 mps (8.7 mph) at 60 meters above ground level. The wind resources at both sites were not sufficient to justify installation of wind turbines. In summary, although there are several known windy spots in SE Alaska (e.g., Skagway), we were not able to identify any isolated Native American villages that utilize diesel-electric power generation that have commercially viable wind resources. Small Hydroelectric - The study focused on the communities associated with Sealaska Corporation that use diesel-electric for electricity and have a potential for hydroelectric power generation. Most of them have had at least an assessment of hydroelectric potential, and a few have had feasibility studies of potential hydroelectric projects. Although none of the sites examined are financially viable without substantial grant funding, Hoonah, Kake, and Yakutat appear to have the best potential for new hydro facilities.« less

A Gaussian wave packet phase-space representation of quantum canonical statistics

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

Coughtrie, David J.; Tew, David P.

2015-07-28

We present a mapping of quantum canonical statistical averages onto a phase-space average over thawed Gaussian wave-packet (GWP) parameters, which is exact for harmonic systems at all temperatures. The mapping invokes an effective potential surface, experienced by the wave packets, and a temperature-dependent phase-space integrand, to correctly transition from the GWP average at low temperature to classical statistics at high temperature. Numerical tests on weakly and strongly anharmonic model systems demonstrate that thermal averages of the system energy and geometric properties are accurate to within 1% of the exact quantum values at all temperatures.

Maximum Entropy Methods as the Bridge Between Microscopic and Macroscopic Theory

NASA Astrophysics Data System (ADS)

Taylor, Jamie M.

2016-09-01

This paper is concerned with an investigation into a function of macroscopic variables known as the singular potential, building on previous work by Ball and Majumdar. The singular potential is a function of the admissible statistical averages of probability distributions on a state space, defined so that it corresponds to the maximum possible entropy given known observed statistical averages, although non-classical entropy-like objective functions will also be considered. First the set of admissible moments must be established, and under the conditions presented in this work the set is open, bounded and convex allowing a description in terms of supporting hyperplanes, which provides estimates on the development of singularities for related probability distributions. Under appropriate conditions it is shown that the singular potential is strictly convex, as differentiable as the microscopic entropy, and blows up uniformly as the macroscopic variable tends to the boundary of the set of admissible moments. Applications of the singular potential are then discussed, and particular consideration will be given to certain free-energy functionals typical in mean-field theory, demonstrating an equivalence between certain microscopic and macroscopic free-energy functionals. This allows statements about L^1-local minimisers of Onsager's free energy to be obtained which cannot be given by two-sided variations, and overcomes the need to ensure local minimisers are bounded away from zero and +∞ before taking L^∞ variations. The analysis also permits the definition of a dual order parameter for which Onsager's free energy allows an explicit representation. Also, the difficulties in approximating the singular potential by everywhere defined functions, in particular by polynomial functions, are addressed, with examples demonstrating the failure of the Taylor approximation to preserve relevant shape properties of the singular potential.

Rotationally mediated selective adsorption as a probe of isotropic and anisotropic molecule. Surface interaction potentials: HD(J)/Ag(111)

NASA Astrophysics Data System (ADS)

Uy, C. F.; Hogg, C. S.; Cowin, J. P.; Whaley, K. B.; Light, J. C.; Sibener, S. J.

1982-08-01

Rotationally mediated selective adsorption scattering resonances are used to make an experimental and theoretical study of the laterally averaged interaction potential between HD and a weakly corrugated system, Ag(111). The experimentally observed resonances determine the vibrational levels of the HD/Ag(111) physisorption potential as a function of bound rotational state. These vibrational levels show J-dependent shifts due to the orientational anisotropy of the potential. Exact quantum scattering calculations using a full laterally averaged potential of the form V sub o(z,0) = v sub o (z) (1 + beta P sub 2 (cos theta)) have been carried out to obtain rotationally inelastic transition probabilities. Experimental and theoretical resonance energies are compared for two forms of v sub o(z), a Morse and a variable exponent potential, as a function of Beta, and are found to be very close to the first order perturbed energies of a free rotor in bound states of v sub o(z). Both potential forms give equally good fits to the data, yielding an optimum value of the asymmetry parameter, Beta approx. -0.05. The determination of Beta is relatively insensitive to small changes in the v sub o(z) well depth.

A thermodynamic approach to link self-organization, preferential flow and rainfall-runoff behaviour

NASA Astrophysics Data System (ADS)

Zehe, E.; Ehret, U.; Blume, T.; Kleidon, A.; Scherer, U.; Westhoff, M.

2013-11-01

This study investigates whether a thermodynamically optimal hillslope structure can, if existent, serve as a first guess for uncalibrated predictions of rainfall-runoff. To this end we propose a thermodynamic framework to link rainfall-runoff processes and dynamics of potential energy, kinetic energy and capillary binding energy in catchments and hillslopes. The starting point is that hydraulic equilibrium in soil corresponds to local thermodynamic equilibrium (LTE), characterized by a local maximum entropy/minimum of free energy of soil water. Deviations from LTE occur either due to evaporative losses, which increase absolute values of negative capillary binding energy of soil water and reduce its potential energy, or due to infiltration of rainfall, which increases potential energy of soil water and reduces the strength of capillary binding energy. The amplitude and relaxation time of these deviations depend on climate, vegetation, soil hydraulic functions, topography and density of macropores. Based on this framework we analysed the free energy balance of hillslopes within numerical experiments that perturbed model structures with respect to the surface density of macropores. These model structures have been previously shown to allow successful long-term simulations of the water balances of the Weiherbach and the Malalcahuello catchments, which are located in distinctly different pedological and climatic settings. Our findings offer a new perspective on different functions of preferential flow paths depending on the pedological setting. Free energy dynamics of soil water in the cohesive soils of the Weiherbach is dominated by dynamics of capillary binding energy. Macropores act as dissipative wetting structures by enlarging water flows against steep gradients in soil water potential after long dry spells. This implies accelerated depletion of these gradients and faster relaxation back towards LTE. We found two local optima in macropore density that maximize reduction rates of free energy of soil water during rainfall-driven conditions. These two optima exist because reduction rates of free energy are, in this case, a second-order polynomial of the wetting rate, which implicitly depends on macroporosity. An uncalibrated long-term simulation of the water balance of the Weiherbach catchment based on the first optimum macroporosity performed almost as well as the best fit when macroporosity was calibrated to match rainfall-runoff. In the Malalcahuello catchment we did not find an apparent optimum density of macropores, because free energy dynamics of soil water during rainfall-driven conditions is dominated by increases of potential energy. Macropores act as dissipative drainage structures by enhancing export of potential energy. No optimum macropore density exists in this case because potential energy change rates scale linearly with the wetting rate. We found, however, a distinguished macroporosity that assures steady-state conditions of the potential energy balance of the soil, in the sense that average storage of potential energy is compensated by average potential energy export. This distinguished macroporosity was close to the value that yielded the best fit of rainfall-runoff behaviour during a calibration exercise and allowed a robust estimate of the annual runoff coefficient. Our findings are promising for predictions in ungauged catchments (PUB) as the optimal/distinguished model structures can serve as a first guess for uncalibrated predictions of rainfall-runoff. They also offer an alternative for classifying catchments according to their similarity of the free energy balance components.

Boltzmann distribution in a nonequilibrium steady state: measuring local potential by granular Brownian particles.

PubMed

To, Kiwing

2014-06-01

We investigate experimentally the steady state motion of a millimeter-sized granular polyhedral object on vertically vibrating platforms of flat, conical, and parabolic surfaces. We find that the position distribution of the granular object is related to the shape of the platform, just like that of a Brownian particle trapped in a potential at equilibrium, even though the granular object is intrinsically not at equilibrium due to inelastic collisions with the platform. From the collision dynamics, we derive the Langevin equation which describes the motion of the object under an effective potential that equals the gravitational potential along the platform surface. The potential energy is found to agree with the equilibrium equipartition theorem while the kinetic energy does not. Furthermore, the granular temperature is found to be higher than the effective temperature associated with the average potential energy, suggesting the presence of heat transfer from the kinetic part to the potential part of the granular object.

Boltzmann distribution in a nonequilibrium steady state: Measuring local potential by granular Brownian particles

NASA Astrophysics Data System (ADS)

To, Kiwing

2014-06-01

We investigate experimentally the steady state motion of a millimeter-sized granular polyhedral object on vertically vibrating platforms of flat, conical, and parabolic surfaces. We find that the position distribution of the granular object is related to the shape of the platform, just like that of a Brownian particle trapped in a potential at equilibrium, even though the granular object is intrinsically not at equilibrium due to inelastic collisions with the platform. From the collision dynamics, we derive the Langevin equation which describes the motion of the object under an effective potential that equals the gravitational potential along the platform surface. The potential energy is found to agree with the equilibrium equipartition theorem while the kinetic energy does not. Furthermore, the granular temperature is found to be higher than the effective temperature associated with the average potential energy, suggesting the presence of heat transfer from the kinetic part to the potential part of the granular object.

Colloids exposed to random potential energy landscapes: From particle number density to particle-potential and particle-particle interactions

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

Bewerunge, Jörg; Capellmann, Ronja F.; Platten, Florian

2016-07-28

Colloidal particles were exposed to a random potential energy landscape that has been created optically via a speckle pattern. The mean particle density as well as the potential roughness, i.e., the disorder strength, were varied. The local probability density of the particles as well as its main characteristics were determined. For the first time, the disorder-averaged pair density correlation function g{sup (1)}(r) and an analogue of the Edwards-Anderson order parameter g{sup (2)}(r), which quantifies the correlation of the mean local density among disorder realisations, were measured experimentally and shown to be consistent with replica liquid state theory results.

Using the fast fourier transform in binding free energy calculations.

PubMed

Nguyen, Trung Hai; Zhou, Huan-Xiang; Minh, David D L

2018-04-30

According to implicit ligand theory, the standard binding free energy is an exponential average of the binding potential of mean force (BPMF), an exponential average of the interaction energy between the unbound ligand ensemble and a rigid receptor. Here, we use the fast Fourier transform (FFT) to efficiently evaluate BPMFs by calculating interaction energies when rigid ligand configurations from the unbound ensemble are discretely translated across rigid receptor conformations. Results for standard binding free energies between T4 lysozyme and 141 small organic molecules are in good agreement with previous alchemical calculations based on (1) a flexible complex ( R≈0.9 for 24 systems) and (2) flexible ligand with multiple rigid receptor configurations ( R≈0.8 for 141 systems). While the FFT is routinely used for molecular docking, to our knowledge this is the first time that the algorithm has been used for rigorous binding free energy calculations. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

A new market risk model for cogeneration project financing---combined heat and power development without a power purchase agreement

NASA Astrophysics Data System (ADS)

Lockwood, Timothy A.

Federal legislative changes in 2006 no longer entitle cogeneration project financings by law to receive the benefit of a power purchase agreement underwritten by an investment-grade investor-owned utility. Consequently, this research explored the need for a new market-risk model for future cogeneration and combined heat and power (CHP) project financing. CHP project investment represents a potentially enormous energy efficiency benefit through its application by reducing fossil fuel use up to 55% when compared to traditional energy generation, and concurrently eliminates constituent air emissions up to 50%, including global warming gases. As a supplemental approach to a comprehensive technical analysis, a quantitative multivariate modeling was also used to test the statistical validity and reliability of host facility energy demand and CHP supply ratios in predicting the economic performance of CHP project financing. The resulting analytical models, although not statistically reliable at this time, suggest a radically simplified CHP design method for future profitable CHP investments using four easily attainable energy ratios. This design method shows that financially successful CHP adoption occurs when the average system heat-to-power-ratio supply is less than or equal to the average host-convertible-energy-ratio, and when the average nominally-rated capacity is less than average host facility-load-factor demands. New CHP investments can play a role in solving the world-wide problem of accommodating growing energy demand while preserving our precious and irreplaceable air quality for future generations.

Enhancement of Seebeck coefficient in graphene superlattices by electron filtering technique

NASA Astrophysics Data System (ADS)

Mishra, Shakti Kumar; Kumar, Amar; Kaushik, Chetan Prakash; Dikshit, Biswaranjan

2018-01-01

We show theoretically that the Seebeck coefficient and the thermoelectric figure of merit can be increased by using electron filtering technique in graphene superlattice based thermoelectric devices. The average Seebeck coefficient for graphene-based thermoelectric devices is proportional to the integral of the distribution of Seebeck coefficient versus energy of electrons. The low energy electrons in the distribution curve are found to reduce the average Seebeck coefficient as their contribution is negative. We show that, with electron energy filtering technique using multiple graphene superlattice heterostructures, the low energy electrons can be filtered out and the Seebeck coefficient can be increased. The multiple graphene superlattice heterostructures can be formed by graphene superlattices with different periodic electric potentials applied above the superlattice. The overall electronic band gap of the multiple heterostructures is dependent upon the individual band gap of the graphene superlattices and can be tuned by varying the periodic electric potentials. The overall electronic band gap of the multiple heterostructures has to be properly chosen such that, the low energy electrons which cause negative Seebeck distribution in single graphene superlattice thermoelectric devices fall within the overall band gap formed by the multiple heterostructures. Although the electrical conductance is decreased in this technique reducing the thermoelectric figure of merit, the overall figure of merit is increased due to huge increase in Seebeck coefficient and its square dependency upon the Seebeck coefficient. This is an easy technique to make graphene superlattice based thermoelectric devices more efficient and has the potential to significantly improve the technology of energy harvesting and sensors.

Nonequilibrium study of the intrinsic free-energy profile across a liquid-vapour interface

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

Braga, Carlos, E-mail: ccorreia@imperial.ac.uk; Muscatello, Jordan, E-mail: jordan.muscatello@imperial.ac.uk; Lau, Gabriel, E-mail: gabriel.lau07@imperial.ac.uk

2016-01-28

We calculate an atomistically detailed free-energy profile across a heterogeneous system using a nonequilibrium approach. The path-integral formulation of Crooks fluctuation theorem is used in conjunction with the intrinsic sampling method to calculate the free-energy profile for the liquid-vapour interface of the Lennard-Jones fluid. Free-energy barriers are found corresponding to the atomic layering in the liquid phase as well as a barrier associated with the presence of an adsorbed layer as revealed by the intrinsic density profile. Our findings are in agreement with profiles calculated using Widom’s potential distribution theorem applied to both the average and the intrinsic profiles asmore » well as the literature values for the excess chemical potential.« less

Nutritional evaluation of former food products (ex-food) intended for pig nutrition.

PubMed

Giromini, C; Ottoboni, M; Tretola, M; Marchis, D; Gottardo, D; Caprarulo, V; Baldi, A; Pinotti, L

2017-08-01

Ex-food or former food products (FFPs) have been proposed as one of the categories with great promise as alternative feed ingredients. FFPs' nutritional potential is not yet fully exploited. Therefore, the aim of this study was to perform a nutritional evaluation of selected FFPs. In particular, six samples of mixed FFPs, all based on bakery products, were analysed for moisture, crude protein, ether extract, crude fibre, neutral detergent fibre, acid detergent fibre, starch and ash. Nitrogen-free extractives and non-structural carbohydrate were also determined. Based on FFPs' composition data, estimation of digestible energy and metabolisable energy values for pigs were calculated. Further, the in vitro digestibility values of FFPs were investigated using a multi-step enzymatic technique. A wheat sample was included as a control feed ingredient in the study. All data were reported on dry matter basis. FFPs have shown a nutrient composition comparable with cereal grains. In the tested FFPs, the average protein content was 10.0% and the average starch content was 52.4%. Nitrogen-free extractive ranged from 61.2% to 74.7%, whereas non-structural carbohydrate ranged from 58.5% to 79.3%. Compared with wheat, FFPs were characterised by a relative high fat content, averaging about 10.1%. The relatively high nitrogen-free extractive/non-structural carbohydrate/starch and fat concentration designated FFPs as valuable energy sources. Digestible energy and metabolisable energy averages were 17.2 and 16.9 MJ kg -1 , respectively. The average in vitro digestibility value of FFPs samples was 88.2% ± 5.8%, comparable with that of wheat (90.6% ± 1.6%). FFPs are a fat-fortified version of common cereals grains. The high energy content and digestibility values elect FFPs as promising non-traditional ingredients for swine.

Microwave Driven Magnetic Plasma Accelerator Studies (CYCLOPS)

NASA Technical Reports Server (NTRS)

Crimi, G. F.; Eckert, A. C.; Miller, D. B.

1967-01-01

A microwave-driven cyclotron resonance plasma acceleration device was investigated using argon, krypton, xenon, and mercury as propellants. Limited ranges of propellant flow rate, input power, and magnetic field strength were used. Over-all efficiencies (including the 65% efficiency of the input polarizer) less than 10% were obtained for specific impulse values between 500 and 1500 sec. Power transfer efficiencies, however, approached 100% of the input power available in the right-hand component of the incident circularly polarized radiation. Beam diagnostics using Langmuir probes, cold gas mapping, r-f mapping and ion energy analyses were performed in conjunction with an engine operating in a pulsed mode. Measurements of transverse electron energies at the position of cyclotron resonant absorption yielded energy values more than an order of magnitude lower than anticipated. The measured electron energies were, however, consistent with the low values of average ion energy measured by retarding potential techniques. The low values of average ion energy were also consistent with the measured thrust values. It is hypothesized that ionization and radiation limit the electron kinetic energy to low-values thus limiting the energy which is finally transferred to the ion. Thermalization by electron-electron collision was also identified as an additional loss mechanism. The use of light alkali metals, which have relatively few low lying energy levels to excite, with the input power to mass ratio selected so as to limit the electron energies to less than the second ionization potential, is suggested. It is concluded, however, that the over-all efficiency for such propellants would be less than 40 per cent.

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

NASA Astrophysics Data System (ADS)

Sheng, Xiaowei; Qian, Shifeng; Hu, Fengfei

2017-08-01

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

Kinetic energy equations for the average-passage equation system

NASA Technical Reports Server (NTRS)

Johnson, Richard W.; Adamczyk, John J.

1989-01-01

Important kinetic energy equations derived from the average-passage equation sets are documented, with a view to their interrelationships. These kinetic equations may be used for closing the average-passage equations. The turbulent kinetic energy transport equation used is formed by subtracting the mean kinetic energy equation from the averaged total instantaneous kinetic energy equation. The aperiodic kinetic energy equation, averaged steady kinetic energy equation, averaged unsteady kinetic energy equation, and periodic kinetic energy equation, are also treated.

Microbial fuel cells for direct electrical energy recovery from urban wastewaters.

PubMed

Capodaglio, A G; Molognoni, D; Dallago, E; Liberale, A; Cella, R; Longoni, P; Pantaleoni, L

2013-01-01

Application of microbial fuel cells (MFCs) to wastewater treatment for direct recovery of electric energy appears to provide a potentially attractive alternative to traditional treatment processes, in an optic of costs reduction, and tapping of sustainable energy sources that characterizes current trends in technology. This work focuses on a laboratory-scale, air-cathode, and single-chamber MFC, with internal volume of 6.9 L, operating in batch mode. The MFC was fed with different types of substrates. This study evaluates the MFC behaviour, in terms of organic matter removal efficiency, which reached 86% (on average) with a hydraulic retention time of 150 hours. The MFC produced an average power density of 13.2 mW/m(3), with a Coulombic efficiency ranging from 0.8 to 1.9%. The amount of data collected allowed an accurate analysis of the repeatability of MFC electrochemical behaviour, with regards to both COD removal kinetics and electric energy production.

Physical Meaning of Virtual Kohn-Sham Orbitals and Orbital Energies: An Ideal Basis for the Description of Molecular Excitations.

PubMed

van Meer, R; Gritsenko, O V; Baerends, E J

2014-10-14

In recent years, several benchmark studies on the performance of large sets of functionals in time-dependent density functional theory (TDDFT) calculations of excitation energies have been performed. The tested functionals do not approximate exact Kohn-Sham orbitals and orbital energies closely. We highlight the advantages of (close to) exact Kohn-Sham orbitals and orbital energies for a simple description, very often as just a single orbital-to-orbital transition, of molecular excitations. Benchmark calculations are performed for the statistical average of orbital potentials (SAOP) functional for the potential [J. Chem. Phys. 2000, 112, 1344; 2001, 114, 652], which approximates the true Kohn-Sham potential much better than LDA, GGA, mGGA, and hybrid potentials do. An accurate Kohn-Sham potential does not only perform satisfactorily for calculated vertical excitation energies of both valence and Rydberg transitions but also exhibits appealing properties of the KS orbitals including occupied orbital energies close to ionization energies, virtual-occupied orbital energy gaps very close to excitation energies, realistic shapes of virtual orbitals, leading to straightforward interpretation of most excitations as single orbital transitions. We stress that such advantages are completely lost in time-dependent Hartree-Fock and partly in hybrid approaches. Many excitations and excitation energies calculated with local density, generalized gradient, and hybrid functionals are spurious. There is, with an accurate KS, or even the LDA or GGA potentials, nothing problematic about the "band gap" in molecules: the HOMO-LUMO gap is close to the first excitation energy (the optical gap).

A benchmark for reaction coordinates in the transition path ensemble

PubMed Central

2016-01-01

The molecular mechanism of a reaction is embedded in its transition path ensemble, the complete collection of reactive trajectories. Utilizing the information in the transition path ensemble alone, we developed a novel metric, which we termed the emergent potential energy, for distinguishing reaction coordinates from the bath modes. The emergent potential energy can be understood as the average energy cost for making a displacement of a coordinate in the transition path ensemble. Where displacing a bath mode invokes essentially no cost, it costs significantly to move the reaction coordinate. Based on some general assumptions of the behaviors of reaction and bath coordinates in the transition path ensemble, we proved theoretically with statistical mechanics that the emergent potential energy could serve as a benchmark of reaction coordinates and demonstrated its effectiveness by applying it to a prototypical system of biomolecular dynamics. Using the emergent potential energy as guidance, we developed a committor-free and intuition-independent method for identifying reaction coordinates in complex systems. We expect this method to be applicable to a wide range of reaction processes in complex biomolecular systems. PMID:27059559

High-temperature ratchets with sawtooth potentials

NASA Astrophysics Data System (ADS)

Rozenbaum, Viktor M.; Shapochkina, Irina V.; Sheu, Sheh-Yi; Yang, Dah-Yen; Lin, Sheng Hsien

2016-11-01

The concept of the effective potential is suggested as an efficient instrument to get a uniform analytical description of stochastic high-temperature on-off flashing and rocking ratchets. The analytical representation for the average particle velocity, obtained within this technique, allows description of ratchets with sharp potentials (and potentials with jumps in particular). For sawtooth potentials, the explicit analytical expressions for the average velocity of on-off flashing and rocking ratchets valid for arbitrary frequencies of potential energy fluctuations are derived; the difference in their high-frequency asymptotics is explored for the smooth and cusped profiles, and profiles with jumps. The origin of the difference as well as the appearance of the jump behavior in ratchet characteristics are interpreted in terms of self-similar universal solutions which give the continuous description of the effect. It is shown how the jump behavior in motor characteristics arises from the competition between the characteristic times of the system.

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

Logue, Jennifer M; Singer, Brett

Range hood use during residential cooking is essential to maintaining good indoor air quality. However, widespread use will impact the energy demand of the U.S. housing stock. This paper describes a modeling study to determine site energy, source energy, and consumer costs for comprehensive range hood use. To estimate the energy impacts for all 113 million homes in the U.S., we extrapolated from the simulation of a representative weighted sample of 50,000 virtual homes developed from the 2009 Residential Energy Consumption Survey database. A physics-based simulation model that considered fan energy, energy to condition additional incoming air, and the effectmore » on home heating and cooling due to exhausting the heat from cooking was applied to each home. Hoods performing at a level common to hoods currently in U.S. homes would require 19?33 TWh [69?120 PJ] of site energy, 31?53 TWh [110-190 PJ] of source energy; and would cost consumers $1.2?2.1 billion (U.S.$2010) annually in the U.S. housing stock. The average household would spend less than $15 annually. Reducing required airflow, e.g. with designs that promote better pollutant capture has more energy saving potential, on average, than improving fan efficiency.« less

Ab initio Potential-Energy Surfaces and Electron-Spin-Exchange Cross Sections for H-O2 Interactions

NASA Technical Reports Server (NTRS)

Stallcop, James R.; Partridge, Harry; Levin, Eugene

1996-01-01

Accurate quartet- and doublet-state potential-energy surfaces for the interaction of a hydrogen atom and an oxygen molecule in their ground states have been determined from an ab initio calculation using large-basis sets and the internally contracted multireference configuration interaction method. These potential surfaces have been used to calculate the H-O2 electron-spin-exchange cross section; the square root of the cross section (in a(sub 0)), not taking into account inelastic effects, can be obtained approximately from the expressions 2.390E(sup -1/6) and 5.266-0.708 log10(E) at low and high collision energies E (in E(sub h)), respectively. These functional forms, as well as the oscillatory structure of the cross section found at high energies, are expected from the nature of the interaction energy. The mean cross section (the cross section averaged over a Maxwellian velocity distribution) agrees reasonably well with the results of measurements.

Vibrational inelastic and charge transfer processes in H++H2 system: An ab initio study

NASA Astrophysics Data System (ADS)

Amaran, Saieswari; Kumar, Sanjay

2007-12-01

State-resolved differential cross sections, total and integral cross sections, average vibrational energy transfer, and the relative probabilities are computed for the H++H2 system using the newly obtained ab initio potential energy surfaces at the full CI/cc-pVQZ level of accuracy which allow for both the direct vibrational inelastic and the charge transfer processes. The quantum dynamics is treated within the vibrational close-coupling infinite-order-sudden approximation approach using the two ab initio quasidiabatic potential energy surfaces. The computed collision attributes for both the processes are compared with the available state-to-state scattering experiments at Ec.m.=20eV. The results are in overall good agreement with most of the observed scattering features such as rainbow positions, integral cross sections, and relative vibrational energy transfers. A comparison with the earlier theoretical study carried out on the semiempirical surfaces (diatomics in molecules) is also made to illustrate the reliability of the potential energy surfaces used in the present work.

Dark energy and key physical parameters of clusters of galaxies

NASA Astrophysics Data System (ADS)

Bisnovatyi-Kogan, G. S.; Chernin, A. D.

2012-04-01

We study physics of clusters of galaxies embedded in the cosmic dark energy background. Under the assumption that dark energy is described by the cosmological constant, we show that the dynamical effects of dark energy are strong in clusters like the Virgo cluster. Specifically, the key physical parameters of the dark mater halos in clusters are determined by dark energy: (1) the halo cut-off radius is practically, if not exactly, equal to the zero-gravity radius at which the dark matter gravity is balanced by the dark energy antigravity; (2) the halo averaged density is equal to two densities of dark energy; (3) the halo edge (cut-off) density is the dark energy density with a numerical factor of the unity order slightly depending on the halo profile. The cluster gravitational potential well in which the particles of the dark halo (as well as galaxies and intracluster plasma) move is strongly affected by dark energy: the maximum of the potential is located at the zero-gravity radius of the cluster.

Estimating the Gibbs energy of hydration from molecular dynamics trajectories obtained by integral equations of the theory of liquids in the RISM approximation

NASA Astrophysics Data System (ADS)

Tikhonov, D. A.; Sobolev, E. V.

2011-04-01

A method of integral equations of the theory of liquids in the reference interaction site model (RISM) approximation is used to estimate the Gibbs energy averaged over equilibrium trajectories computed by molecular mechanics. Peptide oxytocin is selected as the object of interest. The Gibbs energy is calculated using all chemical potential formulas introduced in the RISM approach for the excess chemical potential of solvation and is compared with estimates by the generalized Born model. Some formulas are shown to give the wrong sign of Gibbs energy changes when peptide passes from the gas phase into water environment; the other formulas give overestimated Gibbs energy changes with the right sign. Note that allowance for the repulsive correction in the approximate analytical expressions for the Gibbs energy derived by thermodynamic perturbation theory is not a remedy.

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

Ab initio relativistic effective potentials with spin--orbit operators. III. Rb through Xe

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

LaJohn, L.A.; Christiansen, P.A.; Ross, R.B.

A refined version of the ''shape consistent'' effective potential procedure of Christiansen, Lee, and Pitzer was used to compute averaged relativistic effective potentials (AREP) and spin--orbit operators for the elements Rb through Xe. Particular attention was given to the partitioning of the core and valence space and, where appropriate, more than one set of potentials is provided. These are tabulated in analytic form. Gaussian basis sets with contraction coefficients for the lowest energy state of each atom are given. The reliability of the transition metal AREPs was examined by comparing computed atomic excitation energies with accurate all-electron relativistic values. Themore » spin--orbit operators were tested in calculations on selected atoms.« less

Army Reserve Expands Net Zero Energy, Water, Waste

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

Solana, Amy E.

In 2012, the Army initiated a Net Zero (NZ) program to establish NZ energy, water, and/or waste goals at installations across the U.S. In 2013, the U.S. Army Reserve expanded this program to cover all three categories at different types of Reserve Centers (RCs) across 5 regions. Projects identified at 10 pilot sites resulted in an average savings potential from recommended measures of 90% for energy, 60% for water, and 83% for waste. This article provides results of these efforts.

Folding model analyses of 12C-12C and 16O-16O elastic scattering using the density-dependent LOCV-averaged effective interaction

NASA Astrophysics Data System (ADS)

Rahmat, M.; Modarres, M.

2018-03-01

The averaged effective two-body interaction (AEI), which can be generated through the lowest order constrained variational (LOCV) method for symmetric nuclear matter (SNM) with the input [Reid68, Ann. Phys. 50, 411 (1968), 10.1016/0003-4916(68)90126-7] nucleon-nucleon potential, is used as the effective nucleon-nucleon potential in the folding model to describe the heavy-ion (HI) elastic scattering cross sections. The elastic scattering cross sections of 12C-12C and 16O-16O systems are calculated in the above framework. The results are compared with the corresponding calculations coming from the fitting procedures with the input finite range D D M 3 Y 1 -Reid potential and the available experimental data at different incident energies. It is shown that a reasonable description of the elastic 12C-12C and 16O-16O scattering data at the low and medium energies can be obtained by using the above LOCV AEI, without any need to define a parametrized density-dependent function in the effective nucleon-nucleon potential, which is formally considered in the typical D D M 3 Y 1 -Reid interactions.

Energy expenditure estimates during school physical education: Potential vs. reality?

PubMed

Kahan, David; McKenzie, Thomas L

2017-02-01

Schools are salient locations for addressing the high prevalence of overweight and obesity. Most US states require some physical education (PE) and the energy expended during PE has potential to positively affect energy balance. We previously used 2012 data to examine state policies for PE to calculate estimated student energy expenditure (EEE) under potential (i.e., recommendations followed) and existing conditions. Since then, data have been updated on both state policies and the conduct of PE. Based on updated data, we used PE frequency, duration, and intensity, student mass, and class size to calculate EEE for the delivery of PE under (a) national professional recommendations, (b) 2016 state policies, and (c) school-reported conditions. Although increased from four years ago, only 22 states currently have policies mandating specific PE minutes. EEE over 10years shows the enormous impact PE could have on energy balance. For the average recommended-size PE class, resultant annual EEE based on professional recommendations for min/week far exceeded those based on average state (n=22) policy for min/week by 44.5% for elementary, 62.7% for middle, and 59.5% for high schools. Since 2012 more states adopted policies for PE minutes than dropped them, however, EEE over 10years showed a net loss of 1200kcal/student. With no overall recent improvements in state PE policy and professional recommendations currently not being met, PE remains an underutilized public health resource for EEE. Strong policies, coupled with enhanced accountability of PE teachers and administrators, are needed to ensure PE exists in schools. Copyright © 2016 Elsevier Inc. All rights reserved.

Ballistic parameters and trauma potential of pistol crossbows.

PubMed

Frank, Matthias; Schikorr, Wolfgang; Tesch, Ralf; Werner, Ronald; Hanisch, Steffen; Peters, Dieter; Ekkernkamp, Axel; Bockholdt, Britta; Seifert, Julia

2013-07-01

Hand-held pistol crossbows, which are smaller versions of conventional crossbows, have recently increased in popularity. Similar to conventional crossbows, life threatening injuries due to bolts discharged from pistol crossbows are reported in forensic and traumatological literature. While the ballistic background of conventional crossbows is comprehensively investigated, there are no investigations on the characteristic ballistic parameters (draw force, potential energy, recurve factor, kinetic energy, and efficiency) of pistol crossbows. Two hand-held pistol crossbows (Barnett Commando and Mini Cross Bow, rated draw force 362.9 N or 80 lbs) were tested. The maximum draw force was investigated using a dynamic tensile testing machine (TIRAtest 2705, TIRA GmbH). The potential energy was determined graphically by polynomial regression as area under the force-draw curve. External ballistic parameters of the bolts discharged from pistol crossbows were measured using a redundant ballistic speed measurement system (Dual-BMC 21a and Dual-LS 1000, Werner Mehl Kurzzeitmesstechnik). The average maximum draw force was 190.3 and 175.6 N for the Barnett and Mini Cross Bow, respectively. The corresponding total energy expended was 10.7 and 11 J, respectively. The recurve factor was calculated to be 0.705 and 1.044, respectively. Average bolt velocity was measured 43 up to 52 m/s. The efficiency was calculated up to 0.94. To conclude, this work provides the pending ballistic data on this special subgroup of crossbows which operate on a remarkable low kinetic energy level. Furthermore, it demonstrates that the nominal draw force pretended in the sales brochure is grossly exaggerated.

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.

Energies and densities of electrons confined in elliptical and ellipsoidal quantum dots

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

Halder, Avik; Kresin, Vitaly V.

Here, we consider a droplet of electrons confined within an external harmonic potential well of elliptical or ellipsoidal shape, a geometry commonly encountered in work with semiconductor quantum dots and other nanoscale or mesoscale structures. For droplet sizes exceeding the effective Bohr radius, the dominant contribution to average system parameters in the Thomas– Fermi approximation comes from the potential energy terms, which allows us to derive expressions describing the electron droplet’s shape and dimensions, its density, total and capacitive energy, and chemical potential. Our analytical results are in very good agreement with experimental data and numerical calculations, and make itmore » possible to follow the dependence of the properties of the system on its parameters (the total number of electrons, the axial ratios and curvatures of the confinement potential, and the dielectric constant of the material). One interesting feature is that the eccentricity of the electron droplet is not the same as that of its confining potential well.« less

Energies and densities of electrons confined in elliptical and ellipsoidal quantum dots

DOE PAGES

Halder, Avik; Kresin, Vitaly V.

2016-08-09

Here, we consider a droplet of electrons confined within an external harmonic potential well of elliptical or ellipsoidal shape, a geometry commonly encountered in work with semiconductor quantum dots and other nanoscale or mesoscale structures. For droplet sizes exceeding the effective Bohr radius, the dominant contribution to average system parameters in the Thomas– Fermi approximation comes from the potential energy terms, which allows us to derive expressions describing the electron droplet’s shape and dimensions, its density, total and capacitive energy, and chemical potential. Our analytical results are in very good agreement with experimental data and numerical calculations, and make itmore » possible to follow the dependence of the properties of the system on its parameters (the total number of electrons, the axial ratios and curvatures of the confinement potential, and the dielectric constant of the material). One interesting feature is that the eccentricity of the electron droplet is not the same as that of its confining potential well.« less

Residential energy use and potential conservation through reduced laundering temperatures in the United States and Canada.

PubMed

Sabaliunas, Darius; Pittinger, Charles; Kessel, Cristy; Masscheleyn, Patrick

2006-04-01

A residential energy-use model was developed to estimate energy budgets for household laundering practices in the United States and Canada. The thermal energy for heating water and mechanical energy for agitating clothes in conventional washing machines were calculated for representative households in the United States and Canada. Comparisons in energy consumption among hot-, warm-, and cold-water wash and rinse cycles, horizontal- and vertical-axis washing machines, and gas and electric water heaters, were calculated on a per-wash-load basis. Demographic data for current laundering practices in the United States and Canada were then incorporated to estimate household and national energy consumption on an annual basis for each country. On average, the thermal energy required to heat water using either gas or electric energy constitutes 80% to 85% of the total energy consumed per wash in conventional, vertical-axis (top-loading) washing machines. The balance of energy used is mechanical energy. Consequently, the potential energy savings per load in converting from hot-and-warm- to cold-wash temperatures can be significant. Annual potential energy and cost savings and reductions in carbon dioxide emissions are also estimated for each country, assuming full conversion to cold-wash water temperatures. This study provides useful information to consumers for conserving energy in the home, as well as to, manufacturers in the design of more energy-efficient laundry formulations and appliances.

Charging a capacitor from an external fluctuating potential using a single conical nanopore.

PubMed

Gomez, Vicente; Ramirez, Patricio; Cervera, Javier; Nasir, Saima; Ali, Mubarak; Ensinger, Wolfgang; Mafe, Salvador

2015-04-01

We explore the electrical rectification of large amplitude fluctuating signals by an asymmetric nanostructure operating in aqueous solution. We show experimentally and theoretically that a load capacitor can be charged to voltages close to 1 V within a few minutes by converting zero time-average potentials of amplitudes in the range 0.5-3 V into average net currents using a single conical nanopore. This process suggests that significant energy conversion and storage from an electrically fluctuating environment is feasible with a nanoscale pore immersed in a liquid electrolyte solution, a system characteristic of bioelectronics interfaces, electrochemical cells, and nanoporous membranes.

Charging a Capacitor from an External Fluctuating Potential using a Single Conical Nanopore

PubMed Central

Gomez, Vicente; Ramirez, Patricio; Cervera, Javier; Nasir, Saima; Ali, Mubarak; Ensinger, Wolfgang; Mafe, Salvador

2015-01-01

We explore the electrical rectification of large amplitude fluctuating signals by an asymmetric nanostructure operating in aqueous solution. We show experimentally and theoretically that a load capacitor can be charged to voltages close to 1 V within a few minutes by converting zero time-average potentials of amplitudes in the range 0.5–3 V into average net currents using a single conical nanopore. This process suggests that significant energy conversion and storage from an electrically fluctuating environment is feasible with a nanoscale pore immersed in a liquid electrolyte solution, a system characteristic of bioelectronics interfaces, electrochemical cells, and nanoporous membranes. PMID:25830563

Onshore-offshore wind energy resource evaluation based on synergetic use of multiple satellite data and meteorological stations in Jiangsu Province, China

NASA Astrophysics Data System (ADS)

Wei, Xianglin; Duan, Yuewei; Liu, Yongxue; Jin, Song; Sun, Chao

2018-05-01

The demand for efficient and cost-effective renewable energy is increasing as traditional sources of energy such as oil, coal, and natural gas, can no longer satisfy growing global energy demands. Among renewable energies, wind energy is the most prominent due to its low, manageable impacts on the local environment. Based on meteorological data from 2006 to 2014 and multi-source satellite data (i.e., Advanced Scatterometer, Quick Scatterometer, and Windsat) from 1999 to 2015, an assessment of the onshore and offshore wind energy potential in Jiangsu Province was performed by calculating the average wind speed, average wind direction, wind power density, and annual energy production (AEP). Results show that Jiangsu has abundant wind energy resources, which increase from inland to coastal areas. In onshore areas, wind power density is predominantly less than 200 W/m2, while in offshore areas, wind power density is concentrates in the range of 328-500 W/m2. Onshore areas comprise more than 13,573.24 km2, mainly located in eastern coastal regions with good wind farm potential. The total wind power capacity in onshore areas could be as much as 2.06 x 105 GWh. Meanwhile, offshore wind power generation in Jiangsu Province is calculated to reach 2 x 106 GWh, which is approximately four times the electricity demand of the entire Jiangsu Province. This study validates the effective application of Advanced Scatterometer, Quick Scatterometer, and Windsat data to coastal wind energy monitoring in Jiangsu. Moreover, the methodology used in this study can be effectively applied to other similar coastal zones.

Observations of low-energy ions in the wake of a magnetospheric satellite

NASA Technical Reports Server (NTRS)

Samir, U.; Comfort, R. H.; Chappell, C. R.; Stone, N. H.

1986-01-01

Measurements of low-energy ions made by the retarding ion mass spectrometer (RIMS) onboard the Dynamics Explorer 1 (DE 1) satellite are used to study some aspects of 'body-plasma interactions' in the terrestrial plasmasphere. Preliminary results are presented, yielding the degree of H+ and He+ ion depletion in the wake of the satellite in terms of specific and average ion Mach numbers, average ion mass, body size normalized to ionic Debye length, and body potential normalized to ion thermal energy. Some results from the RIMS measurements are compared with relevant results from the Explorer 31 and the Atmosphere Explorer C ionospheric satellites. Wake depletion is found to vary approximately linearly for small bodies (R-sub-Di less than about 12) and exponentially for large bodies (R-sub-Di greater than 50).

Communication: Smoothing out excited-state dynamics: Analytical gradients for dynamically weighted complete active space self-consistent field

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

Glover, W. J., E-mail: williamjglover@gmail.com

2014-11-07

State averaged complete active space self-consistent field (SA-CASSCF) is a workhorse for determining the excited-state electronic structure of molecules, particularly for states with multireference character; however, the method suffers from known issues that have prevented its wider adoption. One issue is the presence of discontinuities in potential energy surfaces when a state that is not included in the state averaging crosses with one that is. In this communication I introduce a new dynamical weight with spline (DWS) scheme that mimics SA-CASSCF while removing energy discontinuities due to unweighted state crossings. In addition, analytical gradients for DWS-CASSCF (and other dynamically weightedmore » schemes) are derived for the first time, enabling energy-conserving excited-state ab initio molecular dynamics in instances where SA-CASSCF fails.« less

The Effect of Waves on the Tidal-Stream Energy Resource

NASA Astrophysics Data System (ADS)

Lewis, M. J.; Neill, S. P.; Robins, P. E.; Hashemi, M. R.

2016-02-01

The tidal-stream energy resource is typically estimated using depth-averaged "tide-only" hydrodynamic models and do not consider the influence of waves. We find that waves will reduce the available resource, and the wave climate needs to be considered when designing a resilient and efficient tidal-stream energy device. Using well-validated oceanographic models of the Irish Sea and Northwest European shelf, we show tidal-stream energy sites with quiescent wave climates are extremely limited, with limited sea-space and limited scope for future development. To fully realise the potential of tidal-stream energy and to ensure globally deployable devices, the influence of waves on the resource and turbines must be considered. The effect of waves upon the tidal current was investigated using observations (ADCP and wave buoy time-series), and a state-of-the-art, 3-dimensional, dynamically coupled wave-tide model (COAWST). The presence of waves reduced the depth-averaged tidal current, which reduced the potential extractable power by 10% per metre wave height increase. To ensure resilience and survivability, tidal-stream energy device may cease to produce electricity during extremes (often called downtime), however the wave conditions threshold for device shut-down is unknown, and requires future work. The presence of waves will also effect turbine performance and design criteria; for example, the presence of waves was found to alter the shape of the velocity profile, and wave-current misalignment (waves propagating at an angle oblique to the plane of tidal flow) was found to occur for a significant amount of time at many potential tidal-stream energy sites. Therefore, waves reduced the available resource, furthermore the influence of waves on the interaction between tidal energy devices and the tidal-stream resource needs to be characterised in physically-scaled tank experiments and computational fluid dynamics (CFD) numerical models.

Quantifying Energy and Water Savings in the U.S. Residential Sector.

PubMed

Chini, Christopher M; Schreiber, Kelsey L; Barker, Zachary A; Stillwell, Ashlynn S

2016-09-06

Stress on water and energy utilities, including natural resource depletion, infrastructure deterioration, and growing populations, threatens the ability to provide reliable and sustainable service. This study presents a demand-side management decision-making tool to evaluate energy and water efficiency opportunities at the residential level, including both direct and indirect consumption. The energy-water nexus accounts for indirect resource consumption, including water-for-energy and energy-for-water. We examine the relationship between water and energy in common household appliances and fixtures, comparing baseline appliances to ENERGY STAR or WaterSense appliances, using a cost abatement analysis for the average U.S. household, yielding a potential annual per household savings of 7600 kWh and 39 600 gallons, with most upgrades having negative abatement cost. We refine the national average cost abatement curves to understand regional relationships, specifically for the urban environments of Los Angeles, Chicago, and New York. Cost abatement curves display per unit cost savings related to overall direct and indirect energy and water efficiency, allowing utilities, policy makers, and homeowners to consider the relationship between energy and water when making decisions. Our research fills an important gap of the energy-water nexus in a residential unit and provides a decision making tool for policy initiatives.

Effect of molecular anisotropy on beam scattering measurements

NASA Technical Reports Server (NTRS)

Goldflam, R.; Green, S.; Kouri, D. J.; Monchick, L.

1978-01-01

Within the energy sudden approximation, the total integral and total differential scattering cross sections are given by the angle average of scattering cross sections computed at fixed rotor orientations. Using this formalism the effect of molecular anisotropy on scattering of He by HCl and by CO is examined. Comparisons with accurate close coupling calculations indicate that this approximation is quite reliable, even at very low collision energies, for both of these systems. Comparisons are also made with predictions based on the spherical average of the interaction. For HCl the anisotropy is rather weak and its main effect is a slight quenching of the oscillations in the differential cross sections relative to predictions of the spherical averaged potential. For CO the anisotropy is much stronger, so that the oscillatory pattern is strongly quenched and somewhat shifted. It appears that the sudden approximation provides a simple yet accurate method for describing the effect of molecular anisotropy on scattering measurements.

Potential for energy recovery and greenhouse gas mitigation from municipal solid waste using a waste-to-material approach.

PubMed

Chen, Ying-Chu

2016-12-01

Energy recovery and greenhouse gas (GHG) emissions from wastes are getting noticed in recent years. This study evaluated the potential for energy recovery and GHG mitigation from municipal solid waste (MSW) with a waste-to-material (WTM) approach. Waste generated in Taiwan contains a large amount of paper, food waste, and plastics, which previously were mostly sent to waste-to-energy (WTE) plants for incineration. However, the mitigation of GHGs by the WTM approach has been especially successful in the recycling of metals (averaging 1.83×10 6 kgCO 2 -eq/year) and paper (averaging 7.38×10 5 kgCO 2 -eq/year). In addition, the recycling of paper (1.33×10 10 kWh) and plastics (1.26×10 10 kWh) has contributed greatly to energy saving. Both metal and glass are not suitable for incineration due to their low energy content. The volumes of paper and food waste contained in the MSW are positively related to the carbon concentration, which may contribute to increased GHGs during incineration. Therefore, the recycling of paper, metals, and food waste is beneficial for GHG mitigation. Measures to reduce GHGs were also suggested in this study. The development of the WTM approach may be helpful for the proper management of MSW with regards to GHG mitigation. The results of this study can be a successful example for other nations. Copyright © 2016 Elsevier Ltd. All rights reserved.

Wind energy developments in the 20th century

NASA Technical Reports Server (NTRS)

Vargo, D. J.

1974-01-01

Wind turbine systems for generating electrical power have been tested in many countries. Representative examples of turbines which have produced from 100 to 1250 kW are described. The advantages of wind energy consist of its being a nondepleting, nonpolluting, and free fuel source. Its disadvantages relate to the variability of wind and the high installation cost per kilowatt of capacity of wind turbines when compared to other methods of electric-power generation. High fuel costs and potential resource scarcity have led to a five-year joint NASA-NSF program to study wind energy. The program will study wind energy conversion and storage systems with respect to cost effectiveness, and will attempt to estimate national wind-energy potential and develop techniques for generator site selection. The studies concern a small-systems (50-250 kW) project, a megawatt-systems (500-3000 kW) project, supporting research and technology, and energy storage. Preliminary economic analyses indicate that wind-energy conversion can be competitive in high-average-wind areas.

Validity of the site-averaging approximation for modeling the dissociative chemisorption of H{sub 2} on Cu(111) surface: A quantum dynamics study on two potential energy surfaces

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

Liu, Tianhui; Fu, Bina, E-mail: bina@dicp.ac.cn, E-mail: zhangdh@dicp.ac.cn; Zhang, Dong H., E-mail: bina@dicp.ac.cn, E-mail: zhangdh@dicp.ac.cn

A new finding of the site-averaging approximation was recently reported on the dissociative chemisorption of the HCl/DCl+Au(111) surface reaction [T. Liu, B. Fu, and D. H. Zhang, J. Chem. Phys. 139, 184705 (2013); T. Liu, B. Fu, and D. H. Zhang, J. Chem. Phys. 140, 144701 (2014)]. Here, in order to investigate the dependence of new site-averaging approximation on the initial vibrational state of H{sub 2} as well as the PES for the dissociative chemisorption of H{sub 2} on Cu(111) surface at normal incidence, we carried out six-dimensional quantum dynamics calculations using the initial state-selected time-dependent wave packet approach, withmore » H{sub 2} initially in its ground vibrational state and the first vibrational excited state. The corresponding four-dimensional site-specific dissociation probabilities are also calculated with H{sub 2} fixed at bridge, center, and top sites. These calculations are all performed based on two different potential energy surfaces (PESs). It is found that the site-averaging dissociation probability over 15 fixed sites obtained from four-dimensional quantum dynamics calculations can accurately reproduce the six-dimensional dissociation probability for H{sub 2} (v = 0) and (v = 1) on the two PESs.« less

Spin polarization of two-dimensional electron system in parabolic potential

NASA Astrophysics Data System (ADS)

Miyake, Takashi; Totsuji, Chieko; Nakanishi, Kenta; Tsuruta, Kenji; Totsuji, Hiroo

2008-09-01

We analyze the ground state of the two-dimensional quantum system of electrons confined in a parabolic potential with the system size around 100 at 0 K. We map the system onto a classical system on the basis of the classical-map hypernetted-chain (CHNC) method which has been proven to work in the integral-equation-based analyses of uniform systems and apply classical Monte Carlo and molecular dynamics simulations. We find that, when we decrease the strength of confinement keeping the number of confined electrons fixed, the energy of the spin-polarized state with somewhat lower average density becomes smaller than that of the spin-unpolarized state with somewhat higher average density. This system thus undergoes the transition from the spin-unpolarized state to the spin polarized state and the corresponding critical value of r estimated from the average density is as low as r∼0.4 which is much smaller than the r value for the Wigner lattice formation. When we compare the energies of spin-unpolarized and spin-polarized states for given average density, our data give the critical r value for the transition between unpolarized and polarized states around 10 which is close to but still smaller than the known possibility of polarization at r∼27. The advantage of our method is a direct applicability to geometrically complex systems which are difficult to analyze by integral equations and this is an example.

Super-Maxwellian helium evaporation from pure and salty water

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

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

2016-01-28

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

Analysis of wind energy potential for agriculture pump in mountain area Aceh Besar

NASA Astrophysics Data System (ADS)

Syuhada, Ahmad; Maulana, Muhammad Ilham; Fuadi, Zahrul

2017-06-01

In this study, the potential of wind power for agricultural pump driver in Saree mountainous area of Aceh Besar is analyzed. It is found that the average usable wind speed is 6.41 m/s, which is potential to produce 893.96 Watt of electricity with the wind turbine rotor diameter of 3 m. This energy can be used to drive up to 614 Watt of water pump with static head of 20 m to irrigate 19 hectare of land, 7 hours a day. HOMER analysis indicated the lowest simulated NPC value of USD 10.028 with CoE of USD 0.717 kWh. It is also indicated that the wind has potential to produce 3452 kWh/year with lifetime of 15 years.

A Wind Energy Blueprint for Policy Makers (case study: Santa Barbara County, CA)

NASA Astrophysics Data System (ADS)

Prull, D. S.; Ling, F.; Valencia, A.; Kammen, D.

2006-12-01

Over the past 5 years wind power has been the fastest-growing energy source worldwide with an annual average growth rate exceeding 30%. In 2006, 3,400 megawatts of new capacity are expected in the United States alone, representing a 40% growth rate. At a present cost of 3-7ȩnt per kilowatt hour, wind energy has become a viable option in the energy market. Despite this rapid growth, many city and county policy makers know little about their local potential for wind development. As a case study, a wind energy blueprint was created for Santa Barbara County, California. A detailed GIS analysis shows that Santa Barbara County has a gross onshore wind resource of over 1815 MW (with a ~32% capacity factor) although only 10-12% is suitable for utility-scale development (class 3 winds or higher). This 216 MW resource represents 163 tons of avoided CO_2 emissions resulting from coal fire electrical production each year (assuming the national average of 1.5lbs CO_2 emitted per kWh). In addition, potential offshore wind sites within 50 nautical miles of the Santa Barbara County coast could supply up to 15 GW, far exceeding the energy demands of the county (~570 MW). An economic impact analysis indicates that more than 600 jobs would be created as a result of onshore development. We address concerns such as impacts on wildlife, noise, and view shed. This wind energy blueprint can serve as an example on how to effectively relate technical issues to both policy members and the public.

Rabbit Feces as Feed for Ruminants and as an Energy Source.

PubMed

Peiretti, Pier Giorgio; Tassone, Sonia; Gai, Francesco; Gasco, Laura; Masoero, Giorgio

2014-12-05

There are prospects for using novel feeds from various sources to provide ruminants with alternative sources of protein and energy such as by-products, and animal wastes. Rabbit feces are a concentrated source of fiber and could have commercial potential both as input biomass in anaerobic processes for biogas production, as well as a fibrous source for ruminal degradation. The aims of this work were to assess the potential as ruminant feeding and as biogas production of rabbit feces, in comparison with 12 crops. The chemical composition and the potential and experimental in vitro true digestibility (IVTD) and neutral detergent fiber digestibility (NDFD) of 148 feces samples were determined by using chemical methods, Daisy system digestibility and/or NIRS predictions. The average biomethane potential (BMP) was 286 ± 10 lCH4/kg SV with -4% vs. the crops average. Milk forage unit (milk FU), IVTD and NDFD of feces were 0.54 ± 0.06 milk FU/kg DM, 74% ± 3% and 50% ± 5%, respectively, with comparisons of -19%, -11% and -24% vs. the crops average. Reconstruction of the potential values based on the chemical constituents but using the crop partial least square model well agreed with the NIRS calibrations and cross-validation. In a global NIRS calibration of the feces and crops the relative predicted deviation for IVTD, NDFD and milk FU were 3.1, 2.9 and 2.6, respectively, and only 1.5 for BMP. Running the Daisy system for rabbit feces in rumen fluid gave some inconsistencies, weakened the functional relationships, and appeared not to be correlated with the potential values of IVTD and NDFD. Nevertheless, the energetic potential of feces appears to be similar to some conventional crops at different degrees of maturity. Thus we conclude that rabbit feces has potential value as a ruminant feed and for biogas production.

Hydrology beyond closing the water balance: energy conservative scaling of gradient flux relations

NASA Astrophysics Data System (ADS)

Zehe, Erwin; Loritz, Ralf; Jackisch, Conrad

2017-04-01

The value of physically-based models has been doubted since their idea was introduced by Freeze and Harlan. Physically-based models like typically rely on the Darcy-Richards concept for soil water dynamics, the Penman-Monteith equation for soil-vegetation-atmosphere exchange processes and hydraulic approaches for overland and stream flow. Each of these concepts is subject to limitations arising from our imperfect understanding of the related processes and is afflicted by the restricted transferability of process descriptions from idealized laboratory conditions to heterogeneous natural systems. Particularly the non-linearity of soil water characteristics in concert with the baffling heterogeneity subsurface properties is usually seen as the dead end for a meaningful application of physically based models outside of well observed research catchments and, more importantly, for an upscaling of point scale flux - gradient relation-ships. This study provides evidence that an energy conservative scaling of topographic gradients and soil water retention curves allows derivation of useful effective catchment scale topography and retention curve from distributed data, which allow successful simulations of the catchment water balance in two distinctly different landscapes. The starting point of our approach is that subsurface water fluxes are driven by differences in potential energy and chemical/capillary binding energy. The relief of a single hillslope controls the potential energy gradients driving downslope flows of free water, while catchment scale variability in hillslope relief is associated with differences in driving potential energy. It is more important to note that the soil water retention curve characterises the density of capillary binding energy of soil water (usually named soil water potential) at a given soil water content. Spatially variable soil water characteristics hence reflect fluctuations in capillary binding energy of soil water at a given soil water content among different sites. Essentially we propose that a meaning full effective representation of the driving topographic gradient needs to represent the mean distribution of geo-potential energy in a catchment, which leads us to the hypsometric integral. Similarly, we postulate that effective soil water characteristics should characterise the average relation between soil water content and capillary binding energy of soil water. For a given set of soil water retention curve derived from a set of undisturbed soil samples this can be achieved by grouping the observation points of all soil samples, averaging the soil water content at a given matric potential/binding energy density and fitting a parametric relation. We demonstrate that a single hillslope with the proposed effective topography and soil water retention curve is sufficient to simulate the water balance and runoff formation of two distinctly different catchments in the Attert experimental watershed.

MEAN AVERAGE TEMPERATURE DATA - U.S HISTORICAL CLIMATOLOGY NETWORK (HCN)

EPA Science Inventory

The Carbon Dioxide Information Analysis Center, which includes the World Data Center-A for Atmospheric Trace Gases, is the primary global-change data and information analysis center of the U.S. Department of Energy (DOE). CDIACs scope includes potentially anything and everything...

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 Wind Energy Potential of Kurdistan, Iran

PubMed Central

Arefi, Farzad; Moshtagh, Jamal; Moradi, Mohammad

2014-01-01

In the current work by using statistical methods and available software, the wind energy assessment of prone regions for installation of wind turbines in, Qorveh, has been investigated. Information was obtained from weather stations of Baneh, Bijar, Zarina, Saqez, Sanandaj, Qorveh, and Marivan. The monthly average and maximum of wind speed were investigated between the years 2000–2010 and the related curves were drawn. The Golobad curve (direction and percentage of dominant wind and calm wind as monthly rate) between the years 1997–2000 was analyzed and drawn with plot software. The ten-minute speed (at 10, 30, and 60 m height) and direction (at 37.5 and 10 m height) wind data were collected from weather stations of Iranian new energy organization. The wind speed distribution during one year was evaluated by using Weibull probability density function (two-parametrical), and the Weibull curve histograms were drawn by MATLAB software. According to the average wind speed of stations and technical specifications of the types of turbines, the suitable wind turbine for the station was selected. Finally, the Divandareh and Qorveh sites with favorable potential were considered for installation of wind turbines and construction of wind farms. PMID:27355042

Response of lead-acid batteries to chopper-controlled discharge: Preliminary results

NASA Technical Reports Server (NTRS)

Cataldo, R. L.

1978-01-01

The preliminary results of simulated electric vehicle, chopper, speed controller discharge of a battery show energy output losses up to 25 percent compared to constant current discharges at the same average discharge current of 100 amperes. These energy losses are manifested as temperature rises during discharge, amounting to a two-fold increase for a 400-ampere pulse compared to the constant current case. Because of the potentially large energy inefficiency, the results suggest that electric vehicle battery/speed controller interaction must be carefully considered in vehicle design.

Response of lead-acid batteries to chopper-controlled discharge

NASA Technical Reports Server (NTRS)

Cataldo, R. L.

1978-01-01

The preliminary results of simulated electric vehicle, chopper, speed controller discharge of a battery show energy output losses at up to 25 percent compared to constant current discharges at the same average discharge current of 100 A. These energy losses are manifested as temperature rises during discharge, amounting to a two-fold increase for a 400-A pulse compared to the constant current case. Because of the potentially large energy inefficiency, the results suggest that electric vehicle battery/speed controller interaction must be carefully considered in vehicle design.

Retrofitting solutions for two different occupancy levels of educational buildings in tropics

NASA Astrophysics Data System (ADS)

Yang, Junjing; Pantazaras, Alexandros; Lee, Siew Eang; Santamouris, Mattheos

2018-01-01

Within the multi-functionality of educational buildings, the energy conservation potential can be very different. In addition, among different retrofitting solutions investigated involving interventions on the building envelope, ventilation strategies, artificial lighting systems as well as equipment upgrading, different saving potential would come from different aspects. The opportunities for energy saving potential from the overall point of view and from the detailed aspect view of different retrofitting solutions would be very useful and important for building renovation decision making. This study presents a detailed retrofitting study of two different educational buildings. One represents a building with average occupancy variation and containing mainly offices and labs. The other one represents a building with high occupancy variation and containing mainly lecture rooms and studios. This comparison of the results gives an idea of the different energy saving potential for different types of educational buildings. Principal component analysis is also adopted to investigate the detailed performance of one of the buildings which is influenced stronger by these retrofitting solutions.

Analysis of the Exposure Levels and Potential Biologic Effects of the PAVE PAWS Radar System.

DTIC Science & Technology

1979-01-01

total body) yielded local SARs at hot spots (above the palate area and the upper part of the back of the neck) about 5 times the average values for the...increase the field intensity; whether the energy absorption is averaged over the entire body or over local areas, such as the head or particularly absorptive...animal. Full implications of the multibody effects on AAR are not completely understood, even though pilot experimental studies with anesthetized rats

Mapping of wind energy potential over the Gobi Desert in Northwest China based on multiple sources of data

NASA Astrophysics Data System (ADS)

Li, Li; Wang, Xinyuan; Luo, Lei; Zhao, Yanchuang; Zong, Xin; Bachagha, Nabil

2018-06-01

In recent years, wind energy has been a fastgrowing alternative source of electrical power due to its sustainability. In this paper, the wind energy potential over the Gobi Desert in Northwest China is assessed at the patch scale using geographic information systems (GIS). Data on land cover, topography, and administrative boundaries and 11 years (2000‒2010) of wind speed measurements were collected and used to map and estimate the region's wind energy potential. Based on the results, it was found that continuous regions of geographical potential (GeoP) are located in the middle of the research area (RA), with scattered areas of similar GeoP found in other regions. The results also show that the technical potential (TecP) levels are about 1.72‒2.67 times (2.20 times on average) higher than the actual levels. It was found that the GeoP patches can be divided into four classes: unsuitable regions, suitable regions, more suitable regions, and the most suitable regions. The GeoP estimation shows that 0.41 billion kW of wind energy are potentially available in the RA. The suitable regions account for 25.49%, the more suitable regions 24.45%, and the most suitable regions for more than half of the RA. It is also shown that Xinjiang and Gansu are more suitable for wind power development than Ningxia.

Ecosystem-Service Tradeoffs Associated with Switching from Annual to Perennial Energy Crops in Riparian Zones of the US Midwest

PubMed Central

Meehan, Timothy D.; Gratton, Claudio; Diehl, Erica; Hunt, Natalie D.; Mooney, Daniel F.; Ventura, Stephen J.; Barham, Bradford L.; Jackson, Randall D.

2013-01-01

Integration of energy crops into agricultural landscapes could promote sustainability if they are placed in ways that foster multiple ecosystem services and mitigate ecosystem disservices from existing crops. We conducted a modeling study to investigate how replacing annual energy crops with perennial energy crops along Wisconsin waterways could affect a variety of provisioning and regulating ecosystem services. We found that a switch from continuous corn production to perennial-grass production decreased annual income provisioning by 75%, although it increased annual energy provisioning by 33%, decreased annual phosphorous loading to surface water by 29%, increased below-ground carbon sequestration by 30%, decreased annual nitrous oxide emissions by 84%, increased an index of pollinator abundance by an average of 11%, and increased an index of biocontrol potential by an average of 6%. We expressed the tradeoffs between income provisioning and other ecosystem services as benefit-cost ratios. Benefit-cost ratios averaged 12.06 GJ of additional net energy, 0.84 kg of avoided phosphorus pollution, 18.97 Mg of sequestered carbon, and 1.99 kg of avoided nitrous oxide emissions for every $1,000 reduction in income. These ratios varied spatially, from 2- to 70-fold depending on the ecosystem service. Benefit-cost ratios for different ecosystem services were generally correlated within watersheds, suggesting the presence of hotspots – watersheds where increases in multiple ecosystem services would come at lower-than-average opportunity costs. When assessing the monetary value of ecosystem services relative to existing conservation programs and environmental markets, the overall value of enhanced services associated with adoption of perennial energy crops was far lower than the opportunity cost. However, when we monitized services using estimates for the social costs of pollution, the value of enhanced services far exceeded the opportunity cost. This disparity between recoverable costs and social value represents a fundamental challenge to expansion of perennial energy crops and sustainable agricultural landscapes. PMID:24223215

Ecosystem-service tradeoffs associated with switching from annual to perennial energy crops in riparian zones of the US Midwest.

PubMed

Meehan, Timothy D; Gratton, Claudio; Diehl, Erica; Hunt, Natalie D; Mooney, Daniel F; Ventura, Stephen J; Barham, Bradford L; Jackson, Randall D

2013-01-01

Integration of energy crops into agricultural landscapes could promote sustainability if they are placed in ways that foster multiple ecosystem services and mitigate ecosystem disservices from existing crops. We conducted a modeling study to investigate how replacing annual energy crops with perennial energy crops along Wisconsin waterways could affect a variety of provisioning and regulating ecosystem services. We found that a switch from continuous corn production to perennial-grass production decreased annual income provisioning by 75%, although it increased annual energy provisioning by 33%, decreased annual phosphorous loading to surface water by 29%, increased below-ground carbon sequestration by 30%, decreased annual nitrous oxide emissions by 84%, increased an index of pollinator abundance by an average of 11%, and increased an index of biocontrol potential by an average of 6%. We expressed the tradeoffs between income provisioning and other ecosystem services as benefit-cost ratios. Benefit-cost ratios averaged 12.06 GJ of additional net energy, 0.84 kg of avoided phosphorus pollution, 18.97 Mg of sequestered carbon, and 1.99 kg of avoided nitrous oxide emissions for every $1,000 reduction in income. These ratios varied spatially, from 2- to 70-fold depending on the ecosystem service. Benefit-cost ratios for different ecosystem services were generally correlated within watersheds, suggesting the presence of hotspots--watersheds where increases in multiple ecosystem services would come at lower-than-average opportunity costs. When assessing the monetary value of ecosystem services relative to existing conservation programs and environmental markets, the overall value of enhanced services associated with adoption of perennial energy crops was far lower than the opportunity cost. However, when we monitized services using estimates for the social costs of pollution, the value of enhanced services far exceeded the opportunity cost. This disparity between recoverable costs and social value represents a fundamental challenge to expansion of perennial energy crops and sustainable agricultural landscapes.

Prospective Evaluation of the Energy and CO 2 Emissions Impact of China’s 2010 – 2013 Efficiency Standards for Products

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

Khanna, Nina; Zhou, Nan; Fridley, David

Since China introduced its first mandatory minimum energy performance standards (MEPS) for eight major household products in 1989, its MEPS program has expanded significantly to cover nearly 60 residential, industrial and commercial products. In June of 2012, the pace of standards development for new and revised standards was further accelerated with the launch of the national “100 Energy Efficiency Standards.” Initiatives. An unprecedented 21 MEPS were adopted by China from 2012 to 2013, compared to only 7 MEPS adopted from 2010 to 2011. The Chinese MEPS program now covers 15 products in the residential sector, 15 types of commercial andmore » office equipment, 14 types of industrial equipment and 13 lighting products, making it one of the most comprehensive MEPS program in the world. This study provides an updated prospective evaluation of the potential energy and CO 2 impact of 23 of the 28 MEPS adopted by China from 2010 to 2013. This study updates a previous analysis (Zhou et al. 2011) by quantifying the additional potential energy and CO 2 reductions from the newest standards that have been adopted since 2010. The most recent actual and projected sales, usage, and efficiency data were collected for 14 product categories covered under 23 MEPS adopted between 2010 and 2013. Three scenarios are then used to quantify the energy and CO 2 reduction potential of the one-time implementation of these 23 MEPS, including a baseline counterfactual scenario, the actual MEPS scenario and a best available technologies efficiency scenario. The setting of the baseline efficiency is crucial to determining the savings potential of the new and revised MEPS and international best available technology efficiency levels, as it reflects the market average in the absence of MEPS. For this study, the average baseline is based on either the reported 2010 market-average efficiency if sales-weighted efficiency data is available for new product MEPS and selected products with revised MEPS, or the minimum efficiency requirement of the previous MEPS for products with revised MEPS from 2010 to 2013 that do not have sales-weighted efficiency data. Using sales-weighted efficiency data for the baseline help capture market transformation that has already occurred prior to the implementation of the MEPS, and can better differentiate the savings that are attributable to MEPS. The efficiency levels of best available technologies are taken from recent reviews of international commercially available best available technologies.« less

Energy consumption quota management of Wanda commercial buildings in China

NASA Astrophysics Data System (ADS)

Sun, D. B.; Xiao, H.; Wang, X.; Liu, J. J.; Wang, X.; Jin, X. Q.; Wang, J.; Xie, X. K.

2016-08-01

There is limited research of commercial buildings’ energy use data conducted based on practical analysis in China nowadays. Some energy consumption quota tools like Energy Star in U.S or VDI 3807 in Germany have limitation in China's building sector. This study introduces an innovative methodology of applying energy use quota model and empirical management to commercial buildings, which was in accordance of more than one hundred opened shopping centers of a real estate group in China. On the basis of statistical benchmarking, a new concept of “Modified coefficient”, which considers weather, occupancy, business layout, operation schedule and HVAC efficiency, is originally introduced in this paper. Our study shows that the average energy use quota increases from north to south. The average energy use quota of sample buildings is 159 kWh/(m2.a) of severe cold climate zone, 179 kWh/(m2.a) of cold zone, 188 kWh/(m2.a) of hot summer and cold winter zone, and 200 kWh/(m2.a) of hot summer and warm winter zone. The energy use quota model has been validated in the property management for year 2016, providing a new method of commercial building energy management to the industry. As a key result, there is 180 million energy saving potential based on energy quota management in 2016, equals to 6.2% saving rate of actual energy use in 2015.

Energy potential of leafy spurge (Euphorbia esula)

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

Maxwell, B.D.; Wiatr, S.M.; Fay, P.K.

1985-01-01

Leafy spurge (Euphorbia esula) is a noxious, perennial weed that infests pastures, range land and waste areas in the northern Great Plains. The objective of this study was to determine the productive potential of this species when grown under optimum agronomic conditions. Plants were fertilized and irrigated. Oil, hydrocarbon, total protein, and dry-weight production were measured on 3 harvest dates. Calorimetric analyses were performed to determine the potential of leafy spurge as a fuel crop. The hydrocarbon content of 12 strains of leafy spurge was determined to measure genetic variability for this trait. The addition of fertilizer doubled dry-weight productionmore » but did not affect percent oil or hydrocarbon content. Oil and hydrocarbon production averaged 6.8 and 0.6% on a plant dry-weight basis. Maximum production of plant biomass, protein, and hydrocarbon was obtained from a mid-July harvest. Oil content increased later in the growing season. The total protein content of leafy spurge averaged 12%. Whole-plant biomass had a caloric value of 4407 cal/g while the oils contained 10,019 cal/g. Leafy spurge hay can produce 4 times more energy per year than wheat straw; therefore, the immediate potential of leafy spurge whole-plant biomass as a locally grown fuel crop for home-heating purposes is suggested.« less

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.

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

NASA Astrophysics Data System (ADS)

Santarius, Tilman

2015-03-01

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

Explicit correlation treatment of the six-dimensional potential energy surface and predicted infrared spectra for OCS-H2

NASA Astrophysics Data System (ADS)

Liu, Jing-Min; Zhai, Yu; Li, Hui

2017-07-01

An effective six-dimensional ab initio potential energy surface (PES) for H2-OCS which explicitly includes the intramolecular stretch normal modes of carbonyl sulfide (OCS) is presented. The electronic structure computations are carried out using the explicitly correlated coupled cluster [CCSD(T)-F12] method with the augmented correlation-consistent aug-cc-pVTZ basis set, and the accuracy is critically tested by performing a series of benchmark calculations. Analytic four-dimensional PESs are obtained by least-squares fitting vibrationally averaged interaction energies to the Morse/long-range potential model. These fits to 13 485 points have a root-mean-square deviation (RMSD) of 0.16 cm-1. The combined radial discrete variable representation/angular finite basis representation method and the Lanczos algorithm were employed to evaluate the rovibrational energy levels for five isotopic species of the OCS-hydrogen complexes. The predicted transition frequencies and intensities based on the resulting vibrationally averaged PESs are in good agreement with the available experimental values, whose RMSDs are smaller than 0.004 cm-1 for five different species of OCS-hydrogen complexes. The calculated infrared band origin shifts for all five species of OCS-hydrogen complexes are only 0.03 cm-1 smaller than the corresponding experimental values. These validate the high quality of our PESs which can be used for modeling OCS doped in hydrogen clusters to further study quantum solution and microscopic superfluidity. In addition, the analytic coordinate transformation functions between isotopologues are also derived due to the center of mass shifting of different isotope substitutes.

Current and future industrial energy service characterizations. Volume III. Energy data on 15 selected states' manufacturing subsector

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

Krawiec, F.; Thomas, T.; Jackson, F.

1980-11-01

An examination is made of the current and future energy demands, and uses, and cost to characterize typical applications and resulting services in the US and industrial sectors of 15 selected states. Volume III presents tables containing data on selected states' manufacturing subsector energy consumption, functional uses, and cost in 1974 and 1976. Alabama, California, Illinois, Indiana, Louisiana, Michigan, Missouri, New Jersey, New York, Ohio, Oregon, Pennsylvania, Texas, West Virginia, and Wisconsin were chosen as having the greatest potential for replacing conventional fuel with solar energy. Basic data on the quantities, cost, and types of fuel and electric energy purchasedmore » by industr for heat and power were obtained from the 1974 and 1976 Annual Survey of Manufacturers. The specific indutrial energy servic cracteristics developed for each selected state include. 1974 and 1976 manufacturing subsector fuels and electricity consumption by 2-, 3-, and 4-digit SIC and primary fuel (quantity and relative share); 1974 and 1976 manufacturing subsector fuel consumption by 2-, 3-, and 4-digit SIC and primary fuel (quantity and relative share); 1974 and 1976 manufacturing subsector average cost of purchsed fuels and electricity per million Btu by 2-, 3-, and 4-digit SIC and primary fuel (in 1976 dollars); 1974 and 1976 manufacturing subsector fuels and electric energy intensity by 2-, 3-, and 4-digit SIC and primary fuel (in 1976 dollars); manufacturing subsector average annual growth rates of (1) fuels and electricity consumption, (2) fuels and electric energy intensity, and (3) average cost of purchased fuels and electricity (1974 to 1976). Data are compiled on purchased fuels, distillate fuel oil, residual ful oil, coal, coal, and breeze, and natural gas. (MCW)« less

Ab initio molecular dynamics study of thermite reaction at Al and CuO nano-interfaces at different temperatures

NASA Astrophysics Data System (ADS)

Tang, Cui-Ming; Chen, Xiao-Xu; Cheng, Xin-Lu; Zhang, Chao-Yang; Lu, Zhi-Peng

2018-05-01

The thermite reaction at Al/CuO nano-interfaces is investigated with ab initio molecular dynamics calculations in canonical ensemble at 500 K, 800 K, 1200 K and 1500 K, respectively. The reaction process and reaction products are analyzed in terms of chemical bonds, average charge, time constants and total potential energy. The activity of the reactants enhances with increasing temperature, which induces a faster thermite reaction. The alloy reaction obviously expands outward at Cu-rich interface of Al/CuO system, and the reaction between Al and O atoms obviously expands outward at O-rich interface as temperature increases. Different reaction products are found at the outermost layer of different interfaces in the Al/CuO system. In generally, the average charge of the outer layer aluminum atoms (i.e., Al1, Al2, Al5 and Al6) increases with temperature. The potential energy of Al/CuO system decreases significantly, which indicates that drastic exothermic reaction occurs at the Al/CuO system. This research enhances fundamental understanding in temperature effect on the thermite reaction at atomic level, which can potentially open new possibilities for its industrial application.

The structure of the NO(X (2)Pi)-N(2) complex: A joint experimental-theoretical study.

PubMed

Wen, B; Meyer, H; Kłos, J

2010-04-21

We report the first measurement of the spectrum of the NO-N(2) complex in the region of the first vibrational NO overtone transition. The origin band of the complex is blueshifted by 0.30 cm(-1) from the corresponding NO monomer frequency. The observed spectrum consists of three bands assigned to the origin band, the excitation of one quantum of z-axis rotation and one associated hot band. The spacing of the bands and the rotational structure indicate a T-shaped vibrationally averaged structure with the NO molecule forming the top of the T. These findings are confirmed by high level ab initio calculations of the potential energy surfaces in planar symmetry. The deepest minimum is found for a T-shaped geometry on the A(")-surface. As a result the sum potential also has the global minimum for this structure. The different potential surfaces show several additional local minima at slightly higher energies indicating that the complex most likely will perform large amplitude motion even in its ground vibrational state. Nevertheless, as suggested by the measured spectra, the complex must, on average, spend a substantial amount of time near the T-shaped configuration.

Temperature gradients due to adiabatic plasma expansion in a magnetic nozzle

NASA Astrophysics Data System (ADS)

Sheehan, J. P.; Longmier, B. W.; Bering, E. A.; Olsen, C. S.; Squire, J. P.; Ballenger, M. G.; Carter, M. D.; Cassady, L. D.; Díaz, F. R. Chang; Glover, T. W.; Ilin, A. V.

2014-08-01

A mechanism for ambipolar ion acceleration in a magnetic nozzle is proposed. The plasma is adiabatic (i.e., does not exchange energy with its surroundings) in the diverging section of a magnetic nozzle so any energy lost by the electrons must be transferred to the ions via the electric field. Fluid theory indicates that the change in plasma potential is proportional to the change in average electron energy. These predictions were compared to measurements in the VX-200 experiment which has conditions conducive to ambipolar ion acceleration. A planar Langmuir probe was used to measure the plasma potential, electron density, and electron temperature for a range of mass flow rates and power levels. Axial profiles of those parameters were also measured, showing consistency with the adiabatic ambipolar fluid theory.

Architectures for wrist-worn energy harvesting

NASA Astrophysics Data System (ADS)

Rantz, R.; Halim, M. A.; Xue, T.; Zhang, Q.; Gu, L.; Yang, K.; Roundy, S.

2018-04-01

This paper reports the simulation-based analysis of six dynamical structures with respect to their wrist-worn vibration energy harvesting capability. This work approaches the problem of maximizing energy harvesting potential at the wrist by considering multiple mechanical substructures; rotational and linear motion-based architectures are examined. Mathematical models are developed and experimentally corroborated. An optimization routine is applied to the proposed architectures to maximize average power output and allow for comparison. The addition of a linear spring element to the structures has the potential to improve power output; for example, in the case of rotational structures, a 211% improvement in power output was estimated under real walking excitation. The analysis concludes that a sprung rotational harvester architecture outperforms a sprung linear architecture by 66% when real walking data is used as input to the simulations.

Renewable energy load assessment for Boquillas Del Carmen Coahuila, Mexico

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

Foster, R.

1995-08-01

This report outlines the estimates that were made in 1992 of the potential load requirements for Boquillas del Carmen, a small Mexican village on the northern border of the state of Coahuila, Mexico near Big Bend National Park in southern Texas. The study was made to help determine the possibility that village might be electrified by solar or wind energy. Various estimates of are given of the potential load based on estimates ranging from basic use of lights, radio, television, and small household appliances to microwave ovens, refrigerators, and direct evaporative coolers. The low-energy consumption case was estimated to bemore » at 23.0 kWh/month per residence per month, and the high-energy consumption case (with cooling) was 140.7 kWh/month per residence. On average, the typical residence is occupied by five individuals.« less

Broad ion energy distributions in helicon wave-coupled helium plasma

NASA Astrophysics Data System (ADS)

Woller, K. B.; Whyte, D. G.; Wright, G. M.

2017-05-01

Helium ion energy distributions were measured in helicon wave-coupled plasmas of the dynamics of ion implantation and sputtering of surface experiment using a retarding field energy analyzer. The shape of the energy distribution is a double-peak, characteristic of radiofrequency plasma potential modulation. The broad distribution is located within a radius of 0.8 cm, while the quartz tube of the plasma source has an inner radius of 2.2 cm. The ion energy distribution rapidly changes from a double-peak to a single peak in the radius range of 0.7-0.9 cm. The average ion energy is approximately uniform across the plasma column including the double-peak and single peak regions. The widths of the broad distribution, ΔE , in the wave-coupled mode are large compared to the time-averaged ion energy, ⟨E ⟩. On the axis (r = 0), ΔE / ⟨E ⟩ ≲ 3.4, and at a radius near the edge of the plasma column (r = 2.2 cm), ΔE / ⟨E ⟩ ˜ 1.2. The discharge parameter space is scanned to investigate the effects of the magnetic field, input power, and chamber fill pressure on the wave-coupled mode that exhibits the sharp radial variation in the ion energy distribution.

Fundamental formulae for wave-energy conversion

PubMed Central

Falnes, Johannes; Kurniawan, Adi

2015-01-01

The time-average wave power that is absorbed from an incident wave by means of a wave-energy conversion (WEC) unit, or by an array of WEC units—i.e. oscillating immersed bodies and/or oscillating water columns (OWCs)—may be mathematically expressed in terms of the WEC units' complex oscillation amplitudes, or in terms of the generated outgoing (diffracted plus radiated) waves, or alternatively, in terms of the radiated waves alone. Following recent controversy, the corresponding three optional expressions are derived, compared and discussed in this paper. They all provide the correct time-average absorbed power. However, only the first-mentioned expression is applicable to quantify the instantaneous absorbed wave power and the associated reactive power. In this connection, new formulae are derived that relate the ‘added-mass’ matrix, as well as a couple of additional reactive radiation-parameter matrices, to the difference between kinetic energy and potential energy in the water surrounding the immersed oscillating WEC array. Further, a complex collective oscillation amplitude is introduced, which makes it possible to derive, by a very simple algebraic method, various simple expressions for the maximum time-average wave power that may be absorbed by the WEC array. The real-valued time-average absorbed power is illustrated as an axisymmetric paraboloid defined on the complex collective-amplitude plane. This is a simple illustration of the so-called ‘fundamental theorem for wave power’. Finally, the paper also presents a new derivation that extends a recently published result on the direction-average maximum absorbed wave power to cases where the WEC array's radiation damping matrix may be singular and where the WEC array may contain OWCs in addition to oscillating bodies. PMID:26064612

Fundamental formulae for wave-energy conversion.

PubMed

Falnes, Johannes; Kurniawan, Adi

2015-03-01

The time-average wave power that is absorbed from an incident wave by means of a wave-energy conversion (WEC) unit, or by an array of WEC units-i.e. oscillating immersed bodies and/or oscillating water columns (OWCs)-may be mathematically expressed in terms of the WEC units' complex oscillation amplitudes, or in terms of the generated outgoing (diffracted plus radiated) waves, or alternatively, in terms of the radiated waves alone. Following recent controversy, the corresponding three optional expressions are derived, compared and discussed in this paper. They all provide the correct time-average absorbed power. However, only the first-mentioned expression is applicable to quantify the instantaneous absorbed wave power and the associated reactive power. In this connection, new formulae are derived that relate the 'added-mass' matrix, as well as a couple of additional reactive radiation-parameter matrices, to the difference between kinetic energy and potential energy in the water surrounding the immersed oscillating WEC array. Further, a complex collective oscillation amplitude is introduced, which makes it possible to derive, by a very simple algebraic method, various simple expressions for the maximum time-average wave power that may be absorbed by the WEC array. The real-valued time-average absorbed power is illustrated as an axisymmetric paraboloid defined on the complex collective-amplitude plane. This is a simple illustration of the so-called 'fundamental theorem for wave power'. Finally, the paper also presents a new derivation that extends a recently published result on the direction-average maximum absorbed wave power to cases where the WEC array's radiation damping matrix may be singular and where the WEC array may contain OWCs in addition to oscillating bodies.

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

Akkelin, S.V.; Sinyukov, Yu.M.

A method allowing analysis of the overpopulation of phase space in heavy ion collisions in a model-independent way is proposed within the hydrodynamic approach. It makes it possible to extract a chemical potential of thermal pions at freeze-out, irrespective of the form of freeze-out (isothermal) hypersurface in Minkowski space and transverse flows on it. The contributions of resonance (with masses up to 2 GeV) decays to spectra, interferometry volumes, and phase-space densities are calculated and discussed in detail. The estimates of average phase-space densities and chemical potentials of thermal pions are obtained for SPS and RHIC energies. They demonstrate thatmore » multibosonic phenomena at those energies might be considered as a correction factor rather than as a significant physical effect. The analysis of the evolution of the pion average phase-space density in chemically frozen hadron systems shows that it is almost constant or slightly increases with time while the particle density and phase-space density at each space point decreases rapidly during the system's expansion. We found that, unlike the particle density, the average phase-space density has no direct link to the freeze-out criterion and final thermodynamic parameters, being connected rather to the initial phase-space density of hadronic matter formed in relativistic nucleus-nucleus collisions.« less

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

Stiegler, Thomas; Sadus, Richard J., E-mail: rsadus@swin.edu.au

General methods for combining interactions between particles characterised by non-identical intermolecular potentials are investigated. The combination methods are tested by performing molecular dynamics simulations to determine the pressure, energy, isochoric and isobaric heat capacities, thermal expansion coefficient, isothermal compressibility, Joule-Thomson coefficient, and speed of sound of 10-5 + 12-6 Mie potential binary mixtures. In addition to the two non-identical Mie potentials, mixtures are also studied with non-identical intermolecular parameters. The combination methods are compared with results obtained by simply averaging the Mie exponents. When either the energy or size parameters are non-identical, very significant differences emerge in the thermodynamic propertiesmore » predicted by the alternative combination methods. The isobaric heat capacity is the thermodynamic property that is most affected by the relative magnitude of the intermolecular potential parameters and the method for combining non-identical potentials. Either the arithmetic or geometric combination of potentials provides a simple and effective way of performing simulations involving mixtures of components characterised by non-identical intermolecular potentials, which is independent of their functional form.« less

Stability-Aware Geographic Routing in Energy Harvesting Wireless Sensor Networks

PubMed Central

Hieu, Tran Dinh; Dung, Le The; Kim, Byung-Seo

2016-01-01

A new generation of wireless sensor networks that harvest energy from environmental sources such as solar, vibration, and thermoelectric to power sensor nodes is emerging to solve the problem of energy limitation. Based on the photo-voltaic model, this research proposes a stability-aware geographic routing for reliable data transmissions in energy-harvesting wireless sensor networks (EH-WSNs) to provide a reliable routes selection method and potentially achieve an unlimited network lifetime. Specifically, the influences of link quality, represented by the estimated packet reception rate, on network performance is investigated. Simulation results show that the proposed method outperforms an energy-harvesting-aware method in terms of energy consumption, the average number of hops, and the packet delivery ratio. PMID:27187414

Water and Land Use Efficiency in Current and Potential Future US Corn and Brazilian Sugarcane Ethanol Systems

NASA Astrophysics Data System (ADS)

Warner, E. S.; Zhang, Y.; Newmark, R. L.

2012-12-01

Biofuels represent an opportunity for domestic fuel production from renewable energy sources with potential environmental and social benefits such as reducing greenhouse gas (GHG) and promoting rural development. However, as demand for biofuel continues to increase worldwide, concerns about land competition between food and fuel, excessive water usage and other unintended environmental consequences have grown. Through a comparative study between US corn ethanol and Brazilian sugarcane ethanol, we examine the energy, land, water and GHG performance of the two largest industrial fuel ethanol production systems in the world. Our comparisons include current and potential future systems with improved agronomic practices, crop yields, ethanol conversion processes, and utilization of agricultural residues. Our results suggest that the average water footprints of US corn ethanol and Brazilian sugarcane ethanol are fairly close (108 and 110 m3/GJ of ethanol, respectively) while the variations can range from 50 to 250 m3/GJ for sugarcane ethanol and 50 to380 m3/GJ for corn ethanol. Results emphasize the need to examine the water footprint within the context of local and regional climatic variability, water availability, competing uses (e.g. agricultural, industrial, and municipal water needs) and other ecosystem constraints. Research is under way (at the National Renewable Energy Laboratory and other institutions) to develop models to analyze water supply and demand at the watershed-scale for current and future biomass production, and to understand the tradeoffs among water supply, demand and quality due to more intensive agricultural practices and expansion of biofuels. Land use efficiency metrics, with regards to life cycle GHG emissions (without land use change) savings through gasoline displacement with ethanol, illustrate the progression of the biofuel industry and the importance of maximizing bioenergy production by utilizing both the crops and the residues. A recent average sugarcane ethanol system producing ethanol and electricity can save about 13 Mg CO2eq/ha of land compared to 12 in the early 2000s, while a recent average corn ethanol system saves about 6.2 Mg CO2eq/ha compared to near zero GHG savings in the early 2000s. The net energy balance (i.e., energy produced minus energy consumed) per ha for a recent average sugarcane ethanol system producing both ethanol and electricity is about 160 GJ/ha compared to 140 GJ/ha in early 2000s, while the recent average corn ethanol system achieves a net energy production of about 90 GJ/ha compares to only 30 GJ/ha in the early 2000s. The land use efficiency of corn and sugarcane ethanol systems, especially future systems, can vary depending on factors such as the assumed technologies, the suite of co-products produced, field practices, and technological learning. For example, projected future (2020) advanced sugarcane ethanol systems could save 22 Mg CO2eq/ha while an advanced corn ethanol system using integrated gasification of corn stover for electricity production could save 9.3Mg CO2eq/ha. Future advanced sugarcane ethanol systems could produce 210 GJ of net energy/ha while an advanced corn ethanol system using integrated gasification of corn stover for electricity production could achieve 110 GJ/ha.

A review on energy harvesting approaches for renewable energies from ambient vibrations and acoustic waves using piezoelectricity

NASA Astrophysics Data System (ADS)

Ahmed, Riaz; Mir, Fariha; Banerjee, Sourav

2017-08-01

The principal objective of this article is to categorically review and compare the state of the art vibration based energy harvesting approaches. To evaluate the contemporary methodologies with respect to their physics, average power output and operational frequencies, systematically divided and easy readable tables are presented followed by the description of the energy harvesting methods. Energy harvesting is the process of obtaining electrical energy from the surrounding vibratory mechanical systems through an energy conversion method using smart structures, like, piezoelectric, electrostatic materials. Recent advancements in low power electronic gadgets, micro electro mechanical systems, and wireless sensors have significantly increased local power demand. In order to circumvent the energy demand; to allow limitless power supply, and to avoid chemical waste from conventional batteries, low power local energy harvesters are proposed for harvesting energy from different ambient energy sources. Piezoelectric materials have received tremendous interest in energy harvesting technology due to its unique ability to capitalize the ambient vibrations to generate electric potential. Their crystalline configuration allows the material to convert mechanical strain energy into electrical potential, and vice versa. This article discusses the various approaches in vibration based energy scavenging where piezoelectric materials are employed as the energy conversion medium.

Non-collinear magnetism with analytic Bond-Order Potentials

NASA Astrophysics Data System (ADS)

Ford, Michael E.; Pettifor, D. G.; Drautz, Ralf

2015-03-01

The theory of analytic Bond-Order Potentials as applied to non-collinear magnetic structures of transition metals is extended to take into account explicit rotations of Hamiltonian and local moment matrix elements between locally and globally defined spin-coordinate systems. Expressions for the gradients of the energy with respect to the Hamiltonian matrix elements, the interatomic forces and the magnetic torques are derived. The method is applied to simulations of the rotation of magnetic moments in α iron, as well as α and β manganese, based on d-valent orthogonal tight-binding parametrizations of the electronic structure. A new weighted-average terminator is introduced to improve the convergence of the Bond-Order Potential energies and torques with respect to tight-binding reference values, although the general behavior is qualitatively correct for low-moment expansions.

Coherent Vortices in Strongly Coupled Liquids

NASA Astrophysics Data System (ADS)

Ashwin, J.; Ganesh, R.

2011-04-01

Strongly coupled liquids are ubiquitous in both nature and laboratory plasma experiments. They are unique in the sense that their average potential energy per particle dominates over the average kinetic energy. Using “first principles” molecular dynamics (MD) simulations, we report for the first time the emergence of isolated coherent tripolar vortices from the evolution of axisymmetric flows in a prototype two-dimensional (2D) strongly coupled liquid, namely, the Yukawa liquid. Linear growth rates directly obtained from MD simulations are compared with a generalized hydrodynamic model. Our MD simulations reveal that the tripolar vortices persist over several turn over times and hence may be observed in strongly coupled liquids such as complex plasma, liquid metals and astrophysical systems such as white dwarfs and giant planetary interiors, thereby making the phenomenon universal.

Quantum mechanical characterization of the He4ICl weakly bound complex.

PubMed

Valdés, Álvaro; Prosmiti, Rita

2013-08-15

Vibrational calculations are performed for the 12-dimensional He4ICl van der Waals complex using the multiconfiguration time-dependent Hartree (MCTDH) method. The potential energy surface of the cluster is represented as a sum of the triatomic He-ICl ab initio parametrized terms plus the He-He interactions. The topology of the potential presents higher anisotropy compared to the one with a homonuclear dopant, and this is clearly reflected in the structure and energetics of the low-lying conformers of the system. In order to take advantage of the MCTDH method, natural potential fits are employed for the potential energy operator, and also, a mode combination scheme is introduced in order to speed up the computations. Zero-point energy, binding energies, and vibrationally averaged structures of different isomers of the He4ICl cluster are obtained. The present results predict that the (3,1,0) structure, involving three He atoms in the near T-shaped and one He atom in the linear configurations, to be the most stable one in accord with recent experimental findings. Comparisons with previous theoretical and experimental data are presented, and the stability of the high-order conformers is discussed in connection with the multiple minima (global and local) of the underlying potential surface.

16 CFR Appendix K to Part 305 - Representative Average Unit Energy Costs

Code of Federal Regulations, 2014 CFR

2014-01-01

... 16 Commercial Practices 1 2014-01-01 2014-01-01 false Representative Average Unit Energy Costs K... CONGRESS ENERGY AND WATER USE LABELING FOR CONSUMER PRODUCTS UNDER THE ENERGY POLICY AND CONSERVATION ACT (âENERGY LABELING RULEâ) Pt. 305, App. K Appendix K to Part 305—Representative Average Unit Energy...

Zero-point corrections and temperature dependence of HD spin-spin coupling constants of heavy metal hydride and dihydrogen complexes calculated by vibrational averaging.

PubMed

Mort, Brendan C; Autschbach, Jochen

2006-08-09

Vibrational corrections (zero-point and temperature dependent) of the H-D spin-spin coupling constant J(HD) for six transition metal hydride and dihydrogen complexes have been computed from a vibrational average of J(HD) as a function of temperature. Effective (vibrationally averaged) H-D distances have also been determined. The very strong temperature dependence of J(HD) for one of the complexes, [Ir(dmpm)Cp*H2]2 + (dmpm = bis(dimethylphosphino)methane) can be modeled simply by the Boltzmann average of the zero-point vibrationally averaged JHD of two isomers. For this complex and four others, the vibrational corrections to JHD are shown to be highly significant and lead to improved agreement between theory and experiment in most cases. The zero-point vibrational correction is important for all complexes. Depending on the shape of the potential energy and J-coupling surfaces, for some of the complexes higher vibrationally excited states can also contribute to the vibrational corrections at temperatures above 0 K and lead to a temperature dependence. We identify different classes of complexes where a significant temperature dependence of J(HD) may or may not occur for different reasons. A method is outlined by which the temperature dependence of the HD spin-spin coupling constant can be determined with standard quantum chemistry software. Comparisons are made with experimental data and previously calculated values where applicable. We also discuss an example where a low-order expansion around the minimum of a complicated potential energy surface appears not to be sufficient for reproducing the experimentally observed temperature dependence.

Capturing RNA Folding Free Energy with Coarse-Grained Molecular Dynamics Simulations

PubMed Central

Bell, David R.; Cheng, Sara Y.; Salazar, Heber; Ren, Pengyu

2017-01-01

We introduce a coarse-grained RNA model for molecular dynamics simulations, RACER (RnA CoarsE-gRained). RACER achieves accurate native structure prediction for a number of RNAs (average RMSD of 2.93 Å) and the sequence-specific variation of free energy is in excellent agreement with experimentally measured stabilities (R2 = 0.93). Using RACER, we identified hydrogen-bonding (or base pairing), base stacking, and electrostatic interactions as essential driving forces for RNA folding. Also, we found that separating pairing vs. stacking interactions allowed RACER to distinguish folded vs. unfolded states. In RACER, base pairing and stacking interactions each provide an approximate stability of 3–4 kcal/mol for an A-form helix. RACER was developed based on PDB structural statistics and experimental thermodynamic data. In contrast with previous work, RACER implements a novel effective vdW potential energy function, which led us to re-parameterize hydrogen bond and electrostatic potential energy functions. Further, RACER is validated and optimized using a simulated annealing protocol to generate potential energy vs. RMSD landscapes. Finally, RACER is tested using extensive equilibrium pulling simulations (0.86 ms total) on eleven RNA sequences (hairpins and duplexes). PMID:28393861

Bioenergy Potential from Food Waste in California

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

Breunig, Hanna M.; Jin, Ling; Robinson, Alastair

This paper presents the first detailed analysis of monthly food waste generation in California at a county level, and its potential contribution to the state's energy production. Scenarios that rely on excess capacity at existing anaerobic digester (AD) and solid biomass combustion facilities, and alternatives that allow for new facility construction, are developed and modeled. Potential monthly electricity generation from the conversion of gross food waste using a combination of AD and combustion varies from 420 to 700 MW, averaging 530 MW. At least 66% of gross high moisture solids and 23% of gross low moisture solids can be treatedmore » using existing county infrastructure, and this fraction increases to 99% of high moisture solids and 55% of low moisture solids if waste can be shipped anywhere within the state. Biogas flaring practices at AD facilities can reduce potential energy production by 10 to 40%.« less

Note: Modification of the Gay-Berne potential for improved accuracy and speed

NASA Astrophysics Data System (ADS)

Persson, Rasmus A. X.

2012-06-01

A modification of the Gay-Berne (GB) potential is proposed which is about 10% to 20% more speed efficient and statistically more accurate in reproducing the energy of interaction of two linear Lennard-Jones tetratomics when averaged over all orientations. For the special cases of end-to-end and side-by-side configurations, the new potential is equivalent to the GB one. A simple generalization to dissimilar particles of D∞h symmetry is presented but does not retain the superior agreement with respect to its GB counterpart, except at close range.

Enhancement of biogas production by co-digestion of potato pulp with cow manure in a CSTR system.

PubMed

Sanaei-Moghadam, Akbar; Abbaspour-Fard, Mohammad Hossein; Aghel, Hasan; Aghkhani, Mohammad Hossein; Abedini-Torghabeh, Javad

2014-08-01

Anaerobic digestion (AD) process is a well-established method to generate energy from the organic wastes both from the environmental and economical perspectives. The purpose of present study is to evaluate energy production from potato wastes by incorporating cow manure into the process. Firstly, a laboratory pilot of one-stage biogas production was designed and built according to continuously stirred tank reactor (CSTR) system. The setup was able to automatically control the environmental conditions of the process including temperature, duration, and rate of stirring. AD experiment was exclusively performed on co-digestion of potato peel (PP) and cow manure (CM) in three levels of mixing ratio including 20:80, 50:50, 80:20 (PP:CM), and 0:100 as control treatment based on the volatile solid (VS) weight without adding initial inoculums. After hydraulic retention time (HRT) of 50 days on average 193, 256, 348, and 149 norm liter (LN) (kg VS)(-1), methane was produced for different mixing ratios, respectively. Statistical analysis shows that these gas productions are significantly different. The average energy was determined based on the produced methane which was about 2.8 kWh (kg VS)(-1), implying a significant energy production potential. The average chemical oxygen demand (COD) removal of treatments was about 61%, showing that it can be leached significantly with high organic matter by the employed pilot. The energy efficiency of 92% of the process also showed the optimum control of the process by the pilot.

A first-principles study on adsorption behaviors of pristine and Li-decorated graphene sheets toward hydrazine molecules

NASA Astrophysics Data System (ADS)

Zeng, Huadong; Cheng, Xinlu; Wang, Wei

2018-03-01

The adsorption behaviors and properties of hydrazine (N2H4) molecules on pristine and Li-decorated graphene sheets were investigated by means of first-principles based on density functional theory. We systematically analyzed the optimal geometry, average binding energy, charge transfer, charge density difference and density of states of N2H4 molecules adsorbed on pristine and Li-decorated graphene sheets. It is found that the interaction between single N2H4 molecule and pristine graphene is weak physisorption with the low binding energy of -0.026 eV, suggesting that the pristine graphene sheet is insensitive to the presence of N2H4 molecule. However, it is markedly enhanced after lithium decoration with the high binding energy of -1.004 eV, verifying that the Li-decorated graphene sheet is significantly sensitive to detect N2H4 molecule. Meanwhile, the effects of the concentrations of N2H4 molecules on two different substrates were studied detailedly. For pristine graphene substrate, the average binding energy augments apparently with increasing the number of N2H4 molecules, which is mainly attributed to the van der Waals interactions and hydrogen bonds among N2H4 clusters. Li-decorated graphene sheet has still a strong affinity to N2H4 molecules despite the corresponding average binding energy emerges a contrary tendency. Overall, Li-decorated graphene sheet could be considered as a potential gas sensor in field of hydrazine molecules.

Spectral CT Image Restoration via an Average Image-Induced Nonlocal Means Filter.

PubMed

Zeng, Dong; Huang, Jing; Zhang, Hua; Bian, Zhaoying; Niu, Shanzhou; Zhang, Zhang; Feng, Qianjin; Chen, Wufan; Ma, Jianhua

2016-05-01

Spectral computed tomography (SCT) images reconstructed by an analytical approach often suffer from a poor signal-to-noise ratio and strong streak artifacts when sufficient photon counts are not available in SCT imaging. In reducing noise-induced artifacts in SCT images, in this study, we propose an average image-induced nonlocal means (aviNLM) filter for each energy-specific image restoration.  Methods:  The present aviNLM algorithm exploits redundant information in the whole energy domain. Specifically, the proposed aviNLM algorithm yields the restored results by performing a nonlocal weighted average operation on the noisy energy-specific images with the nonlocal weight matrix between the target and prior images, in which the prior image is generated from all of the images reconstructed in each energy bin.  Results: Qualitative and quantitative studies are conducted to evaluate the aviNLM filter by using the data of digital phantom, physical phantom, and clinical patient data acquired from the energy-resolved and -integrated detectors, respectively. Experimental results show that the present aviNLM filter can achieve promising results for SCT image restoration in terms of noise-induced artifact suppression, cross profile, and contrast-to-noise ratio and material decomposition assessment. Conclusion and Significance: The present aviNLM algorithm has useful potential for radiation dose reduction by lowering the mAs in SCT imaging, and it may be useful for some other clinical applications, such as in myocardial perfusion imaging and radiotherapy.

Development of a frequency regulation duty-cycle for standardized energy storage performance testing

DOE PAGES

Rosewater, David; Ferreira, Summer

2016-05-25

The US DOE Protocol for uniformly measuring and expressing the performance of energy storage systems, first developed in 2012 through inclusive working group activities, provides standardized methodologies for evaluating an energy storage system’s ability to supply specific services to electrical grids. This article elaborates on the data and decisions behind the duty-cycle used for frequency regulation in this protocol. Analysis of a year of publicly available frequency regulation control signal data from a utility was considered in developing the representative signal for this use case. Moreover, this showed that signal standard deviation can be used as a metric for aggressivenessmore » or rigor. From these data, we select representative 2 h long signals that exhibit nearly all of dynamics of actual usage under two distinct regimens, one for average use and the other for highly aggressive use. Our results were combined into a 24-h duty-cycle comprised of average and aggressive segments. The benefits and drawbacks of the selected duty-cycle are discussed along with its potential implications to the energy storage industry.« less

A quantum chemistry study on surface reactivity of pristine and carbon-substituted AlN nanotubes

NASA Astrophysics Data System (ADS)

Mahdaviani, Amir; Esrafili, Mehdi D.; Esrafili, Ali; Behzadi, Hadi

2013-09-01

A density functional theory investigation was performed to predict the surface reactivity of pristine and carbon-substituted (6,0) single-walled aluminum nitride nanotubes (AlNNTs). The properties determined include the electrostatic potentials VS(r) and average local ionization energies ĪS(r) on the surfaces of the investigated tubes. According to computed VS(r) results, the Al/N atoms in edge or cap regions show a different reactivity pattern than those at the middle portion of the tubes. Due to the carbon-substitution at the either Al or N sites of the tubes, the negative regions associated with nitrogen atoms are stronger than before. The prediction of surface reactivity and regioselectivity using average local ionization energies has been verified by atomic hydrogen chemisorption energies calculated for AlNNTs at the B3LYP/6-31 G* level. There is an acceptable correlation between the minima of ĪS(r) and the atomic hydrogen chemisorption energies, demonstrating that ĪS(r) provides an effective means for rapidly and economically assessing the relative reactivities of finite sized AlNNTs.

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

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

Santarius, Tilman, E-mail: tilman@santarius.de

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

76 FR 26996 - Notice of Intent To Prepare an Environmental Impact Statement for New Corporate Average Fuel...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-05-10

...Pursuant to the National Environmental Policy Act (NEPA), NHTSA plans to prepare an Environmental Impact Statement (EIS) to analyze the potential environmental impacts of the agency's Corporate Average Fuel Economy program for passenger automobiles (referred to herein as ``passenger cars'') and non-passenger automobiles (referred to herein as ``light trucks''). The EIS will consider the potential environmental impacts of new fuel economy standards for model years 2017-2025 passenger cars and light trucks that NHTSA will be proposing pursuant to the Energy Independence and Security Act of 2007. This notice initiates the NEPA scoping process by inviting comments from Federal, State, and local agencies, Indian tribes, and the public to help identify the environmental issues and reasonable alternatives to be examined in the EIS. This notice also provides guidance for participating in the scoping process and additional information about the alternatives NHTSA expects to consider in its NEPA analysis. In preparing this notice, NHTSA has shared the document with the Council on Environmental Quality (CEQ), the Environmental Protection Agency (EPA), and the Department of Energy (DOE).

Theory of slightly fluctuating ratchets

NASA Astrophysics Data System (ADS)

Rozenbaum, V. M.; Shapochkina, I. V.; Lin, S. H.; Trakhtenberg, L. I.

2017-04-01

We consider a Brownian particle moving in a slightly fluctuating potential. Using the perturbation theory on small potential fluctuations, we derive a general analytical expression for the average particle velocity valid for both flashing and rocking ratchets with arbitrary, stochastic or deterministic, time dependence of potential energy fluctuations. The result is determined by the Green's function for diffusion in the time-independent part of the potential and by the features of correlations in the fluctuating part of the potential. The generality of the result allows describing complex ratchet systems with competing characteristic times; these systems are exemplified by the model of a Brownian photomotor with relaxation processes of finite duration.

Bioenergy Potential from Food Waste in California.

PubMed

Breunig, Hanna M; Jin, Ling; Robinson, Alastair; Scown, Corinne D

2017-02-07

Food waste makes up approximately 15% of municipal solid waste generated in the United States, and 95% of food waste is ultimately landfilled. Its bioavailable carbon and nutrient content makes it a major contributor to landfill methane emissions, but also presents an important opportunity for energy recovery. This paper presents the first detailed analysis of monthly food waste generation in California at a county level, and its potential contribution to the state's energy production. Scenarios that rely on excess capacity at existing anaerobic digester (AD) and solid biomass combustion facilities, and alternatives that allow for new facility construction, are developed and modeled. Potential monthly electricity generation from the conversion of gross food waste using a combination of AD and combustion varies from 420 to 700 MW, averaging 530 MW. At least 66% of gross high moisture solids and 23% of gross low moisture solids can be treated using existing county infrastructure, and this fraction increases to 99% of high moisture solids and 55% of low moisture solids if waste can be shipped anywhere within the state. Biogas flaring practices at AD facilities can reduce potential energy production by 10 to 40%.

Directly relating gas-phase cluster measurements to solution-phase hydrolysis, the absolute standard hydrogen electrode potential, and the absolute proton solvation energy.

PubMed

Donald, William A; Leib, Ryan D; O'Brien, Jeremy T; Williams, Evan R

2009-06-08

Solution-phase, half-cell potentials are measured relative to other half-cell potentials, resulting in a thermochemical ladder that is anchored to the standard hydrogen electrode (SHE), which is assigned an arbitrary value of 0 V. A new method for measuring the absolute SHE potential is demonstrated in which gaseous nanodrops containing divalent alkaline-earth or transition-metal ions are reduced by thermally generated electrons. Energies for the reactions 1) M(H(2)O)(24)(2+)(g) + e(-)(g)-->M(H(2)O)(24)(+)(g) and 2) M(H(2)O)(24)(2+)(g) + e(-)(g)-->MOH(H(2)O)(23)(+)(g) + H(g) and the hydrogen atom affinities of MOH(H(2)O)(23)(+)(g) are obtained from the number of water molecules lost through each pathway. From these measurements on clusters containing nine different metal ions and known thermochemical values that include solution hydrolysis energies, an average absolute SHE potential of +4.29 V vs. e(-)(g) (standard deviation of 0.02 V) and a real proton solvation free energy of -265 kcal mol(-1) are obtained. With this method, the absolute SHE potential can be obtained from a one-electron reduction of nanodrops containing divalent ions that are not observed to undergo one-electron reduction in aqueous solution.

Directly Relating Gas-Phase Cluster Measurements to Solution-Phase Hydrolysis, the Absolute Standard Hydrogen Electrode Potential, and the Absolute Proton Solvation Energy

PubMed Central

Donald, William A.; Leib, Ryan D.; O’Brien, Jeremy T.; Williams, Evan R.

2009-01-01

Solution-phase, half-cell potentials are measured relative to other half-cell potentials, resulting in a thermochemical ladder that is anchored to the standard hydrogen electrode (SHE), which is assigned an arbitrary value of 0 V. A new method for measuring the absolute SHE potential is demonstrated in which gaseous nanodrops containing divalent alkaline-earth or transition-metal ions are reduced by thermally generated electrons. Energies for the reactions 1) M-(H2O)242+(g)+e−(g)→M(H2O)24+(g) and 2) M(H2O)242+(g)+e−(g)→MOH(H2O)23+(g)+H(g) and the hydrogen atom affinities of MOH(H2O)23+(g) are obtained from the number of water molecules lost through each pathway. From these measurements on clusters containing nine different metal ions and known thermochemical values that include solution hydrolysis energies, an average absolute SHE potential of +4.29 V vs. e−(g) (standard deviation of 0.02 V) and a real proton solvation free energy of −265 kcal mol−1 are obtained. With this method, the absolute SHE potential can be obtained from a one-electron reduction of nanodrops containing divalent ions that are not observed to undergo one-electron reduction in aqueous solution. PMID:19440999

A general method for the derivation of the functional forms of the effective energy terms in coarse-grained energy functions of polymers. I. Backbone potentials of coarse-grained polypeptide chains

NASA Astrophysics Data System (ADS)

Sieradzan, Adam K.; Makowski, Mariusz; Augustynowicz, Antoni; Liwo, Adam

2017-03-01

A general and systematic method for the derivation of the functional expressions for the effective energy terms in coarse-grained force fields of polymer chains is proposed. The method is based on the expansion of the potential of mean force of the system studied in the cluster-cumulant series and expanding the all-atom energy in the Taylor series in the squares of interatomic distances about the squares of the distances between coarse-grained centers, to obtain approximate analytical expressions for the cluster cumulants. The primary degrees of freedom to average about are the angles for collective rotation of the atoms contained in the coarse-grained interaction sites about the respective virtual-bond axes. The approach has been applied to the revision of the virtual-bond-angle, virtual-bond-torsional, and backbone-local-and-electrostatic correlation potentials for the UNited RESidue (UNRES) model of polypeptide chains, demonstrating the strong dependence of the torsional and correlation potentials on virtual-bond angles, not considered in the current UNRES. The theoretical considerations are illustrated with the potentials calculated from the ab initio potential-energy surface of terminally blocked alanine by numerical integration and with the statistical potentials derived from known protein structures. The revised torsional potentials correctly indicate that virtual-bond angles close to 90° result in the preference for the turn and helical structures, while large virtual-bond angles result in the preference for polyproline II and extended backbone geometry. The revised correlation potentials correctly reproduce the preference for the formation of β-sheet structures for large values of virtual-bond angles and for the formation of α-helical structures for virtual-bond angles close to 90°.

Potential for energy generation from anaerobic digestion of food waste in Australia.

PubMed

Lou, Xian Fang; Nair, Jaya; Ho, Goen

2013-03-01

Published national and state reports have revealed that Australia deposits an average of 16 million Mg of solid waste into landfills yearly, of which approximately 12.6% is comprised of food. Being highly biodegradable and possessing high energy content, anaerobic digestion offers an attractive treatment option alternative to landfilling. The present study attempted to identify the theoretical maximum benefit of food waste digestion in Australia with regard to energy recovery and waste diversion from landfills. The study also assessed the scope for anaerobic process to utilize waste for energy projects through various case study scenarios. Results indicated anaerobic digestion of total food waste generated across multiple sites in Australia could generate 558 453 dam(3) of methane which translated to 20.3 PJ of heating potential or 1915 GWe in electricity generation annually. This would contribute to 3.5% of total current energy supply from renewable sources. Energy contribution from anaerobic digestion of food waste to the total energy requirement in Australia remains low, partially due to the high energy consumption of the country. However its appropriateness in low density regions, which are prevalent in Australia, may allow digesters to have a niche application in the country.

Equations of state and transport properties of mixtures in the warm dense regime

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

Hou, Yong; Dai, Jiayu; Kang, Dongdong

2015-02-15

We have performed average-atom molecular dynamics to simulate the CH and LiH mixtures in the warm dense regime, and obtained equations of state and the ionic transport properties. The electronic structures are calculated by using the modified average-atom model, which have included the broadening of energy levels, and the ion-ion pair potentials of mixtures are constructed based on the temperature-dependent density functional theory. The ionic transport properties, such as ionic diffusion and shear viscosity, are obtained through the ionic velocity correlation functions. The equations of state and transport properties for carbon, hydrogen and lithium, hydrogen mixtures in a wide regionmore » of density and temperature are calculated. Through our computing the average ionization degree, average ion-sphere diameter and transition properties in the mixture, it is shown that transport properties depend not only on the ionic mass but also on the average ionization degree.« less

Density functional study of double ionization energies

NASA Astrophysics Data System (ADS)

Chong, D. P.

2008-02-01

In this paper, double ionization energies (DIEs) of gas-phase atoms and molecules are calculated by energy difference method with density functional theory. To determine the best functional for double ionization energies, we first study 24 main group atoms in the second, third, and fourth periods. An approximation is used in which the electron density is first obtained from a density functional computation with the exchange-correlation potential Vxc known as statistical average of orbital potentials, after which the energy is computed from that density with 59 different exchange-correlation energy functionals Exc. For the 24 atoms, the two best Exc functional providing DIEs with average absolute deviation (AAD) of only 0.25eV are the Perdew-Burke-Ernzerhof functional modified by Hammer et al. [Phys. Rev. B 59, 6413 (1999)] and one known as the Krieger-Chen-Iafrate-Savin functional modified by Krieger et al. (unpublished). Surprisingly, none of the 20 available hybrid functionals is among the top 15 functionals for the DIEs of the 24 atoms. A similar procedure is then applied to molecules, with opposite results: Only hybrid functionals are among the top 15 functionals for a selection of 29molecules. The best Exc functional for the 29molecules is found to be the Becke 1997 functional modified by Wilson et al. [J. Chem. Phys. 115, 9233 (2001)]. With that functional, the AAD from experiment for DIEs of 29molecules is just under 0.5eV. If the two suspected values for C2H2 and Fe(CO)5 are excluded, the AAD improves to 0.32eV. Many other hybrid functionals perform almost as well.

Wind power in Jamaica

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

Chen, A.A.; Daniel, A.R.; Daniel, S.T.

1990-01-01

Parameters to evaluate the potential for using wind energy to generate electricity in Jamaica were obtained. These include the average wind power scaled to a height of 20 m at existing weather stations and temporary anemometer sites, the variation in annual and monthly wind power, and the frequency distribution of wind speed and wind energy available. Four small commercial turbines were assumed to be operating at some of the sites, and the estimated energy captured by them, the time they operated above their cut-in speed and their capacity factors were also determined. Diurnal variations of wind speed and prevailing windmore » directions are discussed and a map showing wind power at various sites was produced. Two stations with long-term averages, Manley and Morant Point, gave results which warranted further investigation. Results from some temporary stations are also encouraging. Mean wind speeds at two other sites in the Caribbean are given for comparison. A method for estimating the power exponent for scaling the wind speed from climatic data is described in Appendix 2.« less

Iceland as a demonstrator for a transition to low carbon economy?

NASA Astrophysics Data System (ADS)

Asbjornsson, Einar Jon; Stefansson, Hlynur; Finger, David Christian

2017-04-01

The energy supply in Iceland is quite unique, about 85% of the total primary energy is coming from renewable resources. Nevertheless, the ecological footprint of an average Icelander is with 6.5 worlds, one of the highest worldwide and the energy consumption per capita is about 7 times higher than the European average. Recent developments have shown that there is a great potential to reduce the footprint and develop towards low carbon economy. With its small population, well educated and governed society and clear system boundaries to the outside world, Iceland is a good research laboratory and an ideal demonstrator for a transition towards a low carbon economy. This presentation will outline how several innovative research projects at Reykjavik University could lead Iceland towards a sustainable and low carbon economy. The presentations will conclude with a visionary outlook how Iceland can become a demonstration nation towards a prosperous, low carbon and sustainable economy, helping stabilize global warming at an acceptable level.

Impact of management strategies on the global warming potential at the cropping system level.

PubMed

Goglio, Pietro; Grant, Brian B; Smith, Ward N; Desjardins, Raymond L; Worth, Devon E; Zentner, Robert; Malhi, Sukhdev S

2014-08-15

Estimating the greenhouse gas (GHG) emissions from agricultural systems is important in order to assess the impact of agriculture on climate change. In this study experimental data supplemented with results from a biophysical model (DNDC) were combined with life cycle assessment (LCA) to investigate the impact of management strategies on global warming potential of long-term cropping systems at two locations (Breton and Ellerslie) in Alberta, Canada. The aim was to estimate the difference in global warming potential (GWP) of cropping systems due to N fertilizer reduction and residue removal. Reducing the nitrogen fertilizer rate from 75 to 50 kg N ha(-1) decreased on average the emissions of N2O by 39%, NO by 59% and ammonia volatilisation by 57%. No clear trend for soil CO2 emissions was determined among cropping systems. When evaluated on a per hectare basis, cropping systems with residue removal required 6% more energy and had a little change in GWP. Conversely, when evaluated on the basis of gigajoules of harvestable biomass, residue removal resulted in 28% less energy requirement and 33% lower GWP. Reducing nitrogen fertilizer rate resulted in 18% less GWP on average for both functional units at Breton and 39% less GWP at Ellerslie. Nitrous oxide emissions contributed on average 67% to the overall GWP per ha. This study demonstrated that small changes in N fertilizer have a minimal impact on the productivity of the cropping systems but can still have a substantial environmental impact. Crown Copyright © 2014. Published by Elsevier B.V. All rights reserved.

An integrated assessment of the potential of agricultural and forestry residues for energy production in China

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

Gao, Ji; Zhang, Aiping; Lam, Shu Kee

Biomass has been widely recognized as an important energy source with high potential to reduce greenhouse gas emissions while minimizing environmental pollution. In this study, we employ the Global Change Assessment Model to estimate the potential of agricultural and forestry residue biomass for energy production in China. Potential availability of residue biomass as an energy source was analyzed for the 21st century under different climate policy scenarios. Currently, the amount of total annual residue biomass, averaged over 2003-2007, is around 15519PJ in China, consisting of 10818PJ from agriculture residues (70%) and 4701PJ forestry residues (30%). We estimate that 12693PJ ofmore » the total biomass is available for energy production, with 66% derived from agricultural residue and 34% from forestry residue. Most of the available residue is from south central China (3347PJ), east China (2862PJ) and south-west China (2229PJ), which combined exceeds 66% of the total national biomass. Under the reference scenario without carbon tax, the potential availability of residue biomass for energy production is projected to be 3380PJ by 2050 and 4108PJ by 2095, respectively. When carbon tax is imposed, biomass availability increases substantially. For the CCS 450ppm scenario, availability of biomass increases to 9002PJ (2050) and 11524PJ (2095), respectively. For the 450ppm scenario without CCS, 9183 (2050) and 11150PJ (2095) residue biomass, respectively, is projected to be available. Moreover, the implementation of CCS will have a little impact on the supply of residue biomass after 2035. Our results suggest that residue biomass has the potential to be an important component in China's sustainable energy production portfolio. As a low carbon emission energy source, climate change policies that involve carbon tariff and CCS technology promote the use of residue biomass for energy production in a low carbon-constrained world.« less

Drinking to our health: Can beverage companies cut calories while maintaining profits?

PubMed Central

Kleiman, Susan; Ng, Shu Wen; Popkin, Barry

2012-01-01

Carbonated soft drinks (CSD) and other beverages make up an increasing percentage of energy intake, and there are rising public health concerns about the links between consumption of sugar-sweetened beverages and weight gain, obesity, and other cardio-metabolic problems. In response, the food and beverage industry claims to be reformulating products, reducing package or portion sizes, and introducing healthier options. Comparative analysis on various changes and their potential effects on public health are needed. We conduct a case study using the two largest and most influential producers of sweetened beverages, The Coca-Cola Company and PepsiCo, who together control 34 percent of the global soft drink market, examining their product portfolios globally and in three critical markets (the US, Brazil, and China) from 2000-2010. On a global basis, total revenues and energy per capita sold increased, yet the average energy density (kilojoules per 100 milliliters) sold declined slightly, suggesting a shift to lower-calorie products. In the US, both total energy per capita and average energy density of beverages sold decreased, while the opposite was true in the developing markets of Brazil and China, with total per capita energy increasing greatly in China and, to a lesser extent, in Brazil. PMID:22070346

Assessing the Resolution Adaptability of the Zhang-McFarlane Cumulus Parameterization With Spatial and Temporal Averaging: RESOLUTION ADAPTABILITY OF ZM SCHEME

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

Yun, Yuxing; Fan, Jiwen; Xiao, Heng

Realistic modeling of cumulus convection at fine model resolutions (a few to a few tens of km) is problematic since it requires the cumulus scheme to adapt to higher resolution than they were originally designed for (~100 km). To solve this problem, we implement the spatial averaging method proposed in Xiao et al. (2015) and also propose a temporal averaging method for the large-scale convective available potential energy (CAPE) tendency in the Zhang-McFarlane (ZM) cumulus parameterization. The resolution adaptability of the original ZM scheme, the scheme with spatial averaging, and the scheme with both spatial and temporal averaging at 4-32more » km resolution is assessed using the Weather Research and Forecasting (WRF) model, by comparing with Cloud Resolving Model (CRM) results. We find that the original ZM scheme has very poor resolution adaptability, with sub-grid convective transport and precipitation increasing significantly as the resolution increases. The spatial averaging method improves the resolution adaptability of the ZM scheme and better conserves the total transport of moist static energy and total precipitation. With the temporal averaging method, the resolution adaptability of the scheme is further improved, with sub-grid convective precipitation becoming smaller than resolved precipitation for resolution higher than 8 km, which is consistent with the results from the CRM simulation. Both the spatial distribution and time series of precipitation are improved with the spatial and temporal averaging methods. The results may be helpful for developing resolution adaptability for other cumulus parameterizations that are based on quasi-equilibrium assumption.« less

The Conservation Nexus: Valuing Interdependent Water and Energy Savings in Phoenix, Arizona

NASA Astrophysics Data System (ADS)

Chester, M.; Bartos, M.

2013-12-01

Energy and water resources are intrinsically linked, yet they are managed separately--even in the water-scarce American southwest. This study develops a spatially-explicit model of water-energy interdependencies in Arizona, and assesses the potential for co-beneficial conservation programs. Arizona consumes 2.8% of its water demand for thermoelectric power and 8% of its electricity demand for water infrastructure--roughly twice the national average. The interdependent benefits of investments in 7 conservation strategies are assessed. Deployment of irrigation retrofits and new reclaimed water facilities dominate potential water savings, while residential and commercial HVAC improvements dominate energy savings. Water conservation policies have the potential to reduce statewide electricity demand by 1.0-2.9%, satisfying 5-14% of mandated energy-efficiency goals. Likewise, adoption of energy-efficiency measures and renewable generation portfolios can reduce non-agricultural water demand by 2.0-2.6%. These co-benefits of conservation investments are typically not included in conservation plans or benefit-cost analyses. Residential water conservation measures produce significant water and energy savings, but are generally not cost-effective at current water prices. An evaluation of the true cost of water in Arizona would allow future water and energy savings to be compared objectively, and would help policymakers allocate scarce resources to the highest-value conservation measures. Water Transfers between Water Cycle Components in Arizona in 2008 Cumulative embedded energy in water cycle components in Arizona in 2008

Energy Content of Arctic Forage Fish

NASA Astrophysics Data System (ADS)

Vollenweider, J.; Heintz, R.; Callahan, M.; Robertson, A.; Barton, M. B.; Sousa, L.; Mueter, F. J.; Mosher, S.; Moran, J.; Logerwell, E.; Boswell, K. M.; Sformo, T.; Farley, E.

2016-02-01

Global changes in climate conditions are most extreme in high latitudes and have the potential to restructure Arctic marine fish assemblages. Of concern is the ability for fish to adapt to changing habitats, the potential for range expansion from lower latitudes, and resultant introduction of competitors and/or predators. Bioenergetic models are useful tools to understand potential cascading trophic effects, and fish energy density is a key parameter in these models. We present energy density (kJ/g dry mass) values for 28 Arctic fish species collected in the Chukchi and Beaufort Seas between 2005 and 2014. Pacific herring (Clupea pallasii) was the most energy-rich species (25.0 kJ/g), followed by two species of primary importance to subsistence people, Arctic cisco (Coregonus autumnalis) and Bering cisco (Coregonus laurettae) (24.9 kJ/g and 23.5 kJ/g, respectively). The abundant and ecologically important Arctic cod (Boreogadus saida) was the most energy-rich gadid, averaging 22.7 kJ/g and having 6% more energy than walleye pollock (Theragra chalcogramma) (21.5 kJ/g) and 11% more energy than saffron cod (Eleginus gracilis) (20.5 kJ/g). In general, pelagic species such as juvenile Pacific salmon (Oncorhynchus sp) had the highest energy content, whereas benthic species such as sculpin (Cottidae), flatfish (Pleuronectidae), eelblennies (Stichaeidae) and eelpouts (Zoarcidae) were amongst the lowest. The high energy content of Arctic cod and their ubiquitous distribution in the water column makes them valuable prey for both demersal and pelagic predators.

The Hartree product and the description of local and global quantities in atomic systems: A study within Kohn-Sham theory

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

Garza, Jorge; Nichols, Jeffrey A.; Dixon, David A.

2000-01-15

The Hartree product is analyzed in the context of Kohn-Sham theory. The differential equations that emerge from this theory are solved with the optimized effective potential using the Krieger, Li, and Iafrate approximation, in order to get a local potential as required by the ordinary Kohn-Sham procedure. Because the diagonal terms of the exact exchange energy are included in Hartree theory, it is self-interaction free and the exchange potential has the proper asymptotic behavior. We have examined the impact of this correct asymptotic behavior on local and global properties using this simple model to approximate the exchange energy. Local quantities,more » such as the exchange potential and the average local electrostatic potential are used to examine whether the shell structure in an atom is revealed by this theory. Global quantities, such as the highest occupied orbital energy (related to the ionization potential) and the exchange energy are also calculated. These quantities are contrasted with those obtained from calculations with the local density approximation, the generalized gradient approximation, and the self-interaction correction approach proposed by Perdew and Zunger. We conclude that the main characteristics in an atomic system are preserved with the Hartree theory. In particular, the behavior of the exchange potential obtained in this theory is similar to those obtained within other Kohn-Sham approximations. (c) 2000 American Institute of Physics.« less

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

Jain, Richa Naja, E-mail: ltprichanaja@gmail.com; Chakraborty, Brahmananda; Ramaniah, Lavanya M.

The electronic structure and hydrogen storage capability of Yttrium-doped BNNTs has been theoretically investigated using first principles density functional theory (DFT). Yttrium atom prefers the hollow site in the center of the hexagonal ring with a binding energy of 0.8048eV. Decorating by Y makes the system half-metallic and magnetic with a magnetic moment of 1.0µ{sub B}. Y decorated Boron-Nitride (8,0) nanotube can adsorb up to five hydrogen molecules whose average binding energy is computed as 0.5044eV. All the hydrogen molecules are adsorbed with an average desorption temperature of 644.708 K. Taking that the Y atoms can be placed only in alternatemore » hexagons, the implied wt% comes out to be 5.31%, a relatively acceptable value for hydrogen storage materials. Thus, this system can serve as potential hydrogen storage medium.« less

On the application of accelerated molecular dynamics to liquid water simulations.

PubMed

de Oliveira, César Augusto F; Hamelberg, Donald; McCammon, J Andrew

2006-11-16

Our group recently proposed a robust bias potential function that can be used in an efficient all-atom accelerated molecular dynamics (MD) approach to simulate the transition of high energy barriers without any advance knowledge of the potential-energy landscape. The main idea is to modify the potential-energy surface by adding a bias, or boost, potential in regions close to the local minima, such that all transitions rates are increased. By applying the accelerated MD simulation method to liquid water, we observed that this new simulation technique accelerates the molecular motion without losing its microscopic structure and equilibrium properties. Our results showed that the application of a small boost energy on the potential-energy surface significantly reduces the statistical inefficiency of the simulation while keeping all the other calculated properties unchanged. On the other hand, although aggressive acceleration of the dynamics simulation increases the self-diffusion coefficient of water molecules greatly and dramatically reduces the correlation time of the simulation, configurations representative of the true structure of liquid water are poorly sampled. Our results also showed the strength and robustness of this simulation technique, which confirm this approach as a very useful and promising tool to extend the time scale of the all-atom simulations of biological system with explicit solvent models. However, we should keep in mind that there is a compromise between the strength of the boost applied in the simulation and the reproduction of the ensemble average properties.

Technical Note: Improved CT number stability across patient size using dual-energy CT virtual monoenergetic imaging

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

Michalak, Gregory; Grimes, Joshua; Fletcher, Joel

2016-01-15

Purpose: The purpose of this study was to evaluate, over a wide range of phantom sizes, CT number stability achieved using two techniques for generating dual-energy computed tomography (DECT) virtual monoenergetic images. Methods: Water phantoms ranging in lateral diameter from 15 to 50 cm and containing a CT number test object were scanned on a DSCT scanner using both single-energy (SE) and dual-energy (DE) techniques. The SE tube potentials were 70, 80, 90, 100, 110, 120, 130, 140, and 150 kV; the DE tube potential pairs were 80/140, 70/150Sn, 80/150Sn, 90/150Sn, and 100/150Sn kV (Sn denotes that the 150 kVmore » beam was filtered with a 0.6 mm tin filter). Virtual monoenergetic images at energies ranging from 40 to 140 keV were produced from the DECT data using two algorithms, monoenergetic (mono) and monoenergetic plus (mono+). Particularly in large phantoms, water CT number errors and/or artifacts were observed; thus, datasets with water CT numbers outside ±10 HU or with noticeable artifacts were excluded from the study. CT numbers were measured to determine CT number stability across all phantom sizes. Results: Data exclusions were generally limited to cases when a SE or DE technique with a tube potential of less than 90 kV was used to scan a phantom larger than 30 cm. The 90/150Sn DE technique provided the most accurate water background over the large range of phantom sizes evaluated. Mono and mono+ provided equally improved CT number stability as a function of phantom size compared to SE; the average deviation in CT number was only 1.4% using 40 keV and 1.8% using 70 keV, while SE had an average deviation of 11.8%. Conclusions: The authors’ report demonstrates, across all phantom sizes, the improvement in CT number stability achieved with mono and mono+ relative to SE.« less

Technical Note: Improved CT number stability across patient size using dual-energy CT virtual monoenergetic imaging.

PubMed

Michalak, Gregory; Grimes, Joshua; Fletcher, Joel; Halaweish, Ahmed; Yu, Lifeng; Leng, Shuai; McCollough, Cynthia

2016-01-01

The purpose of this study was to evaluate, over a wide range of phantom sizes, CT number stability achieved using two techniques for generating dual-energy computed tomography (DECT) virtual monoenergetic images. Water phantoms ranging in lateral diameter from 15 to 50 cm and containing a CT number test object were scanned on a DSCT scanner using both single-energy (SE) and dual-energy (DE) techniques. The SE tube potentials were 70, 80, 90, 100, 110, 120, 130, 140, and 150 kV; the DE tube potential pairs were 80/140, 70/150Sn, 80/150Sn, 90/150Sn, and 100/150Sn kV (Sn denotes that the 150 kV beam was filtered with a 0.6 mm tin filter). Virtual monoenergetic images at energies ranging from 40 to 140 keV were produced from the DECT data using two algorithms, monoenergetic (mono) and monoenergetic plus (mono+). Particularly in large phantoms, water CT number errors and/or artifacts were observed; thus, datasets with water CT numbers outside ±10 HU or with noticeable artifacts were excluded from the study. CT numbers were measured to determine CT number stability across all phantom sizes. Data exclusions were generally limited to cases when a SE or DE technique with a tube potential of less than 90 kV was used to scan a phantom larger than 30 cm. The 90/150Sn DE technique provided the most accurate water background over the large range of phantom sizes evaluated. Mono and mono+ provided equally improved CT number stability as a function of phantom size compared to SE; the average deviation in CT number was only 1.4% using 40 keV and 1.8% using 70 keV, while SE had an average deviation of 11.8%. The authors' report demonstrates, across all phantom sizes, the improvement in CT number stability achieved with mono and mono+ relative to SE.

Environmental assessment of energy production based on long term commercial willow plantations in Sweden.

PubMed

González-García, Sara; Mola-Yudego, Blas; Dimitriou, Ioannis; Aronsson, Pär; Murphy, Richard

2012-04-01

The present paper analyzed the environmental assessment of short rotation willow plantations in Sweden based on the standard framework of Life Cycle Assessment (LCA) from the International Standards Organisation. The analysis is focused on two alternative management regimes for willow plantations dedicated to biomass production for energy purposes. The data used included the averages of a large sample of commercial plantations. One of the scenarios is carried out under nitrogen based fertilized conditions and the other under non-fertilized management with total biomass yields (dry weight) of 140t/ha and 86t/ha over a 21 and 22-year life time respectively. The environmental profile was analyzed in terms of the potentials for abiotic depletion, acidification, eutrophication, global warming, ozone layer depletion, photochemical oxidant formation, human toxicity, fresh water aquatic ecotoxicity, marine aquatic ecotoxicity and terrestrial ecotoxicity. In addition, an energy analysis was performed using the cumulative energy demand method (CED). The application of nitrogen based fertilizers allows an increase in the biomass yield per ha of up to 40% although the contributions to almost all impact categories, particularly the eutrophication potential and toxicity potential impact categories are also considerably higher. Conversely, due to the higher biomass yields achieved with fertilization of these willow plantations, that regime presents a better overall environmental profile in terms of energy yield and global warming potential. Copyright © 2012 Elsevier B.V. All rights reserved.

RACER a Coarse-Grained RNA Model for Capturing Folding Free Energy in Molecular Dynamics Simulations

NASA Astrophysics Data System (ADS)

Cheng, Sara; Bell, David; Ren, Pengyu

RACER is a coarse-grained RNA model that can be used in molecular dynamics simulations to predict native structures and sequence-specific variation of free energy of various RNA structures. RACER is capable of accurate prediction of native structures of duplexes and hairpins (average RMSD of 4.15 angstroms), and RACER can capture sequence-specific variation of free energy in excellent agreement with experimentally measured stabilities (r-squared =0.98). The RACER model implements a new effective non-bonded potential and re-parameterization of hydrogen bond and Debye-Huckel potentials. Insights from the RACER model include the importance of treating pairing and stacking interactions separately in order to distinguish folded an unfolded states and identification of hydrogen-bonding, base stacking, and electrostatic interactions as essential driving forces for RNA folding. Future applications of the RACER model include predicting free energy landscapes of more complex RNA structures and use of RACER for multiscale simulations.

The origins of intra- and inter-molecular vibrational couplings: A case study of H{sub 2}O-Ar on full and reduced-dimensional potential energy surface

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

Hou, Dan; Ma, Yong-Tao; Zhang, Xiao-Long

2016-01-07

The origin and strength of intra- and inter-molecular vibrational coupling is difficult to probe by direct experimental observations. However, explicitly including or not including some specific intramolecular vibrational modes to study intermolecular interaction provides a precise theoretical way to examine the effects of anharmonic coupling between modes. In this work, a full-dimension intra- and inter-molecular ab initio potential energy surface (PES) for H{sub 2}O–Ar, which explicitly incorporates interdependence on the intramolecular (Q{sub 1},  Q{sub 2},  Q{sub 3}) normal-mode coordinates of the H{sub 2}O monomer, has been calculated. In addition, four analytic vibrational-quantum-state-specific PESs are obtained by least-squares fitting vibrationally averagedmore » interaction energies for the (v{sub 1},  v{sub 2},  v{sub 3}) =  (0,  0,  0), (0,  0,  1), (1,  0,  0), (0,  1,  0) states of H{sub 2}O to the three-dimensional Morse/long-range potential function. Each vibrationally averaged PES fitted to 442 points has root-mean-square (rms) deviation smaller than 0.15 cm{sup −1}, and required only 58 parameters. With the 3D PESs of H{sub 2}O–Ar dimer system, we employed the combined radial discrete variable representation/angular finite basis representation method and Lanczos algorithm to calculate rovibrational energy levels. This showed that the resulting vibrationally averaged PESs provide good representations of the experimental infrared data, with rms discrepancies smaller than 0.02 cm{sup −1} for all three rotational branches of the asymmetric stretch fundamental transitions. The infrared band origin shifts associated with three fundamental bands of H{sub 2}O in H{sub 2}O–Ar complex are predicted for the first time and are found to be in good agreement with the (extrapolated) experimental values. Upon introduction of additional intramolecular degrees of freedom into the intermolecular potential energy surface, there is clear spectroscopic evidence of intra- and intermolecular vibrational couplings.« less

Alcoa World Alumina: Plant-Wide Assessment at Arkansas Operations Reveals More than$900,000 in Potential Annual Savings

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

Not Available

2003-07-01

The plant-wide energy-efficiency assessment performed in 2001 at the Alcoa World Alumina Arkansas Operations in Bauxite, Arkansas, identified seven opportunities to save energy and reduce costs. By implementing five of these improvements, the facility can save 15,100 million British thermal units per year in natural gas and 8.76 million kilowatt-hours per year in electricity. This translates into approximate annual savings of$925,300 in direct energy costs and non-fuel operating and maintenance costs. The required capital investment is estimated at$271,200. The average payback period for all five projects would be approximately 8 months.

Alcoa World Alumina: Plant Wide Assessment at Arkansas Operation Reveals More than $900,000 in Potential Annual Savings

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

None

2003-07-01

The plant-wide energy-efficiency assessment performed in 2001 at the Alcoa World Alumina Arkansas Operations in Bauxite, Arkansas, identified seven opportunities to save energy and reduce costs. By implementing five of these improvements, the facility can save 15,100 million British thermal units per year in natural gas and 8.76 million kilowatt-hours per year in electricity. This translates into approximate annual savings of $925,300 in direct energy costs and non-fuel operating and maintenance costs. The required capital investment is estimated at $271,200. The average payback period for all five projects would be approximately 8 months.

Properties of solid and gaseous hydrogen, based upon anisotropic pair interactions

NASA Technical Reports Server (NTRS)

Etters, R. D.; Danilowicz, R.; England, W.

1975-01-01

Properties of H2 are studied on the basis of an analytic anisotropic potential deduced from atomic orbital and perturbation calculations. The low-pressure solid results are based on a spherical average of the anisotropic potential. The ground state energy and the pressure-volume relation are calculated. The metal-insulator phase transition pressure is predicted. Second virial coefficients are calculated for H2 and D2, as is the difference in second virial coefficients between ortho and para H2 and D2.

Highly accurate potential energy surface for the He-H2 dimer

NASA Astrophysics Data System (ADS)

Bakr, Brandon W.; Smith, Daniel G. A.; Patkowski, Konrad

2013-10-01

A new highly accurate interaction potential is constructed for the He-H2 van der Waals complex. This potential is fitted to 1900 ab initio energies computed at the very large-basis coupled-cluster level and augmented by corrections for higher-order excitations (up to full configuration interaction level) and the diagonal Born-Oppenheimer correction. At the vibrationally averaged H-H bond length of 1.448736 bohrs, the well depth of our potential, 15.870 ± 0.065 K, is nearly 1 K larger than the most accurate previous studies have indicated. In addition to constructing our own three-dimensional potential in the van der Waals region, we present a reparameterization of the Boothroyd-Martin-Peterson potential surface [A. I. Boothroyd, P. G. Martin, and M. R. Peterson, J. Chem. Phys. 119, 3187 (2003)] that is suitable for all configurations of the triatomic system. Finally, we use the newly developed potentials to compute the properties of the lone bound states of 4He-H2 and 3He-H2 and the interaction second virial coefficient of the hydrogen-helium mixture.

Potential of Solar Energy in Kota Kinabalu, Sabah: An Estimate Using a Photovoltaic System Model

NASA Astrophysics Data System (ADS)

Markos, F. M.; Sentian, J.

2016-04-01

Solar energy is becoming popular as an alternative renewable energy to conventional energy source, particularly in the tropics, where duration and intensity of solar radiation are longer. This study is to assess the potential of solar energy generated from solar for Kota Kinabalu, a rapidly developing city in the State of Sabah, Malaysia. A year data of solar radiation was obtained using pyranometer, which was located at Universiti Malaysia Sabah (6.0367° N, 116.1186° E). It was concluded that the annual average solar radiation received in Kota Kinabalu was 182 W/m2. In estimating the potential energy generated from solar for Kota Kinabalu city area, a photovoltaic (PV) system model was used. The results showed that, Kota Kinabalu is estimated to produce 29,794 kWh/m2 of electricity from the solar radiation received in a year. This is equivalent to 0.014 MW of electricity produced just by using one solar panel. Considering the power demand in Sabah by 2020 is 1,331 MW, this model showed that the solar energy can contribute around 4% of energy for power demand, with 1 MW capacity of the PV system. 1 MW of PV system installation will require about 0.0328% from total area of the city. This assessment could suggest that, exploration for solar power energy as an alternative source of renewable energy in the city can be optimised and designed to attain significant higher percentage of contribution to the energy demand in the state.

Solar energy in the context of energy use, energy transportation and energy storage.

PubMed

MacKay, David J C

2013-08-13

Taking the UK as a case study, this paper describes current energy use and a range of sustainable energy options for the future, including solar power and other renewables. I focus on the area involved in collecting, converting and delivering sustainable energy, looking in particular detail at the potential role of solar power. Britain consumes energy at a rate of about 5000 watts per person, and its population density is about 250 people per square kilometre. If we multiply the per capita energy consumption by the population density, then we obtain the average primary energy consumption per unit area, which for the UK is 1.25 watts per square metre. This areal power density is uncomfortably similar to the average power density that could be supplied by many renewables: the gravitational potential energy of rainfall in the Scottish highlands has a raw power per unit area of roughly 0.24 watts per square metre; energy crops in Europe deliver about 0.5 watts per square metre; wind farms deliver roughly 2.5 watts per square metre; solar photovoltaic farms in Bavaria, Germany, and Vermont, USA, deliver 4 watts per square metre; in sunnier locations, solar photovoltaic farms can deliver 10 watts per square metre; concentrating solar power stations in deserts might deliver 20 watts per square metre. In a decarbonized world that is renewable-powered, the land area required to maintain today's British energy consumption would have to be similar to the area of Britain. Several other high-density, high-consuming countries are in the same boat as Britain, and many other countries are rushing to join us. Decarbonizing such countries will only be possible through some combination of the following options: the embracing of country-sized renewable power-generation facilities; large-scale energy imports from country-sized renewable facilities in other countries; population reduction; radical efficiency improvements and lifestyle changes; and the growth of non-renewable low-carbon sources, namely 'clean' coal, 'clean' gas and nuclear power. If solar is to play a large role in the future energy system, then we need new methods for energy storage; very-large-scale solar either would need to be combined with electricity stores or it would need to serve a large flexible demand for energy that effectively stores useful energy in the form of chemicals, heat, or cold.

Energy transduction and signal averaging of fluctuating electric fields by a single protein ion channel.

PubMed

Verdia-Baguena, C; Gomez, V; Cervera, J; Ramirez, P; Mafe, S

2016-12-21

We demonstrate the electrical rectification and signal averaging of fluctuating signals using a biological nanostructure in aqueous solution: a single protein ion channel inserted in the lipid bilayer characteristic of cell membranes. The conversion of oscillating, zero time-average potentials into directional currents permits charging of a load capacitor to significant steady-state voltages within a few minutes in the case of the outer membrane porin F (OmpF) protein, a bacterial channel of Escherichia coli. The experiments and simulations show signal averaging effects at a more fundamental level than the traditional cell and tissue scales, which are characterized by ensembles of many ion channels operating simultaneously. The results also suggest signal transduction schemes with bio-electronic interfaces and ionic circuits where soft matter nanodiodes can be coupled to conventional electronic elements.

Domestic refrigeration appliances in Poland: Potential for improving energy efficiency

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

Meyers, S.; Schipper, L.; Lebot, B.

1993-08-01

This report is based on information collected from the main Polish manufacturer of refrigeration appliances. We describe their production facilities, and show that the energy consumption of their models for domestic sale is substantially higher than the average for similar models made in W. Europe. Lack of data and uncertainty about future production costs in Poland limits our evaluation of the cost-effective potential to increase energy efficiency, but it appears likely that considerable improvement would be economic from a societal perspective. Many design options are likely to have a simple payback of less than five years. We found that themore » production facilities are in need of substantial modernization in order to produce higher quality and more efficient appliances. We discuss policy options that could help to build a market for more efficient appliances in Poland and thereby encourage investment to produce such equipment.« less

Neutron Compton scattering from selectively deuterated acetanilide

NASA Astrophysics Data System (ADS)

Wanderlingh, U. N.; Fielding, A. L.; Middendorf, H. D.

With the aim of developing the application of neutron Compton scattering (NCS) to molecular systems of biophysical interest, we are using the Compton spectrometer EVS at ISIS to characterize the momentum distribution of protons in peptide groups. In this contribution we present NCS measurements of the recoil peak (Compton profile) due to the amide proton in otherwise fully deuterated acetanilide (ACN), a widely studied model system for H-bonding and energy transfer in biomolecules. We obtain values for the average width of the potential well of the amide proton and its mean kinetic energy. Deviations from the Gaussian form of the Compton profile, analyzed on the basis of an expansion due to Sears, provide data relating to the Laplacian of the proton potential.

Evidence of conformational exchange averaging in the thermal rotational spectrum of ethyl cyanoformate.

PubMed

True, Nancy S

2006-06-15

The Stark modulated low resolution microwave spectrum of ethyl cyanoformate between 21.5 and 24.0 GHz at 210, 300, and 358 K, which shows the J + 1 <-- J = 8 <-- 7 bands of three species, is compared to simulations based on electronic structure calculations at the MP2/6-311++G theory level. Calculations at this theory level reproduce the relative energies of the syn-anti and syn-gauche conformers, obtained in a previous study, and indicate that the barrier to conformer exchange is approximately 360 cm(-1) higher in energy than the syn-anti minimum. Simulated spectra of the eigenstates of the calculated O-ethyl torsional potential function reproduce the relative intensities and shapes of the lower and higher frequency bands which correspond to transitions of the syn-anti and syn-gauche conformers, respectively, but fail to reproduce the intense center band in the experimental spectra. A model incorporating exchange averaging reproduces the intensity of the center band and its temperature dependence. These simulations indicate that a large fraction of the thermal population at all three temperatures undergoes conformational exchange with an average energy specific rate constant, , of approximately 25 GHz. This model can explain anomalies present in rotational spectra of many other compounds composed of mixtures of conformers.

Optimal migration energetics of humpback whales and the implications of disturbance.

PubMed

Braithwaite, Janelle E; Meeuwig, Jessica J; Hipsey, Matthew R

2015-01-01

Whales migrate long distances and reproduce on a finite store of energy. Budgeting the use of this limited energy reserve is an important factor to ensure survival over the period of migration and to maximize reproductive investment. For some whales, migration routes are closely associated with coastal areas, exposing animals to high levels of human activity. It is currently unclear how various forms of human activity may disturb whales during migration, how this might impact their energy balance and how this could translate into long-term demographic changes. Here, we develop a theoretical bioenergetic model for migrating humpback whales to investigate the optimal migration strategy that minimizes energy use. The average migration velocity was an important driver of the total energy used by a whale, and an optimal velocity of 1.1 m s(-1) was determined. This optimal velocity is comparable to documented observed migration speeds, suggesting that whales migrate at a speed that conserves energy. Furthermore, the amount of resting time during migration was influenced by both transport costs and feeding rates. We simulated hypothetical disturbances to the optimal migration strategy in two ways, by altering average velocity to represent changes in behavioural activity and by increasing total travelled distance to represent displacement along the migration route. In both cases, disturbance increased overall energy use, with implications for the growth potential of calves.

Optimal migration energetics of humpback whales and the implications of disturbance

PubMed Central

Braithwaite, Janelle E.; Meeuwig, Jessica J.; Hipsey, Matthew R.

2015-01-01

Whales migrate long distances and reproduce on a finite store of energy. Budgeting the use of this limited energy reserve is an important factor to ensure survival over the period of migration and to maximize reproductive investment. For some whales, migration routes are closely associated with coastal areas, exposing animals to high levels of human activity. It is currently unclear how various forms of human activity may disturb whales during migration, how this might impact their energy balance and how this could translate into long-term demographic changes. Here, we develop a theoretical bioenergetic model for migrating humpback whales to investigate the optimal migration strategy that minimizes energy use. The average migration velocity was an important driver of the total energy used by a whale, and an optimal velocity of 1.1 m s−1 was determined. This optimal velocity is comparable to documented observed migration speeds, suggesting that whales migrate at a speed that conserves energy. Furthermore, the amount of resting time during migration was influenced by both transport costs and feeding rates. We simulated hypothetical disturbances to the optimal migration strategy in two ways, by altering average velocity to represent changes in behavioural activity and by increasing total travelled distance to represent displacement along the migration route. In both cases, disturbance increased overall energy use, with implications for the growth potential of calves. PMID:27293686

Quantum dynamics of the intramolecular vibrational energy redistribution in OCS: From localization to quasi-thermalization

NASA Astrophysics Data System (ADS)

Pérez, J. B.; Arce, J. C.

2018-06-01

We report a fully quantum-dynamical study of the intramolecular vibrational energy redistribution (IVR) in the electronic ground state of carbonyl sulfide, which is a prototype of an isolated many-body quantum system with strong internal couplings and non-Rice-Ramsperger-Kassel-Marcus (RRKM) behavior. We pay particular attention to the role of many-body localization and the approach to thermalization, which currently are topics of considerable interest, as they pertain to the very foundations of statistical mechanics and thermodynamics. We employ local-mode (valence) coordinates and consider initial excitations localized in one local mode, with energies ranging from low to near the dissociation threshold, where the classical dynamics have been shown to be chaotic. We propagate the nuclear wavepacket on the potential energy surface by means of the numerically exact multiconfiguration time-dependent Hartree method and employ mean local energies, time-dependent and time-averaged populations in quantum number space, energy distributions, entanglement entropies, local population distributions, microcanonical averages, and dissociation probabilities, as diagnostic tools. This allows us to identify a continuous localization → delocalization transition in the energy flow, associated with the onset of quantum chaos, as the excitation energy increases up to near the dissociation threshold. Moreover, we find that at this energy and ˜1 ps the molecule nearly thermalizes. Furthermore, we observe that IVR is so slow that the molecule begins to dissociate well before such quasi-thermalization is complete, in accordance with earlier classical-mechanical predictions of non-RRKM behavior.

Quantum dynamics of the intramolecular vibrational energy redistribution in OCS: From localization to quasi-thermalization.

PubMed

Pérez, J B; Arce, J C

2018-06-07

We report a fully quantum-dynamical study of the intramolecular vibrational energy redistribution (IVR) in the electronic ground state of carbonyl sulfide, which is a prototype of an isolated many-body quantum system with strong internal couplings and non-Rice-Ramsperger-Kassel-Marcus (RRKM) behavior. We pay particular attention to the role of many-body localization and the approach to thermalization, which currently are topics of considerable interest, as they pertain to the very foundations of statistical mechanics and thermodynamics. We employ local-mode (valence) coordinates and consider initial excitations localized in one local mode, with energies ranging from low to near the dissociation threshold, where the classical dynamics have been shown to be chaotic. We propagate the nuclear wavepacket on the potential energy surface by means of the numerically exact multiconfiguration time-dependent Hartree method and employ mean local energies, time-dependent and time-averaged populations in quantum number space, energy distributions, entanglement entropies, local population distributions, microcanonical averages, and dissociation probabilities, as diagnostic tools. This allows us to identify a continuous localization → delocalization transition in the energy flow, associated with the onset of quantum chaos, as the excitation energy increases up to near the dissociation threshold. Moreover, we find that at this energy and ∼1 ps the molecule nearly thermalizes. Furthermore, we observe that IVR is so slow that the molecule begins to dissociate well before such quasi-thermalization is complete, in accordance with earlier classical-mechanical predictions of non-RRKM behavior.

Unusual energy properties of leaky backward Lamb waves in a submerged plate.

PubMed

Nedospasov, I A; Mozhaev, V G; Kuznetsova, I E

2017-05-01

It is found that leaky backward Lamb waves, i.e. waves with negative energy-flux velocity, propagating in a plate submerged in a liquid possess extraordinary energy properties distinguishing them from any other type of waves in isotropic media. Namely, the total time-averaged energy flux along the waveguide axis is equal to zero for these waves due to opposite directions of the longitudinal energy fluxes in the adjacent media. This property gives rise to the fundamental question of how to define and calculate correctly the energy velocity in such an unusual case. The procedure of calculation based on incomplete integration of the energy flux density over the plate thickness alone is applied. The derivative of the angular frequency with respect to the wave vector, usually referred to as the group velocity, happens to be close to the energy velocity defined by this mean in that part of the frequency range where the backward mode exists in the free plate. The existence region of the backward mode is formally increased for the submerged plate in comparison to the free plate as a result of the liquid-induced hybridization of propagating and nonpropagating (evanescent) Lamb modes. It is shown that the Rayleigh's principle (i.e. equipartition of total time-averaged kinetic and potential energies for time-harmonic acoustic fields) is violated due to the leakage of Lamb waves, in spite of considering nondissipative media. Copyright © 2017 Elsevier B.V. All rights reserved.

Accuracy of free energies of hydration using CM1 and CM3 atomic charges.

PubMed

Udier-Blagović, Marina; Morales De Tirado, Patricia; Pearlman, Shoshannah A; Jorgensen, William L

2004-08-01

Absolute free energies of hydration (DeltaGhyd) have been computed for 25 diverse organic molecules using partial atomic charges derived from AM1 and PM3 wave functions via the CM1 and CM3 procedures of Cramer, Truhlar, and coworkers. Comparisons are made with results using charges fit to the electrostatic potential surface (EPS) from ab initio 6-31G* wave functions and from the OPLS-AA force field. OPLS Lennard-Jones parameters for the organic molecules were used together with the TIP4P water model in Monte Carlo simulations with free energy perturbation theory. Absolute free energies of hydration were computed for OPLS united-atom and all-atom methane by annihilating the solutes in water and in the gas phase, and absolute DeltaGhyd values for all other molecules were computed via transformation to one of these references. Optimal charge scaling factors were determined by minimizing the unsigned average error between experimental and calculated hydration free energies. The PM3-based charge models do not lead to lower average errors than obtained with the EPS charges for the subset of 13 molecules in the original study. However, improvement is obtained by scaling the CM1A partial charges by 1.14 and the CM3A charges by 1.15, which leads to average errors of 1.0 and 1.1 kcal/mol for the full set of 25 molecules. The scaled CM1A charges also yield the best results for the hydration of amides including the E/Z free-energy difference for N-methylacetamide in water. Copyright 2004 Wiley Periodicals, Inc.

Parallel theoretical study of the two components of the prompt fission neutrons: Dynamically released at scission and evaporated from fully accelerated fragments

NASA Astrophysics Data System (ADS)

Carjan, Nicolae; Rizea, Margarit; Talou, Patrick

2017-09-01

Prompt fission neutrons (PFN) angular and energy distributions for the reaction 235U(nth,f) are calculated as a function of the mass asymmetry of the fission fragments using two extreme assumptions: 1) PFN are released during the neck rupture due to the diabatic coupling between the neutron degree of freedom and the rapidly changing neutron-nucleus potential. These unbound neutrons are faster than the separation of the nascent fragments and most of them leave the fissioning system in few 10-21 sec. i.e., at the begining of the acceleration phase. Surrounding the fissioning nucleus by a sphere one can calculate the radial component of the neutron current density. Its time integral gives the angular distribution with respect to the fission axis. The average energy of each emitted neutron is also calculated using the unbound part of each neutron wave packet. The distribution of these average energies gives the general trends of the PFN spectrum: the slope, the range and the average value. 2) PFN are evaporated from fully accelerated, fully equilibrated fission fragments. To follow the de-excitation of these fragments via neutron and γ-ray sequential emissions, a Monte Carlo sampling of the initial conditions and a Hauser-Feshbach statistical approach is used. Recording at each step the emission probability, the energy and the angle of each evaporated neutron one can construct the PFN energy and the PFN angular distribution in the laboratory system. The predictions of these two methods are finally compared with recent experimental results obtained for a given fragment mass ratio.

Thermodynamic responses of electronic systems.

PubMed

Franco-Pérez, Marco; Ayers, Paul W; Gázquez, José L; Vela, Alberto

2017-09-07

We present how the framework of the temperature-dependent chemical reactivity theory can describe the panorama of different types of interactions between an electronic system and external reagents. The key reactivity indicators are responses of an appropriate state function (like the energy or grand potential) to the variables that determine the state of the system (like the number of electrons/chemical potential, external potential, and temperature). We also consider the response of the average electron density to appropriate perturbations. We present computable formulas for these reactivity indicators and discuss their chemical utility for describing electronic, electrostatic, and thermal changes associated with chemical processes.

Thermodynamic responses of electronic systems

NASA Astrophysics Data System (ADS)

Franco-Pérez, Marco; Ayers, Paul W.; Gázquez, José L.; Vela, Alberto

2017-09-01

We present how the framework of the temperature-dependent chemical reactivity theory can describe the panorama of different types of interactions between an electronic system and external reagents. The key reactivity indicators are responses of an appropriate state function (like the energy or grand potential) to the variables that determine the state of the system (like the number of electrons/chemical potential, external potential, and temperature). We also consider the response of the average electron density to appropriate perturbations. We present computable formulas for these reactivity indicators and discuss their chemical utility for describing electronic, electrostatic, and thermal changes associated with chemical processes.

Evapotranspiration and microclimate at a low-level radioactive-waste disposal site in northwestern Illinois

USGS Publications Warehouse

Healy, R.W.; DeVries, M.P.; Sturrock, A.M.

1987-01-01

From July 1982 through June 1984, a study was made of the microclimate and evapotranspiration at a low-level radioactive-waste disposal site near Sheffield, Bureau County, Illinois. Vegetation at the site consists of mixed pasture grasses, primarily brome (Bromus inermis) and red clover (Trifoleum pratense). Three methods were used to estimate evapotranspiration: (1) an energy-budget with the Bowen ratio, (2) an aerodynamic-profile, and (3) a soil-based water-budget. For the aerodynamic-profile method, sensible-heat flux was estimated by a profile equation and evapotranspiration was then calculated as the residual in the energy-balance equation. Estimates by the energy-budget and aerodynamic-profile methods were computed from hourly data, then summed by days and months. Yearly estimates for March through November, by these methods, were quite close--648 and 626 millimeters, respectively. Daily estimates range up to a maximum of about 6 millimeters. The water-budget method produced only monthly estimates based on weekly or biweekly soil-moisture content measurements. The yearly evapotranspiration estimated by this method (which actually included only the months of April through October) was 655 millimeters. The March-through-November average for the three methods of 657 millimeters was equivalent to 70 percent of precipitation. Continuous measurements were made of incoming and reflected shortwave radiation, incoming and emitted longwave radiation, net radiation, soil-heat flux, soil temperature, horizontal windspeed, and wet- and dry-bulb air temperature. Windspeed and air temperature were measured at heights of 0.5 and 2.0 meters (and also at 1.0 meter after September 1983). Soil-moisture content of the soil zone was measured with a gamma-attenuation gage. Annual precipitation (938 millimeters) and average temperature (10.8 degrees Celsius) were virtually identical to long-term averages from nearby National Weather Service stations. Solar radiation averaged 65 percent of that normally expected under clear skies. Net radiation averaged 70.1 watts per square meter and was highest in July and negative during some winter months. Wind direction varied but was predominately out of the south-southeast. Wind speed at the 2-meter height averaged 3.5 meters per second and was slightly higher in winter months than the rest of the year. The amount of water stored within the soil zone was greatest in early spring and least in late summer. Seasonal and diurnal trends in evapotranspiration rates mirrored those in net radiation; July was usually the month with the highest rate. The ratio of sensible- to latent-heat fluxes (commonly called the Bowen ratio) for the 2-year period was 0.38, as averaged from the three methods. Monthly Bowen ratios fluctuated somewhat but averaged about 0.35 for late spring through summer. In fall, the ratio declined to zero or to slightly negative values. When the ratio was negative, the latent-heat flux was slightly greater than the net radiation because of additional energy supplied by the cooling soil and air. Evapotranspiration calculated by the three methods averaged 75 percent of potential evapotranspiration, as estimated by the Penman equation. There was no apparent seasonal trend in the relation between actual and potential evapotranspiration rates.

Dynamic dual-energy chest radiography: a potential tool for lung tissue motion monitoring and kinetic study

PubMed Central

Xu, Tong; Ducote, Justin L.; Wong, Jerry T.; Molloi, Sabee

2011-01-01

Dual-energy chest radiography has the potential to provide better diagnosis of lung disease by removing the bone signal from the image. Dynamic dual-energy radiography is now possible with the introduction of digital flat panel detectors. The purpose of this study is to evaluate the feasibility of using dynamic dual-energy chest radiography for functional lung imaging and tumor motion assessment. The dual energy system used in this study can acquire up to 15 frame of dual-energy images per second. A swine animal model was mechanically ventilated and imaged using the dual-energy system. Sequences of soft-tissue images were obtained using dual-energy subtraction. Time subtracted soft-tissue images were shown to be able to provide information on regional ventilation. Motion tracking of a lung anatomic feature (a branch of pulmonary artery) was performed based on an image cross-correlation algorithm. The tracking precision was found to be better than 1 mm. An adaptive correlation model was established between the above tracked motion and an external surrogate signal (temperature within the tracheal tube). This model is used to predict lung feature motion using the continuous surrogate signal and low frame rate dual-energy images (0.1 to 3.0 frames /sec). The average RMS error of the prediction was (1.1 ± 0.3) mm. The dynamic dual-energy was shown to be potentially useful for lung functional imaging such as regional ventilation and kinetic studies. It can also be used for lung tumor motion assessment and prediction during radiation therapy. PMID:21285477

Dynamic dual-energy chest radiography: a potential tool for lung tissue motion monitoring and kinetic study.

PubMed

Xu, Tong; Ducote, Justin L; Wong, Jerry T; Molloi, Sabee

2011-02-21

Dual-energy chest radiography has the potential to provide better diagnosis of lung disease by removing the bone signal from the image. Dynamic dual-energy radiography is now possible with the introduction of digital flat-panel detectors. The purpose of this study is to evaluate the feasibility of using dynamic dual-energy chest radiography for functional lung imaging and tumor motion assessment. The dual-energy system used in this study can acquire up to 15 frames of dual-energy images per second. A swine animal model was mechanically ventilated and imaged using the dual-energy system. Sequences of soft-tissue images were obtained using dual-energy subtraction. Time subtracted soft-tissue images were shown to be able to provide information on regional ventilation. Motion tracking of a lung anatomic feature (a branch of pulmonary artery) was performed based on an image cross-correlation algorithm. The tracking precision was found to be better than 1 mm. An adaptive correlation model was established between the above tracked motion and an external surrogate signal (temperature within the tracheal tube). This model is used to predict lung feature motion using the continuous surrogate signal and low frame rate dual-energy images (0.1-3.0 frames per second). The average RMS error of the prediction was (1.1 ± 0.3) mm. The dynamic dual energy was shown to be potentially useful for lung functional imaging such as regional ventilation and kinetic studies. It can also be used for lung tumor motion assessment and prediction during radiation therapy.

Low-energy plasma focus device as an electron beam source.

PubMed

Khan, Muhammad Zubair; Ling, Yap Seong; Yaqoob, Ibrar; Kumar, Nitturi Naresh; Kuang, Lim Lian; San, Wong Chiow

2014-01-01

A low-energy plasma focus device was used as an electron beam source. A technique was developed to simultaneously measure the electron beam intensity and energy. The system was operated in Argon filling at an optimum pressure of 1.7 mbar. A Faraday cup was used together with an array of filtered PIN diodes. The beam-target X-rays were registered through X-ray spectrometry. Copper and lead line radiations were registered upon usage as targets. The maximum electron beam charge and density were estimated to be 0.31 μC and 13.5 × 10(16)/m(3), respectively. The average energy of the electron beam was 500 keV. The high flux of the electron beam can be potentially applicable in material sciences.

Distinct position-specific sequence features of hexa-peptides that form amyloid-fibrils: application to discriminate between amyloid fibril and amorphous β-aggregate forming peptide sequences

PubMed Central

2013-01-01

Background Comparison of short peptides which form amyloid-fibrils with their homologues that may form amorphous β-aggregates but not fibrils, can aid development of novel amyloid-containing nanomaterials with well defined morphologies and characteristics. The knowledge gained from the comparative analysis could also be applied towards identifying potential aggregation prone regions in proteins, which are important for biotechnology applications or have been implicated in neurodegenerative diseases. In this work we have systematically analyzed a set of 139 amyloid-fibril hexa-peptides along with a highly homologous set of 168 hexa-peptides that do not form amyloid fibrils for their position-wise as well as overall amino acid compositions and averages of 49 selected amino acid properties. Results Amyloid-fibril forming peptides show distinct preferences and avoidances for amino acid residues to occur at each of the six positions. As expected, the amyloid fibril peptides are also more hydrophobic than non-amyloid peptides. We have used the results of this analysis to develop statistical potential energy values for the 20 amino acid residues to occur at each of the six different positions in the hexa-peptides. The distribution of the potential energy values in 139 amyloid and 168 non-amyloid fibrils are distinct and the amyloid-fibril peptides tend to be more stable (lower total potential energy values) than non-amyloid peptides. The average frequency of occurrence of these peptides with lower than specific cutoff energies at different positions is 72% and 50%, respectively. The potential energy values were used to devise a statistical discriminator to distinguish between amyloid-fibril and non-amyloid peptides. Our method could identify the amyloid-fibril forming hexa-peptides to an accuracy of 89%. On the other hand, the accuracy of identifying non-amyloid peptides was only 54%. Further attempts were made to improve the prediction accuracy via machine learning. This resulted in an overall accuracy of 82.7% with the sensitivity and specificity of 81.3% and 83.9%, respectively, in 10-fold cross-validation method. Conclusions Amyloid-fibril forming hexa-peptides show position specific sequence features that are different from those which may form amorphous β-aggregates. These positional preferences are found to be important features for discriminating amyloid-fibril forming peptides from their homologues that don't form amyloid-fibrils. PMID:23815227

Study of Li atom diffusion in amorphous Li3PO4 with neural network potential

NASA Astrophysics Data System (ADS)

Li, Wenwen; Ando, Yasunobu; Minamitani, Emi; Watanabe, Satoshi

2017-12-01

To clarify atomic diffusion in amorphous materials, which is important in novel information and energy devices, theoretical methods having both reliability and computational speed are eagerly anticipated. In the present study, we applied neural network (NN) potentials, a recently developed machine learning technique, to the study of atom diffusion in amorphous materials, using Li3PO4 as a benchmark material. The NN potential was used together with the nudged elastic band, kinetic Monte Carlo, and molecular dynamics methods to characterize Li vacancy diffusion behavior in the amorphous Li3PO4 model. By comparing these results with corresponding DFT calculations, we found that the average error of the NN potential is 0.048 eV in calculating energy barriers of diffusion paths, and 0.041 eV in diffusion activation energy. Moreover, the diffusion coefficients obtained from molecular dynamics are always consistent with those from ab initio molecular dynamics simulation, while the computation speed of the NN potential is 3-4 orders of magnitude faster than DFT. Lastly, the structure of amorphous Li3PO4 and the ion transport properties in it were studied with the NN potential using a large supercell model containing more than 1000 atoms. The formation of P2O7 units was observed, which is consistent with the experimental characterization. The Li diffusion activation energy was estimated to be 0.55 eV, which agrees well with the experimental measurements.

Isentropic Analysis of Convective Motions

NASA Technical Reports Server (NTRS)

Pauluis, Olivier M.; Mrowiec, Agnieszka A.

2013-01-01

This paper analyzes the convective mass transport by sorting air parcels in terms of their equivalent potential temperature to determine an isentropic streamfunction. By averaging the vertical mass flux at a constant value of the equivalent potential temperature, one can compute an isentropic mass transport that filters out reversible oscillatory motions such as gravity waves. This novel approach emphasizes the fact that the vertical energy and entropy transports by convection are due to the combination of ascending air parcels with high energy and entropy and subsiding air parcels with lower energy and entropy. Such conditional averaging can be extended to other dynamic and thermodynamic variables such as vertical velocity, temperature, or relative humidity to obtain a comprehensive description of convective motions. It is also shown how this approach can be used to determine the mean diabatic tendencies from the three-dimensional dynamic and thermodynamic fields. A two-stream approximation that partitions the isentropic circulation into a mean updraft and a mean downdraft is also introduced. This offers a straightforward way to identify the mean properties of rising and subsiding air parcels. The results from the two-stream approximation are compared with two other definitions of the cloud mass flux. It is argued that the isentropic analysis offers a robust definition of the convective mass transport that is not tainted by the need to arbitrarily distinguish between convection and its environment, and that separates the irreversible convective overturning fromoscillations associated with gravity waves.

The researches on energy sustainability in Northern China

NASA Astrophysics Data System (ADS)

Wang, Ping; Zhu, Zhiqiang; Zhang, Shuang

2018-06-01

Energy, which accounts for two-thirds of today's greenhouse gas emissions, is the key to reducing greenhouse gas emissions and slowing global warming. In this paper, the IPCC-recommended reference approach and scenario analysis were applied to evaluate dynamic change of the energy supply and energy-related carbon dioxide emissions within the period of 2000-2025 in Northern China (NC). The results show that energy importing reliance reached 85% in 2015 and the energy structure has become more diversified in NC. In addition, the per-capita CO2 emission is significantly higher while carbon intensity is lower than those of the national average. Under the LC scenario, CO2 emissions begin to fall for the first time in 2022. Hence, if Energy-Saving and Emission-Reduction strategy and regional planning for NC are implemented fully, NC will achieve the national emission reduction targets in 2025 and will have a large CO2 mitigation potential in the future.

Effect of farming strategies on environmental impact of intensive dairy farms in Italy.

PubMed

Guerci, Matteo; Bava, Luciana; Zucali, Maddalena; Sandrucci, Anna; Penati, Chiara; Tamburini, Alberto

2013-08-01

Agriculture and animal husbandry are important contributors to global emissions of greenhouse (GHG) and acidifying gases. Moreover, they contribute to water pollution and to consumption of non-renewable natural resources such as land and energy. The Life Cycle Assessment (LCA) methodology allows evaluation of the environmental impact of a process from the production of inputs to the final product and to assess simultaneously several environmental impact categories among which GHG emissions, acidification, eutrophication, land use and energy use. The main purpose of this study was to evaluate, using the LCA methodology, the environmental impact of milk production in a sample of 41 intensive Italian dairy farms and to identify, among different farming strategies, those associated with the best environmental performances. The functional unit was 1 kg Fat and Protein Corrected Milk (FPCM). Farms showed characteristics of high production intensity: FPCM, expressed as tonnes per hectare, was 30·8±15·1. Total GHG emission per kg FPCM at farm gate was 1·30±0·19 kg CO2 eq. The main contributors to climate change potential were emissions from barns and manure storage (50·1%) and emissions for production and transportation of purchased feeds (21·2%). Average emission of gases causing acidification to produce 1 kg FPCM was 19·7±3·6 g of SO2 eq. Eutrophication potential was 9·01±1·78 ${\\rm PO}_{\\rm 4}^{{\\rm 3} -} {\\rm eq}.$ per kg FPCM on average. Farms from this study needed on average 5·97±1·32 MJ per kg FPCM from non-renewable energy sources. Energy consumption was mainly due to off-farm activities (58%) associated with purchased factors. Land use was 1·51±0·25 m2 per kg FPCM. The farming strategy based on high conversion efficiency at animal level was identified as the most effective to mitigate the environmental impact per kg milk at farm gate, especially in terms of GHG production and non-renewable energy use per kg FPCM.

Understanding decomposition and encapsulation energies of structure I and II clathrate hydrates

NASA Astrophysics Data System (ADS)

Alavi, Saman; Ohmura, Ryo

2016-10-01

When compressed with water or ice under high pressure and low temperature conditions, some gases form solid gas hydrate inclusion compounds which have higher melting points than ice under those pressures. In this work, we study the balance of the guest-water and water-water interaction energies that lead to the formation of the clathrate hydrate phases. In particular, molecular dynamics simulations with accurate water potentials are used to study the energetics of the formation of structure I (sI) and II (sII) clathrate hydrates of methane, ethane, and propane. The dissociation enthalpy of the clathrate hydrate phases, the encapsulation enthalpy of methane, ethane, and propane guests in the corresponding phases, and the average bonding enthalpy of water molecules are calculated and compared with accurate calorimetric measurements and previous classical and quantum mechanical calculations, when available. The encapsulation energies of methane, ethane, and propane guests stabilize the small and large sI and sII hydrate cages, with the larger molecules giving larger encapsulation energies. The average water-water interactions are weakened in the sI and sII phases compared to ice. The relative magnitudes of the van der Waals potential energy in ice and the hydrate phases are similar, but in the ice phase, the electrostatic interactions are stronger. The stabilizing guest-water "hydrophobic" interactions compensate for the weaker water-water interactions and stabilize the hydrate phases. A number of common assumptions regarding the guest-cage water interactions are used in the van der Waals-Platteeuw statistical mechanical theory to predict the clathrate hydrate phase stability under different pressure-temperature conditions. The present calculations show that some of these assumptions may not accurately reflect the physical nature of the interactions between guest molecules and the lattice waters.

Understanding decomposition and encapsulation energies of structure I and II clathrate hydrates.

PubMed

Alavi, Saman; Ohmura, Ryo

2016-10-21

When compressed with water or ice under high pressure and low temperature conditions, some gases form solid gas hydrate inclusion compounds which have higher melting points than ice under those pressures. In this work, we study the balance of the guest-water and water-water interaction energies that lead to the formation of the clathrate hydrate phases. In particular, molecular dynamics simulations with accurate water potentials are used to study the energetics of the formation of structure I (sI) and II (sII) clathrate hydrates of methane, ethane, and propane. The dissociation enthalpy of the clathrate hydrate phases, the encapsulation enthalpy of methane, ethane, and propane guests in the corresponding phases, and the average bonding enthalpy of water molecules are calculated and compared with accurate calorimetric measurements and previous classical and quantum mechanical calculations, when available. The encapsulation energies of methane, ethane, and propane guests stabilize the small and large sI and sII hydrate cages, with the larger molecules giving larger encapsulation energies. The average water-water interactions are weakened in the sI and sII phases compared to ice. The relative magnitudes of the van der Waals potential energy in ice and the hydrate phases are similar, but in the ice phase, the electrostatic interactions are stronger. The stabilizing guest-water "hydrophobic" interactions compensate for the weaker water-water interactions and stabilize the hydrate phases. A number of common assumptions regarding the guest-cage water interactions are used in the van der Waals-Platteeuw statistical mechanical theory to predict the clathrate hydrate phase stability under different pressure-temperature conditions. The present calculations show that some of these assumptions may not accurately reflect the physical nature of the interactions between guest molecules and the lattice waters.

Atomistic study of two-level systems in amorphous silica

NASA Astrophysics Data System (ADS)

Damart, T.; Rodney, D.

2018-01-01

Internal friction is analyzed in an atomic-scale model of amorphous silica. The potential energy landscape of more than 100 glasses is explored to identify a sample of about 700 two-level systems (TLSs). We discuss the properties of TLSs, particularly their energy asymmetry and barrier as well as their deformation potential, computed as longitudinal and transverse averages of the full deformation potential tensors. The discrete sampling is used to predict dissipation in the classical regime. Comparison with experimental data shows a better agreement with poorly relaxed thin films than well relaxed vitreous silica, as expected from the large quench rates used to produce numerical glasses. The TLSs are categorized in three types that are shown to affect dissipation in different temperature ranges. The sampling is also used to discuss critically the usual approximations employed in the literature to represent the statistical properties of TLSs.

Fluid transition layer between rigid solute and liquid solvent: is there depletion or enrichment?

PubMed

Djikaev, Yuri S; Ruckenstein, Eli

2016-03-21

The fluid layer between solute and liquid solvent is studied by combining the density functional theory with the probabilistic hydrogen bond model. This combination allows one to obtain the equilibrium distribution of fluid molecules, taking into account the hydrogen bond contribution to the external potential whereto they are subjected near the solute. One can find the effective width of the fluid solvent-solute transition layer and fluid average density in that layer, and determine their dependence on temperature, solvent-solute affinity, vicinal hydrogen bond (hb) energy alteration ratio, and solute radius. Numerical calculations are performed for the solvation of a plate and spherical solutes of four different radii in two model solvents (associated liquid and non-associated one) in the temperature range from 293 K to 333 K for various solvent-solute affinities and hydrogen bond energy alteration ratios. The predictions of our model for the effective width and average density of the transition layer are consistent with experiments and simulations. The small-to-large crossover lengthscale for hydrophobic hydration is expected to be about 3-5 nm. Remarkably, characterizing the transition layer with the average density, one can observe that for small hydrophobes, the transition layer becomes enriched with rather than depleted of fluid when the solvent-solute affinity and hb-energy alteration ratio become large enough. The boundary values of solvent-solute affinity and hb-energy alteration ratio, needed for the "depletion-to-enrichment" crossover (in the smoothed density sense), are predicted to decrease with increasing temperature.

Configuration interaction singles natural orbitals: An orbital basis for an efficient and size intensive multireference description of electronic excited states

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

Shu, Yinan; Levine, Benjamin G., E-mail: levine@chemistry.msu.edu; Hohenstein, Edward G.

2015-01-14

Multireference quantum chemical methods, such as the complete active space self-consistent field (CASSCF) method, have long been the state of the art for computing regions of potential energy surfaces (PESs) where complex, multiconfigurational wavefunctions are required, such as near conical intersections. Herein, we present a computationally efficient alternative to the widely used CASSCF method based on a complete active space configuration interaction (CASCI) expansion built from the state-averaged natural orbitals of configuration interaction singles calculations (CISNOs). This CISNO-CASCI approach is shown to predict vertical excitation energies of molecules with closed-shell ground states similar to those predicted by state averaged (SA)-CASSCFmore » in many cases and to provide an excellent reference for a perturbative treatment of dynamic electron correlation. Absolute energies computed at the CISNO-CASCI level are found to be variationally superior, on average, to other CASCI methods. Unlike SA-CASSCF, CISNO-CASCI provides vertical excitation energies which are both size intensive and size consistent, thus suggesting that CISNO-CASCI would be preferable to SA-CASSCF for the study of systems with multiple excitable centers. The fact that SA-CASSCF and some other CASCI methods do not provide a size intensive/consistent description of excited states is attributed to changes in the orbitals that occur upon introduction of non-interacting subsystems. Finally, CISNO-CASCI is found to provide a suitable description of the PES surrounding a biradicaloid conical intersection in ethylene.« less

Deconstructing Free Energies in the Law of Matching Water Affinities.

PubMed

Shi, Yu; Beck, Thomas

2017-03-09

The law of matching water affinities (LMWA) is explored in classical molecular dynamics simulations of several alkali halide ion pairs, spanning the size range from small kosmotropes to large chaotropes. The ion-ion potentials of mean force (PMFs) are computed using three methods: the local molecular field theory (LMFT), the weighted histogram analysis method (WHAM), and integration of the average force. All three methods produce the same total PMF for a given ion pair. In addition, LMFT-based partitioning into van der Waals and local and far-field electrostatic free energies and assessment of the enthalpic, entropic, and ion-water components yield insights into the origins of the observed free energy profiles in water. The results highlight the importance of local electrostatic interactions in determining the shape of the PMFs, while longer-ranged interactions enhance the overall ion-ion attraction, as expected in a dielectric continuum model. The association equilibrium constants are estimated from the smooth WHAM curves and compared to available experimental conductance data. By examining the variations in the average hydration numbers of ions with ion-ion distance, a correlation of the water structure in the hydration shells with the free energy features is found.

A flexible electrostatic kinetic energy harvester based on electret films of electrospun nanofibers

NASA Astrophysics Data System (ADS)

Lu, Y.; Capo-Chichi, M.; Leprince-Wang, Y.; Basset, P.

2018-01-01

This paper reports a paper-based electrostatic kinetic energy harvester (e-KEH) implementing multilayered electret films based on electrospun nanofibrous material. It is the first time that a fully flexible electret-based e-KEH is reported. The proposed electret, PVDF-PTFD nanofibrous covered by Parylene C, has a faster stabilization of surface potential than a planar thin film of Parylene C, and a higher stability of charge storage. With a maximum force of 0.5 N and a 3-layer electret, the device capacitance increases from 25 to 100 pF during a pressing operation. Working with the optimal resistive load of 16 MΩ, the device pressed manually delivers a peak instantaneous power up to 45.6 μW and an average energy of 54 nJ/stroke, corresponding to a peak instantaneous power density of 7.3 μW cm-2 and an average energy density of 8.6 nJ cm-2/stroke. Within 450 manual strokes, a 10 nF capacitor is charged up to 8.5 V by the prototype through a full-wave diode bridge. On a 1 μF capacitor, the energy delivery of 9.9 nJ/stroke has been obtained with a 10 Hz pressing movement excited by a vibrator with a maximum force of 0.5 N.

A Mobile Phone Based Method to Assess Energy and Food Intake in Young Children: A Validation Study against the Doubly Labelled Water Method and 24 h Dietary Recalls.

PubMed

Delisle Nyström, Christine; Forsum, Elisabet; Henriksson, Hanna; Trolle-Lagerros, Ylva; Larsson, Christel; Maddison, Ralph; Timpka, Toomas; Löf, Marie

2016-01-15

Mobile phones are becoming important instruments for assessing diet and energy intake. We developed the Tool for Energy Balance in Children (TECH), which uses a mobile phone to assess energy and food intake in pre-school children. The aims of this study were: (a) to compare energy intake (EI) using TECH with total energy expenditure (TEE) measured via doubly labelled water (DLW); and (b) to compare intakes of fruits, vegetables, fruit juice, sweetened beverages, candy, ice cream, and bakery products using TECH with intakes acquired by 24 h dietary recalls. Participants were 39 healthy, Swedish children (5.5 ± 0.5 years) within the ongoing Mobile-based Intervention Intended to Stop Obesity in Preschoolers (MINISTOP) obesity prevention trial. Energy and food intakes were assessed during four days using TECH and 24 h telephone dietary recalls. Mean EI (TECH) was not statistically different from TEE (DLW) (5820 ± 820 kJ/24 h and 6040 ± 680 kJ/24 h, respectively). No significant differences in the average food intakes using TECH and 24 h dietary recalls were found. All food intakes were correlated between TECH and the 24 h dietary recalls (ρ = 0.665-0.896, p < 0.001). In conclusion, TECH accurately estimated the average intakes of energy and selected foods and thus has the potential to be a useful tool for dietary studies in pre-school children, for example obesity prevention trials.

A Highly Active Low Voltage Redox Mediator for Enhanced Rechargeability of Lithium-Oxygen Batteries.

PubMed

Kundu, Dipan; Black, Robert; Adams, Brian; Nazar, Linda F

2015-12-23

Owing to its high theoretical specific energy, the Li-oxygen battery is one of the fundamentally most promising energy storage systems, but also one of the most challenging. Poor rechargeability, involving the oxidation of insoluble and insulating lithium peroxide (Li2O2), has remained the "Achilles' heel" of this electrochemical energy storage system. We report here on a new redox mediator tris[4-(diethylamino)phenyl]amine (TDPA), that-at 3.1 V-exhibits the lowest and closest potential redox couple compared to the equilibrium voltage of the Li-oxygen cell of those reported to date, with a second couple also at a low potential of 3.5 V. We show it is a soluble "catalyst" capable of lowering the Li2O2 charging potential by >0.8 V without requiring direct electrical contact of the peroxide and that it also facilitates high discharge capacities. Its chemical and electrochemical stability, fast diffusion kinetics, and two dynamic redox potentials represent a significant advance in oxygen-evolution catalysis. It enables Li-O2 cells that can be recharged more than 100 cycles with average round-trip efficiencies >80%, opening a new avenue for practical Li-oxygen batteries.

Potentials of Mean Force With Ab Initio Mixed Hamiltonian Models of Solvation

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

Dupuis, Michel; Schenter, Gregory K.; Garrett, Bruce C.

2003-08-01

We give an account of a computationally tractable and efficient procedure for the calculation of potentials of mean force using mixed Hamiltonian models of electronic structure where quantum subsystems are described with computationally intensive ab initio wavefunctions. The mixed Hamiltonian is mapped into an all-classical Hamiltonian that is amenable to a thermodynamic perturbation treatment for the calculation of free energies. A small number of statistically uncorrelated (solute-solvent) configurations are selected from the Monte Carlo random walk generated with the all-classical Hamiltonian approximation. Those are used in the averaging of the free energy using the mixed quantum/classical Hamiltonian. The methodology ismore » illustrated for the micro-solvated SN2 substitution reaction of methyl chloride by hydroxide. We also compare the potential of mean force calculated with the above protocol with an approximate formalism, one in which the potential of mean force calculated with the all-classical Hamiltonian is simply added to the energy of the isolated (non-solvated) solute along the reaction path. Interestingly the latter approach is found to be in semi-quantitative agreement with the full mixed Hamiltonian approximation.« less

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

Seiple, Timothy E.; Coleman, André M.; Skaggs, Richard L.

Within the United States and Puerto Rico, publicly owned treatment works (POTWs) process 130.5 Gl/d (34.5 Bgal/d) of wastewater, producing sludge as a waste product. Emerging technologies offer novel waste-to-energy pathways through whole sludge conversion into biofuels. Assessing the feasibility, scalability and tradeoffs of various energy conversion pathways is difficult in the absence of highly spatially resolved estimates of sludge production. In this study, average wastewater solids concentrations and removal rates, and site specific daily average influent flow are used to estimate site specific annual sludge production on a dry weight basis for >15,000 POTWs. Current beneficial uses, regional productionmore » hotspots and feedstock aggregation potential are also assessed. Analyses indicate 1) POTWs capture 12.56 Tg/y (13.84 MT/y) of dry solids; 2) 50% are not beneficially utilized, and 3) POTWs can support seven regions that aggregate >910 Mg/d (1000 T/d) of sludge within a travel distance of 100 km.« less

Field Assessment of Energy Audit Tools for Retrofit Programs

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

Edwards, J.; Bohac, D.; Nelson, C.

2013-07-01

This project focused on the use of home energy ratings as a tool to promote energy retrofits in existing homes. A home energy rating provides a quantitative appraisal of a home’s energy performance, usually compared to a benchmark such as the average energy use of similar homes in the same region. Rating systems based on energy performance models, the focus of this report, can establish a home’s achievable energy efficiency potential and provide a quantitative assessment of energy savings after retrofits are completed, although their accuracy needs to be verified by actual measurement or billing data. Ratings can also showmore » homeowners where they stand compared to their neighbors, thus creating social pressure to conform to or surpass others. This project field-tested three different building performance models of varying complexity, in order to assess their value as rating systems in the context of a residential retrofit program: Home Energy Score, SIMPLE, and REM/Rate.« less

Surface Impact Simulations of Helium Nanodroplets

DTIC Science & Technology

2015-06-30

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

Forest biomass and energy-wood potential in the southern United States

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

Saucier, J.R.

1993-12-31

Timber resource data were compiled from the most recent USDA Forest Service inventory data for the 12 Southern States from Virginia to Texas. Timber resource inventories traditionally include only trees 5 inches dbh and greater and their volumes to the prevailing merchantable top diameter expressed in cubic feet, board feet, or cords. For this paper, conversion factors were developed to express timber inventories in weight and to expand the inventories to include the crowns of merchantable trees and trees less than 5 inches dbh. By so doing, the total aboveground biomass is estimated for the timberlands in the South. Themore » region contains 185 million acres of timberland. Some 14.6 billion green tons of woody biomass are present on southern timberland -- about 79 tons per acre. When mature stands are harvested, the average acre in the South has 22.2 tons of woody material left in crowns and sapling, and 5.1 tons in cull stems. Thus, an average of 27.3 green tons per acre of potential energy wood are left after conventional harvests. Conversion factors that are presented permit estimates for specific tracts, areas, counties, or states.« less

Mode-locked thin-disk lasers and their potential application for high-power terahertz generation

NASA Astrophysics Data System (ADS)

Saraceno, Clara J.

2018-04-01

The progress achieved in the last few decades in the performance of ultrafast laser systems with high average power has been tremendous, and continues to provide momentum to new exciting applications, both in scientific research and technology. Among the various technological advances that have shaped this progress, mode-locked thin-disk oscillators have attracted significant attention as a unique technology capable of providing ultrashort pulses with high energy (tens to hundreds of microjoules) and at very high repetition rates (in the megahertz regime) from a single table-top oscillator. This technology opens the door to compact high repetition rate ultrafast sources spanning the entire electromagnetic spectrum from the XUV to the terahertz regime, opening various new application fields. In this article, we focus on their unexplored potential as compact driving sources for high average power terahertz generation.

SU-E-I-91: Quantitative Assessment of Early Hepatocellular Carcinoma and Cavernous Hemangioma of Live Using In-Line Phase-Contrast X-Ray Imaging

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

Duan, J

Purpose: To investigate the potential utility of in-line phase-contrast imaging (ILPCI) technique with synchrotron radiation in detecting early hepatocellular carcinoma and cavernous hemangioma of live using in vitro model system. Methods: Without contrast agents, three typical early hepatocellular carcinoma specimens and three typical cavernous hemangioma of live specimens were imaged using ILPCI. To quantitatively discriminate early hepatocellular carcinoma tissues and cavernous hemangioma tissues, the projection images texture feature based on gray level co-occurrence matrix (GLCM) were extracted. The texture parameters of energy, inertia, entropy, correlation, sum average, sum entropy, difference average, difference entropy and inverse difference moment, were obtained respectively.more » Results: In the ILPCI planar images of early hepatocellular carcinoma specimens, vessel trees were clearly visualized on the micrometer scale. Obvious distortion deformation was presented, and the vessel mostly appeared as a ‘dry stick’. Liver textures appeared not regularly. In the ILPCI planar images of cavernous hemangioma of live specimens, typical vessels had not been found compared with the early hepatocellular carcinoma planar images. The planar images of cavernous hemangioma of live specimens clearly displayed the dilated hepatic sinusoids with the diameter of less than 100 microns, but all of them were overlapped with each other. The texture parameters of energy, inertia, entropy, correlation, sum average, sum entropy, and difference average, showed a statistically significant between the two types specimens image (P<0.01), except the texture parameters of difference entropy and inverse difference moment(P>0.01). Conclusion: The results indicate that there are obvious changes in morphological levels including vessel structures and liver textures. The study proves that this imaging technique has a potential value in evaluating early hepatocellular carcinoma and cavernous hemangioma of live.« less

Tidal current and tidal energy changes imposed by a dynamic tidal power system in the Taiwan Strait, China

NASA Astrophysics Data System (ADS)

Dai, Peng; Zhang, Jisheng; Zheng, Jinhai

2017-12-01

The Taiwan Strait has recently been proposed as a promising site for dynamic tidal power systems because of its shallow depth and strong tides. Dynamic tidal power is a new concept for extracting tidal potential energy in which a coast-perpendicular dike is used to create water head and generate electricity via turbines inserted in the dike. Before starting such a project, the potential power output and hydrodynamic impacts of the dike must be assessed. In this study, a two-dimensional numerical model based on the Delft3D-FLOW module is established to simulate tides in China. A dike module is developed to account for turbine processes and estimate power output by integrating a special algorithm into the model. The domain decomposition technique is used to divide the computational zone into two subdomains with grid refinement near the dike. The hydrodynamic processes predicted by the model, both with and without the proposed construction, are examined in detail, including tidal currents and tidal energy flux. The predicted time-averaged power yields with various opening ratios are presented. The results show that time-averaged power yield peaks at an 8% opening ratio. For semidiurnal tides, the flow velocity increases in front of the head of the dike and decreases on either side. For diurnal tides, these changes are complicated by the oblique incidence of tidal currents with respect to the dike as well as by bathymetric features. The dike itself blocks the propagation of tidal energy flux.

Drinking to our health: can beverage companies cut calories while maintaining profits?

PubMed

Kleiman, S; Ng, S W; Popkin, B

2012-03-01

Carbonated soft drinks and other beverages make up an increasing percentage of energy intake, and there are rising public health concerns about the links between consumption of sugar-sweetened beverages and weight gain, obesity, and other cardiometabolic problems. In response, the food and beverage industry claims to be reformulating products, reducing package or portion sizes and introducing healthier options. Comparative analysis on various changes and their potential effects on public health are needed. We conduct a case study using the two largest and most influential producers of sweetened beverages, The Coca-Cola Company and PepsiCo Inc., who together control 34% of the global soft drink market, examining their product portfolios globally and in three critical markets (the United States, Brazil and China) from 2000 to 2010. On a global basis, total revenues and energy per capita sold increased, yet the average energy density (kJ 100 mL(-1) ) sold declined slightly, suggesting a shift to lower-calorie products. In the United States, both total energy per capita and average energy density of beverages sold decreased, while the opposite was true in the developing markets of Brazil and China, with total per capita energy increasing greatly in China and, to a lesser extent, in Brazil. © 2011 The Authors. obesity reviews © 2011 International Association for the Study of Obesity.

Modelling the impact of large dams on flows and hydropower production of the Sekong, Sesan and Srepok Rivers in the Mekong Basin

NASA Astrophysics Data System (ADS)

Piman, T.; Cochrane, T. A.; Arias, M. E.

2013-12-01

Water flow patterns in the Mekong River and its tributaries are changing due to water resources development, particularly as a result of on-going rapid hydropower development of tributaries for economic growth. Local communities and international observers are concerned that alterations of natural flow patterns will have great impacts on biodiversity, ecosystem services, food securing and livelihood in the basin. There is also concern that un-coordinated dam development will have an adverse impact on energy production potential of individual hydropower plants. Of immediate concern is the proposed hydropower development in the transboundary Srepok, Sesan and Srekong (3S) Basin, which contributes up to 20% of the Mekong's annual flows, has a large potential for energy production, and provides critical ecosystem services to local people and the downstream Tonle Sap Lake and the Mekong delta. To assess the magnitude of potential changes in flows and hydropower production, daily flows were simulated over 20 years (1986-2005) using the SWAT and HEC ResSim models for a range of dam development and operations scenarios. Simulations of all current and proposed hydropower development in the 3S basin (41 dams) using an operation scheme to maximize electricity production will increase average dry seasonal flows by 88.1% while average wet seasonal flows decrease by 24.7% when compared to the baseline (no dams) scenario, About 55% of dry season flows changes are caused by the seven largest proposed dams (Lower Srepok 3, Lower Srepok4, Lower Sesan 3, Lower Sesan and Srepok 2, Xekong 5, Xekong 4, and Xe Xou). The total active storage of the existing and ongoing hydropower projects is only 6,616 million m3 while the cumulative active storage of the seven large proposed dams is 17,679 million m3. The Lower Srepok 3 project causes the highest impact on seasonal flow changes. Average energy production of the existing and ongoing hydropower projects is 73.2 GWh/day. Additional benefits from energy production of the seven large proposed dams (33.0 GWh/day) are less than half compared to the cumulative benefits of the exiting and ongoing projects. In total, potential energy production of all dams is 129.1 GWh/day. Cascade dam simulations, under an independent operation regime, result in high electricity production of downstream dams, particularly of small storage dams. Hourly flow alterations, however, can be significant due to intra daily reservoir operations and warrant further study as well as impact of climate change on flows and hydropower operation. Strategic site selection and coordinated reservoir operations between countries and dam operators are necessary to achieve an acceptable level of energy production in the basin and mitigate negative impacts to seasonal flow patterns which sustain downstream ecosystem productivity and livelihoods.

Solar energy system economic evaluation: Contemporary Newman, Georgia

NASA Technical Reports Server (NTRS)

1980-01-01

An economic evaluation of performance of the solar energy system (based on life cycle costs versus energy savings) for five cities considered to be representative of a broad range of environmental and economic conditions in the United States is discussed. The considered life cycle costs are: hardware, installation, maintenance, and operating costs for the solar unique components of the total system. The total system takes into consideration long term average environmental conditions, loads, fuel costs, and other economic factors applicable in each of five cities. Selection criteria are based on availability of long term weather data, heating degree days, cold water supply temperature, solar insolation, utility rates, market potential, and type of solar system.

Solar energy system economic evaluation: Contemporary Newman, Georgia

NASA Astrophysics Data System (ADS)

1980-09-01

An economic evaluation of performance of the solar energy system (based on life cycle costs versus energy savings) for five cities considered to be representative of a broad range of environmental and economic conditions in the United States is discussed. The considered life cycle costs are: hardware, installation, maintenance, and operating costs for the solar unique components of the total system. The total system takes into consideration long term average environmental conditions, loads, fuel costs, and other economic factors applicable in each of five cities. Selection criteria are based on availability of long term weather data, heating degree days, cold water supply temperature, solar insolation, utility rates, market potential, and type of solar system.

Assessment of physical activity, energy expenditure and energy intakes of young men practicing aerobic sports.

PubMed

Wierniuk, Alicja; Włodarek, Dariusz

2014-01-01

Adequate nutrition and energy intake play key rule during the training period and recovery time. The assessment of athlete's energetic needs should be calculated individually, based on personal energy expenditure and Sense Wear PRO3 Armband (SWA) mobile monitor is a useful tool to achieve this goal. However, there is still few studies conducted with use of this monitor. To assess individual energy needs of athletes by use of SWA and to determine whether their energy intake fulfils the body's energy expenditure. Subjects were 15 male students attending Military University of Technology in Warsaw, aged 19-24 years, practicing aerobic. The average body mass was 80.7 ± 7.7 kg and average height was 186.9 ± 5.2 cm, (BMI 23.09 ± 1.85 kg/m2). Assessment of physical activity and energy expenditure (TEE) was established using SWA, which was placed on the back side of dominant hand and worn continuously for 48 hours (during the training and non-training day). The presented results are the average values of these 2 days. Assessment of athletes' physical activity level was established by use of metabolic equivalent of task (MET) and number of steps (NS). Estimation of energy intake was based on three-day dietary recalls (two weekdays and one day of the weekend), evaluated using the Polish Software 'Energia' package. The average TEE of examined athletes was 3877 ± 508 kcal/day and almost half of this energy was spend on physical activity (1898 ± 634 kcal/day). The number of steps was on average 19498 ± 5407 and average MET was 2.05 ± 2.09. The average daily energy intake was 2727 ± 576 kcal. Athletes consumed inadequate amount of energy in comparison to their energy expenditure. Examined group did not have an adequate knowledge about their energy requirement, which shows the need of nutritional consulting and education among these athletes. athletes, aerobic sports, energy expenditure, energy intake.

Hydropower's Biogenic Carbon Footprint.

PubMed

Scherer, Laura; Pfister, Stephan

2016-01-01

Global warming is accelerating and the world urgently needs a shift to clean and renewable energy. Hydropower is currently the largest renewable source of electricity, but its contribution to climate change mitigation is not yet fully understood. Hydroelectric reservoirs are a source of biogenic greenhouse gases and in individual cases can reach the same emission rates as thermal power plants. Little is known about the severity of their emissions at the global scale. Here we show that the carbon footprint of hydropower is far higher than previously assumed, with a global average of 173 kg CO2 and 2.95 kg CH4 emitted per MWh of electricity produced. This results in a combined average carbon footprint of 273 kg CO2e/MWh when using the global warming potential over a time horizon of 100 years (GWP100). Nonetheless, this is still below that of fossil energy sources without the use of carbon capture and sequestration technologies. We identified the dams most promising for capturing methane for use as alternative energy source. The spread among the ~1500 hydropower plants analysed in this study is large and highlights the importance of case-by-case examinations.

Thermal decomposition and kinetics of coal and fermented cornstalk using thermogravimetric analysis.

PubMed

He, Yuyuan; Chang, Chun; Li, Pan; Han, Xiuli; Li, Hongliang; Fang, Shuqi; Chen, Junying; Ma, Xiaojian

2018-07-01

The thermal behavior and kinetics of Yiluo coal (YC) and the residues of fermented cornstalk (FC) were investigated in this study. The Kissinger-Akahira-Sunose (KAS) and Flynn-Wall-Ozawa (FWO) methods were used for the kinetic analysis of the pyrolysis process. The results showed that the activation energy (E α ) was increased with the increase of the thermal conversion rate (α), and the average values of E α of YC, FC and the blend (m YC /m FC  = 6/4) were 304.26, 224.94 and 233.46 kJ/mol, respectively. The order reaction model function for the blend was also developed by the master-plots method. By comparing the E a and the enthalpy, it was found that the blend was favored to format activated complex due to the lower potential energy barrier. Meanwhile, the average value of Gibbs free energy of the blend was 169.83 kJ/mol, and the changes of entropies indicated that the pyrolysis process was evolved from ordered-state to disordered-state. Copyright © 2018 Elsevier Ltd. All rights reserved.

Energy conservation through utilization of mechanical energy storage

NASA Astrophysics Data System (ADS)

Eisenhaure, D. B.; Bliamptis, T. E.; Downer, J. R.; Heinemann, P. C.

Potential benefits regarding fuel savings, necessary technology, and evaluation criteria for the development of flywheel-hybrid vehicles are examined. A case study is quoted in which adoption of flywheel-hybrid vehicles in a taxi fleet would result in an increase of 10 mpg average to 32 mpg. Two proposed systems are described, one involving direct engine power to the flywheel and the second regenerating the flywheel from braking energy through a continuously variable transmission. Fuel consumption characteristics are considered the ultimate determinant in the choice of configuration, while material properties and housing shape determine the flywheel speed range. Vehicle losses are characterized and it is expected that a flywheel at 12,000 rpm will experience less than one hp average parasitic power loss. Flywheel storage is suitable for smaller engines because larger engines dominate the power train mass. Areas considered important for further investigation include reliability of an engine run near maximum torque, noise and vibration associated with flywheel operation, start up delays, compatibility of driver controls, integration of normal with regenerative braking systems, and, most importantly, the continuously variable transmission.

Investigation of the spatially isotropic component of the laterally averaged molecular hydrogen/Ag(111) physisorption potential

NASA Astrophysics Data System (ADS)

Yu, Chien-fan; Whaley, K. Birgitta; Hogg, C. S.; Sibener, S. J.

1985-10-01

A comprehensive study of the spatially isotropic component of the laterally averaged molecular hydrogen/Ag(111) physisorption potential is presented. Diffractive selective adsorption scattering resonances for rotationally state-selected H2 and D2 on Ag(111) have been mapped out as a function of incident polar angle for several crystal azimuths and beam energies. These resonances have been used to determine the bound eigenvalues, and subsequently the shape, of the potential well. Best fit Lennard-Jones, Morse, variable exponent, and exponential-3 potentials having well depths of ˜32 meV are derived from the data. These measurements are supported by rotationally inelastic scattering measurements for HD and exact close-coupled quantum scattering calculations. Debye-Waller attenuation measurements are also presented for H2, D2, and HD. The ability to detect these diffractively coupled resonances on a closest-packed metallic surface, i.e., a surface of extremely low corrugation, suggests that such measurements can be carried out on a much wider class of surfaces than previously envisioned.

Investigation of the spatially isotropic component of the laterally averaged molecular hydrogen/Ag(3) physisorption potential

NASA Astrophysics Data System (ADS)

Yu, C. F.; Whaley, K. B.; Hogg, C. S.; Sibener, S. J.

1985-08-01

A comprehensive study of the spatially isotropic component of the laterally averaged molecular hydrogen/Ag(111) physisorption potential is presented. Diffractive selective adsorption scattering resonances for rotationally state-selected H2 and D2 on Ag(111) have been mapped out as a function of incident polar angle for several crystal azimuths and beam energies. These resonances have been used to determine the bound eigenvalues, and subsequently the shape, of the potential well. Best fit Lennard-Jones, Morse, variable exponent, and exponential-3 potentials having well depths of approximately 32 MeV are derived from the data. These measurements are supported by rotationally inelastic scattering measurements for HD and exact close-coupled quantum scattering calculations. Debye-Waller attenuation measurements are also presented for H2, D2, and HD. The ability to detect these diffractively coupled resonances on a closest-packed metallic surface, i.e., a surface of extremely low corrugation, suggests that such measurements can be carried out on a much wider class of surfaces than previously envisioned.

Bulk properties of the medium produced in relativistic heavy-ion collisions from the beam energy scan program

NASA Astrophysics Data System (ADS)

Adamczyk, L.; Adkins, J. K.; Agakishiev, G.; Aggarwal, M. M.; Ahammed, Z.; Ajitanand, N. N.; Alekseev, I.; Anderson, D. M.; Aoyama, R.; Aparin, A.; Arkhipkin, D.; Aschenauer, E. C.; Ashraf, M. U.; Attri, A.; Averichev, G. S.; Bai, X.; Bairathi, V.; Behera, A.; Bellwied, R.; Bhasin, A.; Bhati, A. K.; Bhattarai, P.; Bielcik, J.; Bielcikova, J.; Bland, L. C.; Bordyuzhin, I. G.; Bouchet, J.; Brandenburg, J. D.; Brandin, A. V.; Brown, D.; Bunzarov, I.; Butterworth, J.; Caines, H.; Calderón de la Barca Sánchez, M.; Campbell, J. M.; Cebra, D.; Chakaberia, I.; Chaloupka, P.; Chang, Z.; Chankova-Bunzarova, N.; Chatterjee, A.; Chattopadhyay, S.; Chen, X.; Chen, J. H.; Chen, X.; Cheng, J.; Cherney, M.; Christie, W.; Contin, G.; Crawford, H. J.; Das, S.; De Silva, L. C.; Debbe, R. R.; Dedovich, T. G.; Deng, J.; Derevschikov, A. A.; Didenko, L.; Dilks, C.; Dong, X.; Drachenberg, J. L.; Draper, J. E.; Dunkelberger, L. E.; Dunlop, J. C.; Efimov, L. G.; Elsey, N.; Engelage, J.; Eppley, G.; Esha, R.; Esumi, S.; Evdokimov, O.; Ewigleben, J.; Eyser, O.; Fatemi, R.; Fazio, S.; Federic, P.; Federicova, P.; Fedorisin, J.; Feng, Z.; Filip, P.; Finch, E.; Fisyak, Y.; Flores, C. E.; Fulek, L.; Gagliardi, C. A.; Garand, D.; Geurts, F.; Gibson, A.; Girard, M.; Grosnick, D.; Gunarathne, D. S.; Guo, Y.; Gupta, A.; Gupta, S.; Guryn, W.; Hamad, A. I.; Hamed, A.; Harlenderova, A.; Harris, J. W.; He, L.; Heppelmann, S.; Heppelmann, S.; Hirsch, A.; Hoffmann, G. W.; Horvat, S.; Huang, T.; Huang, B.; Huang, X.; Huang, H. Z.; Humanic, T. J.; Huo, P.; Igo, G.; Jacobs, W. W.; Jentsch, A.; Jia, J.; Jiang, K.; Jowzaee, S.; Judd, E. G.; Kabana, S.; Kalinkin, D.; Kang, K.; Kauder, K.; Ke, H. W.; Keane, D.; Kechechyan, A.; Khan, Z.; Kikoła, D. P.; Kisel, I.; Kisiel, A.; Kochenda, L.; Kocmanek, M.; Kollegger, T.; Kosarzewski, L. K.; Kraishan, A. F.; Kravtsov, P.; Krueger, K.; Kulathunga, N.; Kumar, L.; Kvapil, J.; Kwasizur, J. H.; Lacey, R.; Landgraf, J. M.; Landry, K. D.; Lauret, J.; Lebedev, A.; Lednicky, R.; Lee, J. H.; Li, X.; Li, C.; Li, W.; Li, Y.; Lidrych, J.; Lin, T.; Lisa, M. A.; Liu, H.; Liu, P.; Liu, Y.; Liu, F.; Ljubicic, T.; Llope, W. J.; Lomnitz, M.; Longacre, R. S.; Luo, S.; Luo, X.; Ma, G. L.; Ma, L.; Ma, Y. G.; Ma, R.; Magdy, N.; Majka, R.; Mallick, D.; Margetis, S.; Markert, C.; Matis, H. S.; Meehan, K.; Mei, J. C.; Miller, Z. W.; Minaev, N. G.; Mioduszewski, S.; Mishra, D.; Mizuno, S.; Mohanty, B.; Mondal, M. M.; Morozov, D. A.; Mustafa, M. K.; Nasim, Md.; Nayak, T. K.; Nelson, J. M.; Nie, M.; Nigmatkulov, G.; Niida, T.; Nogach, L. V.; Nonaka, T.; Nurushev, S. B.; Odyniec, G.; Ogawa, A.; Oh, K.; Okorokov, V. A.; Olvitt, D.; Page, B. S.; Pak, R.; Pandit, Y.; Panebratsev, Y.; Pawlik, B.; Pei, H.; Perkins, C.; Pile, P.; Pluta, J.; Poniatowska, K.; Porter, J.; Posik, M.; Poskanzer, A. M.; Pruthi, N. K.; Przybycien, M.; Putschke, J.; Qiu, H.; Quintero, A.; Ramachandran, S.; Ray, R. L.; Reed, R.; Rehbein, M. J.; Ritter, H. G.; Roberts, J. B.; Rogachevskiy, O. V.; Romero, J. L.; Roth, J. D.; Ruan, L.; Rusnak, J.; Rusnakova, O.; Sahoo, N. R.; Sahu, P. K.; Salur, S.; Sandweiss, J.; Saur, M.; Schambach, J.; Schmah, A. M.; Schmidke, W. B.; Schmitz, N.; Schweid, B. R.; Seger, J.; Sergeeva, M.; Seyboth, P.; Shah, N.; Shahaliev, E.; Shanmuganathan, P. V.; Shao, M.; Sharma, A.; Sharma, M. K.; Shen, W. Q.; Shi, Z.; Shi, S. S.; Shou, Q. Y.; Sichtermann, E. P.; Sikora, R.; Simko, M.; Singha, S.; Skoby, M. J.; Smirnov, N.; Smirnov, D.; Solyst, W.; Song, L.; Sorensen, P.; Spinka, H. M.; Srivastava, B.; Stanislaus, T. D. S.; Strikhanov, M.; Stringfellow, B.; Sugiura, T.; Sumbera, M.; Summa, B.; Sun, Y.; Sun, X. M.; Sun, X.; Surrow, B.; Svirida, D. N.; Tang, A. H.; Tang, Z.; Taranenko, A.; Tarnowsky, T.; Tawfik, A.; Thäder, J.; Thomas, J. H.; Timmins, A. R.; Tlusty, D.; Todoroki, T.; Tokarev, M.; Trentalange, S.; Tribble, R. E.; Tribedy, P.; Tripathy, S. K.; Trzeciak, B. A.; Tsai, O. D.; Ullrich, T.; Underwood, D. G.; Upsal, I.; Van Buren, G.; van Nieuwenhuizen, G.; Vasiliev, A. N.; Videbæk, F.; Vokal, S.; Voloshin, S. A.; Vossen, A.; Wang, G.; Wang, Y.; Wang, F.; Wang, Y.; Webb, J. C.; Webb, G.; Wen, L.; Westfall, G. D.; Wieman, H.; Wissink, S. W.; Witt, R.; Wu, Y.; Xiao, Z. G.; Xie, W.; Xie, G.; Xu, J.; Xu, N.; Xu, Q. H.; Xu, Y. F.; Xu, Z.; Yang, Y.; Yang, Q.; Yang, C.; Yang, S.; Ye, Z.; Ye, Z.; Yi, L.; Yip, K.; Yoo, I.-K.; Yu, N.; Zbroszczyk, H.; Zha, W.; Zhang, Z.; Zhang, X. P.; Zhang, J. B.; Zhang, S.; Zhang, J.; Zhang, Y.; Zhang, J.; Zhang, S.; Zhao, J.; Zhong, C.; Zhou, L.; Zhou, C.; Zhu, X.; Zhu, Z.; Zyzak, M.; STAR Collaboration

2017-10-01

We present measurements of bulk properties of the matter produced in Au+Au collisions at √{sN N}=7.7 ,11.5 ,19.6 ,27 , and 39 GeV using identified hadrons (π±, K±, p , and p ¯) from the STAR experiment in the Beam Energy Scan (BES) Program at the Relativistic Heavy Ion Collider (RHIC). Midrapidity (|y |<0.1 ) results for multiplicity densities d N /d y , average transverse momenta 〈pT〉 , and particle ratios are presented. The chemical and kinetic freeze-out dynamics at these energies are discussed and presented as a function of collision centrality and energy. These results constitute the systematic measurements of bulk properties of matter formed in heavy-ion collisions over a broad range of energy (or baryon chemical potential) at RHIC.

Quantum dynamics of water dissociative chemisorption on rigid Ni(111): An approximate nine-dimensional treatment

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

Jiang, Bin, E-mail: bjiangch@ustc.edu.cn, E-mail: hguo@unm.edu; Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131; Song, Hongwei

The quantum dynamics of water dissociative chemisorption on the rigid Ni(111) surface is investigated using a recently developed nine-dimensional potential energy surface. The quantum dynamical model includes explicitly seven degrees of freedom of D{sub 2}O at fixed surface sites, and the final results were obtained with a site-averaging model. The mode specificity in the site-specific results is reported and analyzed. Finally, the approximate sticking probabilities for various vibrationally excited states of D{sub 2}O are obtained considering surface lattice effects and formally all nine degrees of freedom. The comparison with experiment reveals the inaccuracy of the density functional theory and suggestsmore » the need to improve the potential energy surface.« less

Fusion Blanket Coolant Section Criteria, Methodology, and Results

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

DeMuth, J. A.; Meier, W. R.; Jolodosky, A.

2015-10-02

The focus of this LDRD was to explore potential Li alloys that would meet the tritium breeding and blanket cooling requirements but with reduced chemical reactivity, while maintaining the other attractive features of pure Li breeder/coolant. In other fusion approaches (magnetic fusion energy or MFE), 17Li- 83Pb alloy is used leveraging Pb’s ability to maintain high TBR while lowering the levels of lithium in the system. Unfortunately this alloy has a number of potential draw-backs. Due to the high Pb content, this alloy suffers from very high average density, low tritium solubility, low system energy, and produces undesirable activation productsmore » in particular polonium. The criteria considered in the selection of a tritium breeding alloy are described in the following section.« less

Solar energy system performance evaluation: Seasonal report for Elcam Tempe Arizona State University, Tempe, Arizona

NASA Technical Reports Server (NTRS)

1980-01-01

The solar system, Elcam-Tempe, was designed by Elcam Incorporated, Santa Barbara, California, to supply commercial domestic hot water heating systems to the Agriculture Department residence at Arizona State University. The building is a single story residence located at the agriculture experiment farm of the Arizona State University. The energy system's four modes of operation are described. Electrical energy savings at the site was a net of 5.54 million Btu after the 0.17 million Btu of operating energy required to operate collector loop circulating pump were subtracted. The energy savings due to solar was less than the system's potential. On an average, twice as much hot water could have been used with significant solar energy contribution. The system corrosion and deposits caused by using dissimilar metals in the collector loop was the only problem noted with the Elcam-Tempe system.

Wave power potential in Malaysian territorial waters

NASA Astrophysics Data System (ADS)

Asmida Mohd Nasir, Nor; Maulud, Khairul Nizam Abdul

2016-06-01

Up until today, Malaysia has used renewable energy technology such as biomass, solar and hydro energy for power generation and co-generation in palm oil industries and also for the generation of electricity, yet, we are still far behind other countries which have started to optimize waves for similar production. Wave power is a renewable energy (RE) transported by ocean waves. It is very eco-friendly and is easily reachable. This paper presents an assessment of wave power potential in Malaysian territorial waters including waters of Sabah and Sarawak. In this research, data from Malaysia Meteorology Department (MetMalaysia) is used and is supported by a satellite imaginary obtained from National Aeronautics and Space Administration (NASA) and Malaysia Remote Sensing Agency (ARSM) within the time range of the year 1992 until 2007. There were two types of analyses conducted which were mask analysis and comparative analysis. Mask analysis of a research area is the analysis conducted to filter restricted and sensitive areas. Meanwhile, comparative analysis is an analysis conducted to determine the most potential area for wave power generation. Four comparative analyses which have been carried out were wave power analysis, comparative analysis of wave energy power with the sea topography, hot-spot area analysis and comparative analysis of wave energy with the wind speed. These four analyses underwent clipping processes using Geographic Information System (GIS) to obtain the final result. At the end of this research, the most suitable area to develop a wave energy converter was found, which is in the waters of Terengganu and Sarawak. Besides that, it was concluded that the average potential energy that can be generated in Malaysian territorial waters is between 2.8kW/m to 8.6kW/m.

Atomic solid state energy scale: Universality and periodic trends in oxidation state

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

Pelatt, Brian D.; Kokenyesi, Robert S.; Ravichandran, Ram

2015-11-15

The atomic solid state energy (SSE) scale originates from a plot of the electron affinity (EA) and ionization potential (IP) versus band gap (E{sub G}). SSE is estimated for a given atom by assessing an average EA (for a cation) or an average IP (for an anion) for binary inorganic compounds having that specific atom as a constituent. Physically, SSE is an experimentally-derived average frontier orbital energy referenced to the vacuum level. In its original formulation, 69 binary closed-shell inorganic semiconductors and insulators were employed as a database, providing SSE estimates for 40 elements. In this contribution, EA and IPmore » versus E{sub G} are plotted for an additional 92 compounds, thus yielding SSE estimates for a total of 64 elements from the s-, p-, d-, and f-blocks of the periodic table. Additionally, SSE is refined to account for its dependence on oxidation state. Although most cations within the SSE database are found to occur in a single oxidation state, data are available for nine d-block transition metals and one p-block main group metal in more than one oxidation state. SSE is deeper in energy for a higher cation oxidation state. Two p-block main group non-metals within the SSE database are found to exist in both positive and negative oxidation states so that they can function as a cation or anion. SSEs for most cations are positioned above −4.5 eV with respect to the vacuum level, and SSEs for all anions are positioned below. Hence, the energy −4.5 eV, equal to the hydrogen donor/acceptor ionization energy ε(+/−) or equivalently the standard hydrogen electrode energy, is considered to be an absolute energy reference for chemical bonding in the solid state. - Highlights: • Atomic solid-state energies are estimated for 64 elements from experimental data. • The relationship between atomic SSEs and oxidation state is assessed. • Cations are positioned above and absolute energy of −4.5 eV and anions below.« less

Mechanics of the animate.

PubMed Central

Killeen, P R

1992-01-01

Behavior is treated as basic physics. Dimensions are identified and their transformations from physical specification to axes in behavioral space are suggested. Responses are treated as action patterns arrayed along a continuum of activation energy. Behavior is seen as movement along a trajectory through this behavior space. Incentives or reinforcers are attractors in behavior space, at the centers of basins of lowered potential. Trajectories impinging on such basins may be captured; repeated capture will warp the trajectory toward a geodesic, a process called conditioning. Conditioning is enhanced by contiguity, the proximity between the measured behavior and the incentive at the end of the trajectory, and by contingency, the depth of the trajectory below the average level of the potential energy landscape. Motivation is seen as the potential of an organism for motion under the forces impinging on it. Degree of motivation is characterized by the depth of the potential field, with low motivation corresponding to a flat field and a flat gradient of activation energy. Drives are the forces of incentives propagated through behavior space. Different laws for the attenuation of drive with behavioral distance are discussed, as is the dynamics of action. The basic postulate of behavior mechanics is incentive-tracking in behavior space, the energy for which is provided by decreases in potential. The relation of temporal gradients to response differentiation and temporal discrimination is analyzed. Various two-body problems are sketched to illustrate the application of these ideas to association, choice, scalar timing, self-control, and freedom. PMID:1602272

Computation of molecular vibrational frequencies using anomalous harmoniclike potentials.

PubMed

Li, Xiangzhu; Paldus, Josef

2009-07-28

The instabilities of Hartree-Fock (HF) solutions at or near the equilibrium geometry of symmetric molecular species imply the existence of broken-symmetry solutions having a lower energy than the corresponding symmetry-adapted ones. Moreover, the distortion of the nuclear framework along the normal modes that are implied by such broken-symmetry solutions results in an anomalous or even singular behavior in the corresponding cuts of the potential energy surface (PES). Using such HF solutions as a reference, these anomalies propagate to a post-HF level and make it impossible to determine reliable harmonic or fundamental vibrational frequencies for such modes by relying on either numerical or analytical differentiation of the PES, requiring instead a numerical integration of the Schrodinger equation for the nuclear motion. This, in turn, requires a detailed knowledge on the PES in a wide range of geometries, necessitating a computation of the potential energy function in a large number of points. We present an alternative approach to this problem, referred to as the integral averaging method (IAM), which facilitates this task by significantly reducing the number of geometries for which one has to compute the potential energy while yielding results of practically the same accuracy as the solution of the Schrodinger equation. The IAM is applied to several ABA-type triatomics and to the allyl radical, whose asymmetric stretching mode potential suffers from an anomalous behavior due to the spin-preserving instabilities in restricted open-shell HF solutions.

Direct mapping between exchange potentials of Hartree-Fock and Kohn-Sham schemes as origin of orbital proximity

NASA Astrophysics Data System (ADS)

Cinal, M.

2010-01-01

It is found that for closed-l-shell atoms, the exact local exchange potential vx(r) calculated in the exchange-only Kohn-Sham (KS) scheme of the density functional theory (DFT) is very well represented within the region of every atomic shell by each of the suitably shifted potentials obtained with the nonlocal Fock exchange operator for the individual Hartree-Fock (HF) orbitals belonging to this shell. This newly revealed property is not related to the well-known steplike shell structure in the response part of vx(r), but it results from specific relations satisfied by the HF orbital exchange potentials. These relations explain the outstanding proximity of the occupied HF and exchange-only KS orbitals as well as the high quality of the Krieger-Li-Iafrate and localized HF (or, equivalently, common-energy-denominator) approximations to the DFT exchange potential vx(r). Another highly accurate representation of vx(r) is given by the continuous piecewise function built of shell-specific exchange potentials, each defined as the weighted average of the shifted orbital exchange potentials corresponding to a given shell. The constant shifts added to the HF orbital exchange potentials, to map them onto vx(r), are nearly equal to the differences between the energies of the corresponding KS and HF orbitals. It is discussed why these differences are positive and grow when the respective orbital energies become lower for inner orbitals.

Adaptive Monte Carlo methods

NASA Astrophysics Data System (ADS)

Fasnacht, Marc

We develop adaptive Monte Carlo methods for the calculation of the free energy as a function of a parameter of interest. The methods presented are particularly well-suited for systems with complex energy landscapes, where standard sampling techniques have difficulties. The Adaptive Histogram Method uses a biasing potential derived from histograms recorded during the simulation to achieve uniform sampling in the parameter of interest. The Adaptive Integration method directly calculates an estimate of the free energy from the average derivative of the Hamiltonian with respect to the parameter of interest and uses it as a biasing potential. We compare both methods to a state of the art method, and demonstrate that they compare favorably for the calculation of potentials of mean force of dense Lennard-Jones fluids. We use the Adaptive Integration Method to calculate accurate potentials of mean force for different types of simple particles in a Lennard-Jones fluid. Our approach allows us to separate the contributions of the solvent to the potential of mean force from the effect of the direct interaction between the particles. With contributions of the solvent determined, we can find the potential of mean force directly for any other direct interaction without additional simulations. We also test the accuracy of the Adaptive Integration Method on a thermodynamic cycle, which allows us to perform a consistency check between potentials of mean force and chemical potentials calculated using the Adaptive Integration Method. The results demonstrate a high degree of consistency of the method.

Birefringent breakup of Dirac fermions on a square optical lattice

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

Kennett, Malcolm P.; Komeilizadeh, Nazanin; Kaveh, Kamran

2011-05-15

We introduce a lattice model for fermions in a spatially periodic magnetic field that also has spatially periodic hopping amplitudes. We discuss how this model might be realized with cold atoms in an artificial magnetic field on a square optical lattice. When there is an average flux of half a flux quantum per plaquette, the spectrum of low-energy excitations can be described by massless Dirac fermions in which the usually doubly degenerate Dirac cones split into cones with different ''speeds of light.'' These gapless birefringent Dirac fermions arise because of broken chiral symmetry in the kinetic energy term of themore » effective low-energy Hamiltonian. We characterize the effects of various perturbations to the low-energy spectrum, including staggered potentials, interactions, and domain-wall topological defects.« less

Optical perturbation of atoms in weak localization

NASA Astrophysics Data System (ADS)

Yedjour, A.

2018-01-01

We determine the microscopic transport parameters that are necessary to describe the diffusion process of the atomic gas in optical speckle. We use the self-consistent theory to calculate the self-energy of the atomic gas. We compute the spectral function numerically by an average over disorder realizations in terms of the Greens function. We focus mainly on the behaviour of the energy distribution of the atoms to estimate a correction to the mobility edge. Our results show that the energy distribution of the atoms locates the mobility edge position under the disorder amplitude. This behaviour changes for each disorder parameter. We conclude that the disorder amplitude potential induced modification of the energy distribution of the atoms that plays a major role for the prediction of the mobility edge.

Low-Energy Plasma Focus Device as an Electron Beam Source

PubMed Central

Seong Ling, Yap; Naresh Kumar, Nitturi; Lian Kuang, Lim; Chiow San, Wong

2014-01-01

A low-energy plasma focus device was used as an electron beam source. A technique was developed to simultaneously measure the electron beam intensity and energy. The system was operated in Argon filling at an optimum pressure of 1.7 mbar. A Faraday cup was used together with an array of filtered PIN diodes. The beam-target X-rays were registered through X-ray spectrometry. Copper and lead line radiations were registered upon usage as targets. The maximum electron beam charge and density were estimated to be 0.31 μC and 13.5 × 1016/m3, respectively. The average energy of the electron beam was 500 keV. The high flux of the electron beam can be potentially applicable in material sciences. PMID:25544952

Potential of solid waste utilization as source of refuse derived fuel (RDF) energy (case study at temporary solid waste disposal site in West Jakarta)

NASA Astrophysics Data System (ADS)

Indrawati, D.; Lindu, M.; Denita, P.

2018-01-01

This study aims to measure the volume of solid waste generated as well asits density, composition, and characteristics, to analyze the potential of waste in TPS to become RDF materials and to analyze the best composition mixture of RDF materials. The results show that the average of solid waste generation in TPS reaches 40.80 m3/day, with the largest percentage of its share is the organic waste component of 77.9%, while the smallest amount of its share is metal and rubber of 0.1%. The average water content and ash content of solid waste at the TPS is 27.7% and 6.4% respectively, while the average calorific potential value is 728.71 kcal/kg. The results of solid waste characteristics comparison at three TPS indicate thatTPS Tanjung Duren has the greatest waste potential to be processed into RDF materials with a calorific value of 893.73 kcal/kg, water content level of 24.6%, andlow ash content of 6.11%. This research has also shown that the best composition for RDF composite materials is rubber, wood, and textile mixtureexposed to outdoor drying conditions because it produced low water content and low ash content of 10.8% and 9.6%, thus optimizedthe calorific value of 4,372.896 kcal/kg.

Group hibernation does not reduce energetic costs of young yellow-bellied marmots.

PubMed

Armitage, Kenneth B; Woods, Brett C

2003-01-01

We investigated mechanisms of energy conservation during hibernation. The amount of time torpid was significantly less for groups of three young marmots than for marmots hibernating singly. Mean daily mass loss (DML; as mg d(-1) g(-1) immergence mass) averaged 1.33 for single marmots and 1.46 for grouped young. Animals were active 17.3% of the time, which used 82.4% of the energy, and were torpid 82.7% of the time, which used 17.6% of the energy expenditure. During longer torpor bouts, more time was spent in deep torpor, which decreased the hourly cost of a complete bout. Bout oxygen consumption V dot o2, percent time in deep torpor, and body temperature (T(B)) during deep torpor changed seasonally and were curvilinearly related to when in the hibernation period the measurements were made and probably represent a stage in the circannual metabolic cycle. The decrease of environmental temperature (T(E)) to 2 degrees C significantly increased metabolism. Potential costs of low T(E) were reduced by allowing T(B) to decrease, thereby reducing the T(B) to T(E) gradient. Average monthly metabolic rate was high early and late in the hibernation period when time spent euthermic was greater and when VO2 was higher. Over the hibernation period, energy saved averaged 77.1% and 88.0% of the costs for winter and summer euthermic metabolism, respectively. Hibernation costs were reduced by the seasonal changes, the high percentage of time in torpor, the rapid decline in V dot o2 following arousal, and allowing T(B) to decline at lower T(E). Asynchrony in the torpor cycles increased energy expenditures in group hibernators, which negated possible beneficial effects of group hibernation.

Investigating the mechanisms responsible for the lack of surface energy balance closure in a central Amazonian tropical rainforest

DOE PAGES

Gerken, Tobias; Ruddell, Benjamin L.; Fuentes, Jose D.; ...

2017-04-29

This work investigates the diurnal and seasonal behavior of the energy balance residual (E) that results from the observed difference between available energy and the turbulent fluxes of sensible heat (H) and latent heat (LE) at the FLUXNET BR-Ma2 site located in the Brazilian central Amazon rainforest. The behavior of E is analyzed by extending the eddy covariance averaging length from 30 min to 4 h and by applying an Information Flow Dynamical Process Network to diagnose processes and conditions affecting E across different seasons. Results show that the seasonal turbulent flux dynamics and the Bowen ratio are primarily drivenmore » by net radiation (R n), with substantial sub-seasonal variability. The Bowen ratio increased from 0.25 in April to 0.4 at the end of September. Extension of the averaging length from 0.5 (94.6% closure) to 4 h and thus inclusion of longer timescale eddies and mesoscale processes closes the energy balance and lead to an increase in the Bowen ratio, thus highlighting the importance of additional H to E. Information flow analysis reveals that the components of the energy balance explain between 25 and 40% of the total Shannon entropy with higher values during the wet season than the dry season. Dry season information flow from the buoyancy flux to E are 30–50% larger than that from H, indicating the potential importance of buoyancy fluxes to closing E. While the low closure highlights additional sources not captured in the flux data and random measurement errors contributing to E, the findings of the information flow and averaging length analysis are consistent with the impact of mesoscale circulations, which tend to transport more H than LE, on the lack of closure.« less

Investigating the mechanisms responsible for the lack of surface energy balance closure in a central Amazonian tropical rainforest

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

Gerken, Tobias; Ruddell, Benjamin L.; Fuentes, Jose D.

This work investigates the diurnal and seasonal behavior of the energy balance residual (E) that results from the observed difference between available energy and the turbulent fluxes of sensible heat (H) and latent heat (LE) at the FLUXNET BR-Ma2 site located in the Brazilian central Amazon rainforest. The behavior of E is analyzed by extending the eddy covariance averaging length from 30 min to 4 h and by applying an Information Flow Dynamical Process Network to diagnose processes and conditions affecting E across different seasons. Results show that the seasonal turbulent flux dynamics and the Bowen ratio are primarily drivenmore » by net radiation (R n), with substantial sub-seasonal variability. The Bowen ratio increased from 0.25 in April to 0.4 at the end of September. Extension of the averaging length from 0.5 (94.6% closure) to 4 h and thus inclusion of longer timescale eddies and mesoscale processes closes the energy balance and lead to an increase in the Bowen ratio, thus highlighting the importance of additional H to E. Information flow analysis reveals that the components of the energy balance explain between 25 and 40% of the total Shannon entropy with higher values during the wet season than the dry season. Dry season information flow from the buoyancy flux to E are 30–50% larger than that from H, indicating the potential importance of buoyancy fluxes to closing E. While the low closure highlights additional sources not captured in the flux data and random measurement errors contributing to E, the findings of the information flow and averaging length analysis are consistent with the impact of mesoscale circulations, which tend to transport more H than LE, on the lack of closure.« less

Two-order-parameter description of liquid Al under five different pressures

NASA Astrophysics Data System (ADS)

Li, Y. D.; Hao, Qing-Hai; Cao, Qi-Long; Liu, C. S.

2008-11-01

In the present work, using the glue potential, the constant pressure molecular-dynamics simulations of liquid Al under five various pressures and a systematic analysis of the local atomic structures have been performed in order to test the two-order-parameter model proposed by Tanaka [Phys. Rev. Lett. 80, 5750 (1998)] originally for explaining the unusual behaviors of liquid water. The temperature dependence of the bond order parameter Q6 in liquid Al under five different pressures can be well fitted by the functional expression (Q6)/(1-Q6)=Q60exp((ΔE-PΔV)/(kBT)) which produces the energy gain ΔE and the volume change upon the formation of a locally favored structure: ΔE=0.025eV and ΔV=-0.27(Å)3 . ΔE is nearly equal to the difference between the average bond energy of the other type I bonds and the average bond energy of 1551 bonds (characterizing the icosahedronlike local structure); ΔV could be explained as the average volume occupied by one atom in icosahedra minus that occupied by one atom in other structures. With the obtained ΔE and ΔV , it is satisfactorily explained that the density of liquid Al displays a much weaker nonlinear dependence on temperature under lower pressures. So it is demonstrated that the behavior of liquid Al can be well described by the two-order-parameter model.

A Study of Oceans and Atmospheric Interactions Associated with Tropical Cyclone Activity using Earth Observing Technology

NASA Astrophysics Data System (ADS)

Abdullah, Warith; Reddy, Remata

From October 22nd to 30th, 2012 Hurricane Sandy was a huge storm of many abnormalities causing an estimated 50 billion dollars in damage. Tropical storm development states systems’ energy as product of warm sea surface temperatures (SST’s) and tropical cyclone heat potential (TCHP). Advances in Earth Observing (EO) technology, remote sensing and proxy remote sensing have allowed for accurate measurements of SST and TCHP information. In this study, we investigated rapid intensification of Sandy through EO applications for precipitable water vapor (PWAT), SST’s and TCHP during the period of October 27th. These data were obtained from NASA and NOAA satellites and NOAA National Buoy data center (NDBC). The Sensible Heat (Qs) fluxes were computed to determine available energy resulting from ocean-atmosphere interface. Buoy 41010, 120 NM east of Cape Canaveral at 0850 UTC measured 22.3 °C atmospheric temperatures and 27 °C SST, an interface of 4.7 °C. Sensible heat equation computed fluxes of 43.7 W/m2 at 982.0 mb central pressure. Sandy formed as late-season storm and near-surface air temperatures averaged > 21 °C according to NOAA/ESRL NCEP/NCAR reanalysis at 1000 mb and GOES 13 (EAST) geostationary water vapor imagery shows approaching cold front during October 27th. Sandy encountered massive dry air intrusion to S, SE and E quadrants of storm while travelling up U.S east coast but experienced no weakening. Cool, dry air intrusion was considered for PWAT investigation from closest sounding station during Oct. 27th 0900 - 2100 UTC at Charleston, SC station 72208. Measured PWAT totaled 42.97 mm, indicating large energy potential supply to the storm. The Gulf Stream was observed using NASA Short-term Prediction Research and Transition Center (SPoRT) MODIS SST analysis. The results show 5 °C warmer above average than surrounding cooler water, with > 25 °C water extent approximately 400 NM east of Chesapeake Bay and eddies > 26 °C. Results from sensible heat computations for atmospheric interface suggests unusual warmth associated with Gulf Stream current, such that it provided Sandy with enough kinetic energy to intensify at high latitude. The study further suggests that energy gained from Caribbean TCHP and Gulf Stream SST’s were largely retained by Sandy upon losing tropical-cyclone characteristics and merging with strong cold front and polar jet stream. Storms of Sandy’s magnitude and unusual source of energy resulting from Gulf Stream may indicate a building average for tropical cyclone development and intensity for North Atlantic, particularly as the GOM waters continue to warm on seasonal averages.

Assessing Potential Energy Savings in Household Travel: Methodological and Empirical Considerations of Vehicle Capability Constraints and Multi-day Activity Patterns

NASA Astrophysics Data System (ADS)

Bolon, Kevin M.

The lack of multi-day data for household travel and vehicle capability requirements is an impediment to evaluations of energy savings strategies, since (1) travel requirements vary from day-to-day, and (2) energy-saving transportation options often have reduced capability. This work demonstrates a survey methodology and modeling system for evaluating the energy-savings potential of household travel, considering multi-day travel requirements and capability constraints imposed by the available transportation resources. A stochastic scheduling model is introduced---the multi-day Household Activity Schedule Estimator (mPHASE)---which generates synthetic daily schedules based on "fuzzy" descriptions of activity characteristics using a finite-element representation of activity flexibility, coordination among household members, and scheduling conflict resolution. Results of a thirty-household pilot study are presented in which responses to an interactive computer assisted personal interview were used as inputs to the mPHASE model in order to illustrate the feasibility of generating complex, realistic multi-day household schedules. Study vehicles were equipped with digital cameras and GPS data acquisition equipment to validate the model results. The synthetically generated schedules captured an average of 60 percent of household travel distance, and exhibited many of the characteristics of complex household travel, including day-to-day travel variation, and schedule coordination among household members. Future advances in the methodology may improve the model results, such as encouraging more detailed and accurate responses by providing a selection of generated schedules during the interview. Finally, the Constraints-based Transportation Resource Assignment Model (CTRAM) is introduced. Using an enumerative optimization approach, CTRAM determines the energy-minimizing vehicle-to-trip assignment decisions, considering trip schedules, occupancy, and vehicle capability. Designed to accept either actual or synthetic schedules, results of an application of the optimization model to the 2001 and 2009 National Household Travel Survey data show that U.S. households can reduce energy use by 10 percent, on average, by modifying the assignment of existing vehicles to trips. Households in 2009 show a higher tendency to assign vehicles optimally than in 2001, and multi-vehicle households with diverse fleets have greater savings potential, indicating that fleet modification strategies may be effective, particularly under higher energy price conditions.

Complex trajectories in a classical periodic potential

NASA Astrophysics Data System (ADS)

Anderson, Alexander G.; Bender, Carl M.

2012-11-01

This paper examines the complex trajectories of a classical particle in the potential V(x) = -cos (x). Almost all the trajectories describe a particle that hops from one well to another in an erratic fashion. However, it is shown analytically that there are two special classes of trajectories x(t) determined only by the energy of the particle and not by the initial position of the particle. The first class consists of periodic trajectories; that is, trajectories that return to their initial position x(0) after some real time T. The second class consists of trajectories for which there exists a real time T such that x(t + T) = x(t) ± 2π. These two classes of classical trajectories are analogous to valence and conduction bands in quantum mechanics, where the quantum particle either remains localized or else tunnels resonantly (conducts) through a crystal lattice. These two special types of trajectories are associated with sets of energies of measure 0. For other energies, it is shown that for long times the average velocity of the particle becomes a fractal-like function of energy.

Effect of track structure and radioprotectors on the induction of oncogenic transformation in murine fibroblasts by heavy ions

NASA Technical Reports Server (NTRS)

Miller, R. C.; Martin, S. G.; Hanson, W. R.; Marino, S. A.; Hall, E. J.; Wachholz, B. W. (Principal Investigator)

1998-01-01

The oncogenic potential of high-energy 56Fe particles (1 GeV/nucleon) accelerated with the Alternating Gradient Synchrotron at the Brookhaven National Laboratory was examined utilizing the mouse C3H 10T1/2 cell model. The dose-averaged LET for high-energy 56Fe is estimated to be 143 keV/micrometer with the exposure conditions used in this study. For 56Fe ions, the maximum relative biological effectiveness (RBEmax) values for cell survival and oncogenic transformation were 7.71 and 16.5 respectively. Compared to 150 keV/micrometer 4He nuclei, high-energy 56Fe nuclei were significantly less effective in cell killing and oncogenic induction. The prostaglandin E1 analog misoprostol, an effective oncoprotector of C3H 10T1/2 cells exposed to X rays, was evaluated for its potential as a radioprotector of oncogenic transformation with high-energy 56Fe. Exposure of cells to misoprostol did not alter 56Fe cytotoxicity or the rate of 56Fe-induced oncogenic transformation.

Metadynamics convergence law in a multidimensional system

NASA Astrophysics Data System (ADS)

Crespo, Yanier; Marinelli, Fabrizio; Pietrucci, Fabio; Laio, Alessandro

2010-05-01

Metadynamics is a powerful sampling technique that uses a nonequilibrium history-dependent process to reconstruct the free-energy surface as a function of the relevant collective variables s . In Bussi [Phys. Rev. Lett. 96, 090601 (2006)] it is proved that, in a Langevin process, metadynamics provides an unbiased estimate of the free energy F(s) . We here study the convergence properties of this approach in a multidimensional system, with a Hamiltonian depending on several variables. Specifically, we show that in a Monte Carlo metadynamics simulation of an Ising model the time average of the history-dependent potential converge to F(s) with the same law of an umbrella sampling performed in optimal conditions (i.e., with a bias exactly equal to the negative of the free energy). Remarkably, after a short transient, the error becomes approximately independent on the filling speed, showing that even in out-of-equilibrium conditions metadynamics allows recovering an accurate estimate of F(s) . These results have been obtained introducing a functional form of the history-dependent potential that avoids the onset of systematic errors near the boundaries of the free-energy landscape.

Metadynamics convergence law in a multidimensional system.

PubMed

Crespo, Yanier; Marinelli, Fabrizio; Pietrucci, Fabio; Laio, Alessandro

2010-05-01

Metadynamics is a powerful sampling technique that uses a nonequilibrium history-dependent process to reconstruct the free-energy surface as a function of the relevant collective variables s . In Bussi [Phys. Rev. Lett. 96, 090601 (2006)] it is proved that, in a Langevin process, metadynamics provides an unbiased estimate of the free energy F(s) . We here study the convergence properties of this approach in a multidimensional system, with a Hamiltonian depending on several variables. Specifically, we show that in a Monte Carlo metadynamics simulation of an Ising model the time average of the history-dependent potential converge to F(s) with the same law of an umbrella sampling performed in optimal conditions (i.e., with a bias exactly equal to the negative of the free energy). Remarkably, after a short transient, the error becomes approximately independent on the filling speed, showing that even in out-of-equilibrium conditions metadynamics allows recovering an accurate estimate of F(s) . These results have been obtained introducing a functional form of the history-dependent potential that avoids the onset of systematic errors near the boundaries of the free-energy landscape.

16 CFR 305.10 - Ranges of comparability on the required labels.

Code of Federal Regulations, 2013 CFR

2013-01-01

... modification under this section need not be relabeled. (b) Representative average unit energy cost. The Representative Average Unit Energy Cost to be used on labels as required by § 305.11 and disclosures as required... Representative Average Unit Energy Cost figures every five years beginning in 2012 in the Federal Register. When...

16 CFR 305.10 - Ranges of comparability on the required labels.

Code of Federal Regulations, 2010 CFR

2010-01-01

... modification under this section need not be relabeled. (b) Representative average unit energy cost. The Representative Average Unit Energy Cost to be used on labels as required by § 305.11 and disclosures as required... Representative Average Unit Energy Cost figures every five years beginning in 2012 in the Federal Register. When...

16 CFR 305.10 - Ranges of comparability on the required labels.

Code of Federal Regulations, 2012 CFR

2012-01-01

... modification under this section need not be relabeled. (b) Representative average unit energy cost. The Representative Average Unit Energy Cost to be used on labels as required by § 305.11 and disclosures as required... Representative Average Unit Energy Cost figures every five years beginning in 2012 in the Federal Register. When...

16 CFR 305.10 - Ranges of comparability on the required labels.

Code of Federal Regulations, 2011 CFR

2011-01-01

... modification under this section need not be relabeled. (b) Representative average unit energy cost. The Representative Average Unit Energy Cost to be used on labels as required by § 305.11 and disclosures as required... Representative Average Unit Energy Cost figures every five years beginning in 2012 in the Federal Register. When...

Evapotranspiration and microclimate at a low-level radioactive-waste disposal site in northwestern Illinois

USGS Publications Warehouse

Healy, R.W.; DeVries, M.P.; Sturrock, Alex M.

1989-01-01

From July 1982 through June 1984, a study was made of the evapotranspiration and microclimate at a low-level radioactive-waste disposal site near Sheffield, Bureau County, Illinois. Vegetation at the site consists of mixed pasture grasses, primarily awnless brome (Bromus inermis) and red clover (Trifoleum pratense). Three methods were used to estimate evapotranspiration: (1) an energy budget with the Bowen ratio, (2) an aerodynamic profile, and (3) a soil-based water budget. For the aerodynamic-profile method, sensible-heat flux was estimated by a profile equation and evapotranspiration was then calculated as the residual in the energy-balance equation. Estimates by the energy-budget and aerodynamic-profile methods were computed from hourly data and then summed by days and months. Yearly estimates (for March through November) by these methods were in close agreement: 648 and 626 millimeters, respectively. Daily estimates reach a maximum of about 6 millimeters. The water-budget method produced only monthly estimates based on weekly or biweekly soil-moisture content measurements. The yearly evapotranspiration estimated by this method (which actually included only the months of April through October) was 655 millimeters. The March-through-November average for the three methods of 657 millimeters was equivalent to 70 percent of total precipitation. Continuous measurements were made of incoming and reflected shortwave radiation, incoming and emitted longwave radiation, net radiation, soil-heat flux, soil temperature, horizontal windspeed, and wet- and dry-bulb air temperature. Windspeed and air temperature were measured at heights of 0.5 and 2.0 meters (and also at 1.0 meter after September 1983). Soilmoisture content of the soil zone was measured with a gamma-attenuation gage. Annual precipitation (938 millimeters) and average temperature (10.8 degrees Celsius) at the Sheffield site were virtually identical to long-term averages from nearby National Weather Service stations. Solar radiation averaged 65 percent of that normally expected under clear skies. Net radiation averaged 70.1 watts per square meter and was highest in July and negative during some winter months. Wind direction varied but was predominately south-southeasterly. Wind speed at the 2-meter height averaged 3.5 meters per second and was slightly higher in winter months than the rest of the year. The amount of water stored within the soil zone was greatest in early spring and least in late summer. Seasonal and diurnal trends of evapotranspiration rates mirrored those of net radiation; July was usually the month with the highest evapotranspiration rate. The ratio of sensible- to latentheat fluxes (commonly called the Bowen ratio) for the 2-year study period was 0.38, as averaged from the three methods. Monthly Bowen ratios fluctuated somewhat but averaged about 0.35 for late spring through summer. In fall, the ratio declined to zero or to slightly negative values. When the ratio was negative, the latent-heat flux was slightly greater than the net radiation because of additional energy supplied by' the cooling soil and air. Evapotranspiration calculated by the three methods averaged 75 percent of potential evapotranspiration, as estimated by the Penman equation. There was no apparent seasonal trend in the relation between actual and potential evapotranspiration rates.

Monitoring and Characterization of Miscellaneous Electrical Loads in a Large Retail Environment

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

Gentile-Polese, L.; Frank, S.; Sheppy, M.

2014-02-01

Buildings account for 40% of primary energy consumption in the United States (residential 22%; commercial 18%). Most (70% residential and 79% commercial) is used as electricity. Thus, almost 30% of U.S. primary energy is used to provide electricity to buildings. Plug loads play an increasingly critical role in reducing energy use in new buildings (because of their increased efficiency requirements), and in existing buildings (as a significant energy savings opportunity). If all installed commercial building miscellaneous electrical loads (CMELs) were replaced with energy-efficient equipment, a potential annual energy saving of 175 TWh, or 35% of the 504 TWh annual energymore » use devoted to MELs, could be achieved. This energy saving is equivalent to the annual energy production of 14 average-sized nuclear power plants. To meet DOE's long-term goals of reducing commercial building energy use and carbon emissions, the energy efficiency community must better understand the components and drivers of CMEL energy use, and develop effective reduction strategies. These goals can be facilitated through improved data collection and monitoring methodologies, and evaluation of CMELs energy-saving techniques.« less

On adiabatic pair potentials of highly charged colloid particles

NASA Astrophysics Data System (ADS)

Sogami, Ikuo S.

2018-03-01

Generalizing the Debye-Hückel formalism, we develop a new mean field theory for adiabatic pair potentials of highly charged particles in colloid dispersions. The unoccupied volume and the osmotic pressure are the key concepts to describe the chemical and thermodynamical equilibrium of the gas of small ions in the outside region of all of the colloid particles. To define the proper thermodynamic quantities, it is postulated to take an ensemble averaging with respect to the particle configurations in the integrals for their densities consisting of the electric potential satisfying a set of equations that are derived by linearizing the Poisson-Boltzmann equation. With the Fourier integral representation of the electric potential, we calculate first the internal electric energy of the system from which the Helmholtz free energy is obtained through the Legendre transformation. Then, the Gibbs free energy is calculated using both ways of the Legendre transformation with respect to the unoccupied volume and the summation of chemical potentials. The thermodynamic functions provide three types of pair potentials, all of which are inversely proportional to the fraction of the unoccupied volume. At the limit when the fraction factor reduces to unity, the Helmholtz pair potential turns exactly into the well known Derjaguin-Landau-Verwey-Overbeek repulsive potential. The Gibbs pair potential possessing a medium-range strong repulsive part and a long-range weak attractive tail can explain the Schulze-Hardy rule for coagulation in combination with the van der Waals-London potential and describes a rich variety of phenomena of phase transitions observed in the dilute dispersions of highly charged particles.

Thermodynamic integration of the free energy along a reaction coordinate in Cartesian coordinates

NASA Astrophysics Data System (ADS)

den Otter, W. K.

2000-05-01

A generalized formulation of the thermodynamic integration (TI) method for calculating the free energy along a reaction coordinate is derived. Molecular dynamics simulations with a constrained reaction coordinate are used to sample conformations. These are then projected onto conformations with a higher value of the reaction coordinate by means of a vector field. The accompanying change in potential energy plus the divergence of the vector field constitute the derivative of the free energy. Any vector field meeting some simple requirements can be used as the basis of this TI expression. Two classes of vector fields are of particular interest here. The first recovers the conventional TI expression, with its cumbersome dependence on a full set of generalized coordinates. As the free energy is a function of the reaction coordinate only, it should in principle be possible to derive an expression depending exclusively on the definition of the reaction coordinate. This objective is met by the second class of vector fields to be discussed. The potential of mean constraint force (PMCF) method, after averaging over the unconstrained momenta, falls in this second class. The new method is illustrated by calculations on the isomerization of n-butane, and is compared with existing methods.

SU-E-T-379: Evaluation of An EPID-Based System for Daily Dosimetry Check by Comparison with a Widely-Used Ionization Chamber-Based Device

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

McDonald, D; Koch, N; Peng, J

2015-06-15

Purpose: To examine the feasibility of using Varian’s EPID-based Machine Performance Check (MPC) system to track daily machine output through comparison with Sun Nuclear’s DailyQA3 (DQA) device. Methods: Daily machine outputs for two photon energies (6 and 16MV) and five electron energies (6, 9, 12, 16, 20MeV) were measured for one month using both MPC and DQA. Baselines measurements for MPC were taken at the start of the measurement series, while DQA baselines were set at an earlier date. In order to make absolute comparisons with MPC, all DQA readings were referenced to the average of the first three DQAmore » readings in that series, minimizing systematic differences between the measurement techniques due to baseline differences. In addition to daily output measurements, weekly averages were also calculated and compared. Finally, the electron energy dependence of each measurement technique was examined by comparing energy-specific measurements to the average electron output of all energies each day. Results: For 6 and 16MV photons, the largest absolute percent differences between MPC and DQA were 0.60% and 0.73%, respectively. Weekly averages were within 0.17% and 0.23%, respectively. For all five electron energies, the greatest absolute percent differences between MPC and DQA for each energy ranged from 0.49%–0.83%. Weekly averages ranged from 0.07%–0.28%. DQA energy-specific electron readings matched the average electron output within 0.29% for all days and all energies. MPC energy-specific readings matched the average within 0.21% for 9–20MeV. However, 6MeV showed a larger distribution about the average with four days showing a difference greater than 0.30% and a maximum difference of 0.51%. Conclusion: MPC output measurements correlated well with the widely-used DQA3 for most beam energies, making it a reliable back up technique for daily output monitoring. However, MPC may display an energy dependence for lower electrons energies, requiring additional investigation.« less

A Mobile Phone Based Method to Assess Energy and Food Intake in Young Children: A Validation Study against the Doubly Labelled Water Method and 24 h Dietary Recalls

PubMed Central

Delisle Nyström, Christine; Forsum, Elisabet; Henriksson, Hanna; Trolle-Lagerros, Ylva; Larsson, Christel; Maddison, Ralph; Timpka, Toomas; Löf, Marie

2016-01-01

Mobile phones are becoming important instruments for assessing diet and energy intake. We developed the Tool for Energy Balance in Children (TECH), which uses a mobile phone to assess energy and food intake in pre-school children. The aims of this study were: (a) to compare energy intake (EI) using TECH with total energy expenditure (TEE) measured via doubly labelled water (DLW); and (b) to compare intakes of fruits, vegetables, fruit juice, sweetened beverages, candy, ice cream, and bakery products using TECH with intakes acquired by 24 h dietary recalls. Participants were 39 healthy, Swedish children (5.5 ± 0.5 years) within the ongoing Mobile-based Intervention Intended to Stop Obesity in Preschoolers (MINISTOP) obesity prevention trial. Energy and food intakes were assessed during four days using TECH and 24 h telephone dietary recalls. Mean EI (TECH) was not statistically different from TEE (DLW) (5820 ± 820 kJ/24 h and 6040 ± 680kJ/24 h, respectively). No significant differences in the average food intakes using TECH and 24 h dietary recalls were found. All food intakes were correlated between TECH and the 24 h dietary recalls (ρ = 0.665–0.896, p < 0.001). In conclusion, TECH accurately estimated the average intakes of energy and selected foods and thus has the potential to be a useful tool for dietary studies in pre-school children, for example obesity prevention trials. PMID:26784226

Polar cap potential saturation during the Bastille Day storm event using global MHD simulation

NASA Astrophysics Data System (ADS)

Kubota, Y.; Nagatsuma, T.; Den, M.; Tanaka, T.; Fujita, S.

2017-04-01

We investigated the temporal variations and saturation of the cross polar cap potential (CPCP) in the Bastille Day storm event (15 July 2000) by global magnetohydrodynamics (MHD) simulation. The CPCP is considered to depend on the electric field and dynamic pressure of the solar wind as well as on the ionospheric conductivity. Previous studies considered only the ionospheric conductivity due to solar extreme ultraviolet (EUV) variations. In this paper, we dealt with the changes in the CPCP attributable to auroral conductivity variations caused by pressure enhancement in the inner magnetosphere owing to energy injection from the magnetosphere because the energy injection is considerably enhanced in a severe magnetic storm event. Our simulation reveals that the auroral conductivity enhancement is significant for the CPCP variation in a severe magnetic storm event. The numerical results concerning the Bastille Day event show that the ionospheric conductivity averaged over the auroral oval is enhanced up to 18 mho in the case of Bz of less than -59 nT. On the other hand, the average conductivity without the auroral effect is almost 6 mho throughout the entire period. Resultantly, the saturated CPCP is about 240 kV in the former and 704 kV in the latter when Bz is -59 nT. This result indicates that the CPCP variations could be correctly reproduced when the time variation of auroral conductivity caused by pressure enhancement due to the energy injection from the magnetosphere is correctly considered in a severe magnetic storm event.

Comparative stereodynamics in molecule-atom and molecule-molecule rotational energy transfer: NO(A{sup 2}Σ{sup +}) + He and D{sub 2}

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

Luxford, Thomas F. M.; Sharples, Thomas R.; McKendrick, Kenneth G.

2016-08-28

We present a crossed molecular beam scattering study, using velocity-map ion-imaging detection, of state-to-state rotational energy transfer for NO(A{sup 2}Σ{sup +}) in collisions with the kinematically identical colliders He and D{sub 2}. We report differential cross sections and angle-resolved rotational angular momentum polarization moments for transfer of NO(A, v = 0, N = 0, j = 0.5) to NO(A, v = 0, N′ = 3, 5-12) in collisions with He and D{sub 2} at respective average collision energies of 670 cm{sup −1} and 663 cm{sup −1}. Quantum scattering calculations on a literature ab initio potential energy surface for NO(A)-He [J.more » Kłos et al., J. Chem. Phys. 129, 244303 (2008)] yield near-quantitative agreement with the experimental differential scattering cross sections and good agreement with the rotational polarization moments. This confirms that the Kłos et al. potential is accurate within the experimental collisional energy range. Comparison of the experimental results for NO(A) + D{sub 2} and He collisions provides information on the hitherto unknown NO(A)-D{sub 2} potential energy surface. The similarities in the measured scattering dynamics of NO(A) imply that the general form of the NO(A)-D{sub 2} potential must be similar to that calculated for NO(A)-He. A consistent trend for the rotational rainbow maximum in the differential cross sections for NO(A) + D{sub 2} to peak at more forward angles than those for NO(A) + He is consistent with the NO(A)-D{sub 2} potential being more anisotropic with respect to NO(A) orientation. No evidence is found in the experimental measurements for coincident rotational excitation of the D{sub 2}, consistent with the potential having low anisotropy with respect to D{sub 2}. The NO(A) + He polarization moments deviate systematically from the predictions of a hard-shell, kinematic-apse scattering model, with larger deviations as N′ increases, which we attribute to the shallow gradient of the anisotropic repulsive NO(A)-He potential energy surface.« less

Measurement of Anisotropic Particle Interactions with Nonuniform ac Electric Fields.

PubMed

Rupp, Bradley; Torres-Díaz, Isaac; Hua, Xiaoqing; Bevan, Michael A

2018-02-20

Optical microscopy measurements are reported for single anisotropic polymer particles interacting with nonuniform ac electric fields. The present study is limited to conditions where gravity confines particles with their long axis parallel to the substrate such that particles can be treated using quasi-2D analysis. Field parameters are investigated that result in particles residing at either electric field maxima or minima and with long axes oriented either parallel or perpendicular to the electric field direction. By nonintrusively observing thermally sampled positions and orientations at different field frequencies and amplitudes, a Boltzmann inversion of the time-averaged probability of states yields kT-scale energy landscapes (including dipole-field, particle-substrate, and gravitational potentials). The measured energy landscapes show agreement with theoretical potentials using particle conductivity as the sole adjustable material property. Understanding anisotropic particle-field energy landscapes vs field parameters enables quantitative control of local forces and torques on single anisotropic particles to manipulate their position and orientation within nonuniform fields.

Environmental impacts of milk powder and butter manufactured in the Republic of Ireland.

PubMed

Finnegan, William; Goggins, Jamie; Clifford, Eoghan; Zhan, Xinmin

2017-02-01

The abolition of the milk quota system that was in place in Europe was abolished in 2015, which instigated an immediate increase in milk production in many European countries. This increase will aid in addressing the world's ever growing demand for food, but will incur increased stresses on the environmental impact and sustainability of the dairy industry. In this study, an environmental life cycle assessment was performed in order to estimate the environmental impacts associated with the manufacture of milk powder and butter in the Republic of Ireland. A farm gate to processing factory gate analysis, which includes raw milk transportation, processing into each product and packaging, is assessed in this study. Operational data was obtained from 5 dairy processing factories that produce milk powder (4 of which also produce butter). Results for each environmental impact category are presented per kilogram of product. Energy consumption (raw milk transportation and on-site electrical and thermal energy usage) contributes, on average, 89% and 78% of the total global warming potential, for milk powder and butter respectively, for the life cycle stages assessed. Similarly, energy consumption contributes, on average, 86% and 96% of the total terrestrial acidification potential for milk powder and butter respectively, for these life cycle stages. Emissions associated with wastewater treatment contribute approximately 10% and 40% to the total freshwater eutrophication potential and marine eutrophication potential, respectively, for both milk powder and butter production. In addition, packaging materials also has a significant contribution to these environmental impact categories for butter production. Results were also presented for three milk powder products being manufactured by the factories surveyed: skim milk powder, whole milk powder and full fat milk powder. The analysis presented in this paper helps to identify opportunities to reduce the environmental impacts associated with post-farm processing of milk powder and butter. Copyright © 2016 Elsevier B.V. All rights reserved.

Offshore Wind Resource, Cost, and Economic Potential in the State of Maine

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

Musial, Walter D.

This report provides information for decision-makers about floating offshore wind technologies in the state of Maine. It summarizes research efforts performed at the National Renewable Energy Laboratory between 2015 and 2017 to analyze the resource potential, cost of offshore wind, and economic potential of offshore wind from four primary reports: Musial et al. (2016); Beiter et al. (2016, 2017); and Mone et al. (unpublished). From Musial et al. (2016), Maine's technical offshore wind resource potential ranked seventh in the nation overall with more than 411 terawatt-hours/year of offshore resource generating potential. Although 90% of this wind resource is greater thanmore » 9.0-meters-per-second average velocity, most of the resource is over deep water, where floating wind technology is needed. Levelized cost of energy and levelized avoided cost of energy were computed to estimate the unsubsidized 'economic potential' for Maine in the year 2027 (Beiter et al. 2016, 2017). The studies found that Maine may have 65 gigawatts of economic potential by 2027, the highest of any U.S. state. Bottom-line costs for the Aqua Ventus project, which is part of the U.S. Department of Energy's Advanced Technology Demonstration project, were released from a proprietary report written by NREL in 2016 for the University of Maine (Mone et al. unpublished). The report findings were that economies of scale and new technology advancements lowered the cost from $300/megawatt-hour (MWh) for the two-turbine 12-megawatt (MW) Aqua Ventus 1 project, to $126/MWh for the commercial-scale, 498-MW Aqua Ventus-2 project. Further cost reductions to $77/MWh were found when new technology advancements were applied for the 1,000-MW Aqua Ventus-3 project in 2030. No new analysis was conducted for this report.« less

Plasma expansion dynamics physics: An understanding on ion energy reduction process

NASA Astrophysics Data System (ADS)

Ruzic, David; Srivastava, Shailendra; Thompson, Keith; Spencer, Joshua; Sporre, John

2007-11-01

This paper studies the expanding plasma dynamics of ions produced from a 5J Z-pinch xenon light source used for EUV lithography. Ion energy reduction is essential for the successful implementation of this technology. To aid this investigation, ion energy from a z-pinch DPP plasma source is measured using an ion energy analyzer and effect of introducing a small percentage of low Z material on the ion energy and flux is investigated. Presence of low mass such as H2 or N2, shows a considerable reduction in total flux and in average energy. For example, Xe^+ ion flux at 5 keV are recorded as 425 ± 42 ions/cm^2.eV.pulse at 157 cm and reduced to 125 ± 12 ions/cm^2.eV.pulse when using the low mass into the system at same energy. It is also noticed that such a combination leads to decrease in sputtering without changing the EUV output. Study of the possible mechanism supporting the experimental results is numerically calculated. This computational work indicates that the observed high energies of ions are probably resulting from coulomb explosion initiated by pinch instability. It is postulated that the electrons leave first setting up an electrostatic potential which accelerates the ions. The addition of small mass actually screens the potential and decorates the ions.

Analytic computation of average energy of neutrons inducing fission

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

Clark, Alexander Rich

2016-08-12

The objective of this report is to describe how I analytically computed the average energy of neutrons that induce fission in the bare BeRP ball. The motivation of this report is to resolve a discrepancy between the average energy computed via the FMULT and F4/FM cards in MCNP6 by comparison to the analytic results.

Bulk properties of the medium produced in relativistic heavy-ion collisions from the beam energy scan program

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

Adamczyk, L.; Adkins, J. K.; Agakishiev, G.

We present measurements of bulk properties of the matter produced in Au+Au collisions atmore » $$\\sqrt{s}$$$_ {NN}$$= 7.7, 11.5, 19.6, 27, and 39 GeV using identified hadrons (π ±, K ±, p, and $$\\bar{p}$$) from the STAR experiment in the Beam Energy Scan (BES) Program at the Relativistic Heavy Ion Collider (RHIC). Midrapidity (| y | < 0.1) results for multiplicity densities dN / dy, average transverse momenta $$\\langle$$pT$$\\rangle$$, and particle ratios are presented. The chemical and kinetic freeze-out dynamics at these energies are discussed and presented as a function of collision centrality and energy. These results constitute the systematic measurements of bulk properties of matter formed in heavy-ion collisions over a broad range of energy (or baryon chemical potential) at RHIC.« less

Committor of elementary reactions on multistate systems

NASA Astrophysics Data System (ADS)

Király, Péter; Kiss, Dóra Judit; Tóth, Gergely

2018-04-01

In our study, we extend the committor concept on multi-minima systems, where more than one reaction may proceed, but the feasible data evaluation needs the projection onto partial reactions. The elementary reaction committor and the corresponding probability density of the reactive trajectories are defined and calculated on a three-hole two-dimensional model system explored by single-particle Langevin dynamics. We propose a method to visualize more elementary reaction committor functions or probability densities of reactive trajectories on a single plot that helps to identify the most important reaction channels and the nonreactive domains simultaneously. We suggest a weighting for the energy-committor plots that correctly shows the limits of both the minimal energy path and the average energy concepts. The methods also performed well on the analysis of molecular dynamics trajectories of 2-chlorobutane, where an elementary reaction committor, the probability densities, the potential energy/committor, and the free-energy/committor curves are presented.

Bulk properties of the medium produced in relativistic heavy-ion collisions from the beam energy scan program

DOE PAGES

Adamczyk, L.; Adkins, J. K.; Agakishiev, G.; ...

2017-10-13

We present measurements of bulk properties of the matter produced in Au+Au collisions atmore » $$\\sqrt{s}$$$_ {NN}$$= 7.7, 11.5, 19.6, 27, and 39 GeV using identified hadrons (π ±, K ±, p, and $$\\bar{p}$$) from the STAR experiment in the Beam Energy Scan (BES) Program at the Relativistic Heavy Ion Collider (RHIC). Midrapidity (| y | < 0.1) results for multiplicity densities dN / dy, average transverse momenta $$\\langle$$pT$$\\rangle$$, and particle ratios are presented. The chemical and kinetic freeze-out dynamics at these energies are discussed and presented as a function of collision centrality and energy. These results constitute the systematic measurements of bulk properties of matter formed in heavy-ion collisions over a broad range of energy (or baryon chemical potential) at RHIC.« less

Comparative Studies of the Pyrolytic and Kinetic Characteristics of Maize Straw and the Seaweed Ulva pertusa

PubMed Central

Ye, Naihao; Li, Demao; Chen, Limei; Zhang, Xiaowen; Xu, Dong

2010-01-01

Seaweed has attracted considerable attention as a potential biofuel feedstock. The pyrolytic and kinetic characteristics of maize straw and the seaweed Ulva pertusa were studied and compared using heating rates of 10, 30 and 50°C min−1 under an inert atmosphere. The activation energy, and pre-exponential factors were calculated by the Flynn-Wall-Ozawa (FWO), Kissinger-Akahira-Sunose (KAS) and Popescu methods. The kinetic mechanism was deduced by the Popescu method. The results indicate that there are three stages to the pyrolysis; dehydration, primary devolatilization and residual decomposition. There were significant differences in average activation energy, thermal stability, final residuals and reaction rates between the two materials. The primary devolatilization stage of U. pertusa can be described by the Avramic-Erofeev equation (n = 3), whereas that of maize straw can be described by the Mampel Power Law (n = 2). The average activation energy of maize straw and U. pertusa were 153.0 and 148.7 KJ mol−1, respectively. The pyrolysis process of U.pertusa would be easier than maize straw. And co-firing of the two biomass may be require less external heat input and improve process stability. There were minor kinetic compensation effects between the pre-exponential factors and the activation energy. PMID:20844751

Solid oxide fuel cell systems for residential micro-combined heat and power in the UK: Key economic drivers

NASA Astrophysics Data System (ADS)

Hawkes, Adam; Leach, Matthew

The ability of combined heat and power (CHP) to meet residential heat and power demands efficiently offers potentially significant financial and environmental advantages over centralised power generation and heat-provision through natural-gas fired boilers. A solid oxide fuel cell (SOFC) can operate at high overall efficiencies (heat and power) of 80-90%, offering an improvement over centralised generation, which is often unable to utilise waste heat. This paper applies an equivalent annual cost (EAC) minimisation model to a residential solid oxide fuel cell CHP system to determine what the driving factors are behind investment in this technology. We explore the performance of a hypothetical SOFC system—representing expectations of near to medium term technology development—under present UK market conditions. We find that households with small to average energy demands do not benefit from installation of a SOFC micro-CHP system, but larger energy demands do benefit under these conditions. However, this result is sensitive to a number of factors including stack capital cost, energy import and export prices, and plant lifetime. The results for small and average dwellings are shown to reverse under an observed change in energy import prices, an increase in electricity export price, a decrease in stack capital costs, or an improvement in stack lifetime.

Wastewater treatment high rate algal ponds (WWT HRAP) for low-cost biofuel production.

PubMed

Mehrabadi, Abbas; Craggs, Rupert; Farid, Mohammed M

2015-05-01

Growing energy demand and water consumption have increased concerns about energy security and efficient wastewater treatment and reuse. Wastewater treatment high rate algal ponds (WWT HRAPs) are a promising technology that could help solve these challenges concurrently where climate is favorable. WWT HRAPs have great potential for biofuel production as a by-product of WWT, since the costs of algal cultivation and harvest for biofuel production are covered by the wastewater treatment function. Generally, 800-1400 GJ/ha/year energy (average biomass energy content: 20 GJ/ton; HRAP biomass productivity: 40-70 tons/ha/year) can be produced in the form of harvestable biomass from WWT HRAP which can be used to provide community-level energy supply. In this paper the benefits of WWT HRAPs are compared with conventional mass algal culture systems. Moreover, parameters to effectively increase algal energy content and overall energy production from WWT HRAP are discussed including selection of appropriate algal biomass biofuel conversion pathways. Copyright © 2014 Elsevier Ltd. All rights reserved.

Future energy system challenges for Africa: Insights from Integrated Assessment Models

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

Lucas, Paul; Nielsen, Jens; Calvin, Katherine V.

Although Africa’s share in the global energy system is only small today, the ongoing population growth and economic development imply that this can change significantly. In this paper, we discuss long-term energy developments in Africa using the results of the LIMITS model inter-comparison study. The analysis focusses on the position of Africa in the wider global energy system and climate mitigation. The results show a considerable spread in model outcomes. Without specific climate policy, Africa’s share in global CO 2 emissions is projected to increase from around 1-4% today to 3-23% by 2100. In all models, emissions only start tomore » become really significant on a global scale after 2050. Furthermore, by 2030 still around 50% of total household energy use is supplied through traditional bio-energy, in contrast to existing ambitions from international organisations to provide access to modern energy for all. After 2050, the energy mix is projected to converge towards a global average energy mix with high shares of fossil fuels and electricity use. Finally, although the continent is now a large net exporter of oil and gas, towards 2050 it most likely needs most of its resources to meet its rapidly growing domestic demand. With respect to climate policy, the rapid expansion of the industrial and the power sector also create large mitigation potential and thereby the possibility to align the investment peak in the energy system with climate policy and potential revenues from international carbon trading.« less

Solvent Reaction Field Potential inside an Uncharged Globular Protein: A Bridge between Implicit and Explicit Solvent Models?

PubMed Central

Baker, Nathan A.; McCammon, J. Andrew

2008-01-01

The solvent reaction field potential of an uncharged protein immersed in Simple Point Charge/Extended (SPC/E) explicit solvent was computed over a series of molecular dynamics trajectories, intotal 1560 ns of simulation time. A finite, positive potential of 13 to 24 kbTec−1 (where T = 300K), dependent on the geometry of the solvent-accessible surface, was observed inside the biomolecule. The primary contribution to this potential arose from a layer of positive charge density 1.0 Å from the solute surface, on average 0.008 ec/Å3, which we found to be the product of a highly ordered first solvation shell. Significant second solvation shell effects, including additional layers of charge density and a slight decrease in the short-range solvent-solvent interaction strength, were also observed. The impact of these findings on implicit solvent models was assessed by running similar explicit-solvent simulations on the fully charged protein system. When the energy due to the solvent reaction field in the uncharged system is accounted for, correlation between per-atom electrostatic energies for the explicit solvent model and a simple implicit (Poisson) calculation is 0.97, and correlation between per-atom energies for the explicit solvent model and a previously published, optimized Poisson model is 0.99. PMID:17949217

Solvent reaction field potential inside an uncharged globular protein: A bridge between implicit and explicit solvent models?

NASA Astrophysics Data System (ADS)

Cerutti, David S.; Baker, Nathan A.; McCammon, J. Andrew

2007-10-01

The solvent reaction field potential of an uncharged protein immersed in simple point charge/extended explicit solvent was computed over a series of molecular dynamics trajectories, in total 1560ns of simulation time. A finite, positive potential of 13-24 kbTec-1 (where T =300K), dependent on the geometry of the solvent-accessible surface, was observed inside the biomolecule. The primary contribution to this potential arose from a layer of positive charge density 1.0Å from the solute surface, on average 0.008ec/Å3, which we found to be the product of a highly ordered first solvation shell. Significant second solvation shell effects, including additional layers of charge density and a slight decrease in the short-range solvent-solvent interaction strength, were also observed. The impact of these findings on implicit solvent models was assessed by running similar explicit solvent simulations on the fully charged protein system. When the energy due to the solvent reaction field in the uncharged system is accounted for, correlation between per-atom electrostatic energies for the explicit solvent model and a simple implicit (Poisson) calculation is 0.97, and correlation between per-atom energies for the explicit solvent model and a previously published, optimized Poisson model is 0.99.

Permutation invariant polynomial neural network approach to fitting potential energy surfaces. II. Four-atom systems

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

Li, Jun; Jiang, Bin; Guo, Hua, E-mail: hguo@unm.edu

2013-11-28

A rigorous, general, and simple method to fit global and permutation invariant potential energy surfaces (PESs) using neural networks (NNs) is discussed. This so-called permutation invariant polynomial neural network (PIP-NN) method imposes permutation symmetry by using in its input a set of symmetry functions based on PIPs. For systems with more than three atoms, it is shown that the number of symmetry functions in the input vector needs to be larger than the number of internal coordinates in order to include both the primary and secondary invariant polynomials. This PIP-NN method is successfully demonstrated in three atom-triatomic reactive systems, resultingmore » in full-dimensional global PESs with average errors on the order of meV. These PESs are used in full-dimensional quantum dynamical calculations.« less

The migration mechanism of transition metal ions in LiNi 0.5 Mn 1.5O 4

DOE PAGES

Xu, Gui-Liang; Qin, Yan; Ren, Yang; ...

2015-05-12

The migration of transition metal ions in the oxygen framework was recently proposed to be responsible for the continuous loss of average working potential of high energy density layered–layered composite cathodes for lithium-ion batteries. The potential migration pathway in a model material, LiNi 0.5 Mn 1.5O 4 spinel, was investigated using in situ high-energy X-ray diffraction and in situ neutron diffraction during the solid state synthesis process. It was found that the migration of transition metal ions among octahedral sites is possible by using tetrahedral vacancies as intermediate sites. It was also suggested that the number of electrons in 3dmore » orbitals has a significant impact on their mobility in the hosting oxygen framework.« less

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.

The feasibility of replacing or upgrading utility distribution transformers during routine maintenance

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

Barnes, P.R.; Van Dyke, J.W; McConnell, B.W.

It is estimated that electric utilities use about 40 million distribution transformers in supplying electricity to customers in the United States. Although utility distribution transformers collectively have a high average efficiency, they account for approximately 61 billion kWh of the 229 billion kWh of energy lost annually in the delivery of electricity. Distribution transformers are being replaced over time by new, more efficient, lower-loss units during routine utility maintenance of power distribution systems. Maintenance is typically not performed on units in service. However, units removed from service with appreciable remaining life are often refurbished and returned to stock. Distribution transformersmore » may be removed from service for many reasons, including failure, over- or underloading, or line upgrades such as voltage changes or rerouting. When distribution transformers are removed from service, a decision must be made whether to dispose of the transformer and purchase a lower-loss replacement or to refurbish the transformer and return it to stock for future use. This report contains findings and recommendations on replacing utility distribution transformers during routine maintenance, which is required by section 124 of the Energy Policy Act of 1992. The objectives of the study are to evaluate the practicability, cost-effectiveness, and potential energy savings of replacing or upgrading existing transformers during routine utility maintenance and to develop recommendations on ways to achieve the potential energy savings. Using survey data obtained from utilities and analyses of the economics of refurbishment versus replacement of distribution transformers that are removed from service, it is found that on average utilities are implementing reasonable decisions on refurbishment versus replacement.« less

Micro-engineered first wall tungsten armor for high average power laser fusion energy systems

NASA Astrophysics Data System (ADS)

Sharafat, Shahram; Ghoniem, Nasr M.; Anderson, Michael; Williams, Brian; Blanchard, Jake; Snead, Lance; HAPL Team

2005-12-01

The high average power laser program is developing an inertial fusion energy demonstration power reactor with a solid first wall chamber. The first wall (FW) will be subject to high energy density radiation and high doses of high energy helium implantation. Tungsten has been identified as the candidate material for a FW armor. The fundamental concern is long term thermo-mechanical survivability of the armor against the effects of high temperature pulsed operation and exfoliation due to the retention of implanted helium. Even if a solid tungsten armor coating would survive the high temperature cyclic operation with minimal failure, the high helium implantation and retention would result in unacceptable material loss rates. Micro-engineered materials, such as castellated structures, plasma sprayed nano-porous coatings and refractory foams are suggested as a first wall armor material to address these fundamental concerns. A micro-engineered FW armor would have to be designed with specific geometric features that tolerate high cyclic heating loads and recycle most of the implanted helium without any significant failure. Micro-engineered materials are briefly reviewed. In particular, plasma-sprayed nano-porous tungsten and tungsten foams are assessed for their potential to accommodate inertial fusion specific loads. Tests show that nano-porous plasma spray coatings can be manufactured with high permeability to helium gas, while retaining relatively high thermal conductivities. Tungsten foams where shown to be able to overcome thermo-mechanical loads by cell rotation and deformation. Helium implantation tests have shown, that pulsed implantation and heating releases significant levels of implanted helium. Helium implantation and release from tungsten was modeled using an expanded kinetic rate theory, to include the effects of pulsed implantations and thermal cycles. Although, significant challenges remain micro-engineered materials are shown to constitute potential candidate FW armor materials.

SU-E-E-16: The Application of Texture Analysis for Differentiation of Central Cancer From Atelectasis

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

Gao, M; Fan, T; Duan, J

2015-06-15

Purpose: Prospectively assess the potential utility of texture analysis for differentiation of central cancer from atelectasis. Methods: 0 consecutive central lung cancer patients who were referred for CT imaging and PET-CT were enrolled. Radiotherapy doctor delineate the tumor and atelectasis according to the fusion imaging based on CT image and PET-CT image. The texture parameters (such as energy, correlation, sum average, difference average, difference entropy), were obtained respectively to quantitatively discriminate tumor and atelectasis based on gray level co-occurrence matrix (GLCM) Results: The texture analysis results showed that the parameters of correlation and sum average had an obviously statistical significance(P<0.05).more » Conclusion: the results of this study indicate that texture analysis may be useful for the differentiation of central lung cancer and atelectasis.« less

Probing the kinetic energy-release dynamics of H-atom products from the gas-phase reaction of O(3P) with vinyl radical C2H3.

PubMed

Jang, Su-Chan; Choi, Jong-Ho

2014-11-21

The gas-phase radical-radical reaction dynamics of ground-state atomic oxygen O((3)P) with vinyl radicals C2H3 has been studied by combining the results of vacuum-ultraviolet laser-induced fluorescence spectroscopy in a crossed beam configuration with ab initio calculations. The two radical reactants O((3)P) and C2H3 were produced by photolysis of NO2 and supersonic flash pyrolysis of C2H3I, respectively. Doppler profile analysis of the kinetic energy release of the nascent H-atom products from the title reaction O((3)P) + C2H3→ H((2)S) + CH2CO (ketene) revealed that the average translational energy of the products and the average fraction of the total available energy were 7.03 ± 0.30 kcal mol(-1) and 7.2%. The empirical data combined with CBS-QB3 level ab initio theory and statistical calculations demonstrated that the title oxygen-hydrogen exchange reaction is a major reaction channel, through an addition-elimination mechanism involving the formation of a short-lived, dynamical complex on the doublet potential energy surface. On the basis of systematic comparison with several exchange reactions of hydrocarbon radicals, the observed kinetic energy release can be explained in terms of the weak impulse at the moment of decomposition in the loose transition state with a product-like geometry and a small reverse barrier along the exit channel.

Contrast-enhanced spectral mammography with a photon-counting detector.

PubMed

Fredenberg, Erik; Hemmendorff, Magnus; Cederström, Björn; Aslund, Magnus; Danielsson, Mats

2010-05-01

Spectral imaging is a method in medical x-ray imaging to extract information about the object constituents by the material-specific energy dependence of x-ray attenuation. The authors have investigated a photon-counting spectral imaging system with two energy bins for contrast-enhanced mammography. System optimization and the potential benefit compared to conventional non-energy-resolved absorption imaging was studied. A framework for system characterization was set up that included quantum and anatomical noise and a theoretical model of the system was benchmarked to phantom measurements. Optimal combination of the energy-resolved images corresponded approximately to minimization of the anatomical noise, which is commonly referred to as energy subtraction. In that case, an ideal-observer detectability index could be improved close to 50% compared to absorption imaging in the phantom study. Optimization with respect to the signal-to-quantum-noise ratio, commonly referred to as energy weighting, yielded only a minute improvement. In a simulation of a clinically more realistic case, spectral imaging was predicted to perform approximately 30% better than absorption imaging for an average glandularity breast with an average level of anatomical noise. For dense breast tissue and a high level of anatomical noise, however, a rise in detectability by a factor of 6 was predicted. Another approximately 70%-90% improvement was found to be within reach for an optimized system. Contrast-enhanced spectral mammography is feasible and beneficial with the current system, and there is room for additional improvements. Inclusion of anatomical noise is essential for optimizing spectral imaging systems.

Design of a contrast-enhanced dual-energy tomosynthesis system for breast cancer imaging

NASA Astrophysics Data System (ADS)

Hörnig, M. D.; Bätz, L.; Mertelmeier, T.

2012-03-01

Digital breast tomosynthesis (DBT) is a three-dimensional X-ray imaging modality that has the potential to decrease the superimposition effect of breast structural noise, thereby increasing lesion conspicuity. To further improve breast cancer detection, our work has been devoted to develop a prototype for contrast-enhanced dual-energy tomosynthesis (CEDET). CEDET involves the injection of an iodinated contrast agent and measures the relative increase in uptake of contrast in the suspected breast cancer lesion. Either temporal or dual-energy subtraction techniques may be used to implement CEDET. Both 2D contrast-enhanced dual-energy mammography and 3D tomosynthesis can be applied. Here we present the design of a prototype CEDET system based on the Siemens MAMMOMAT Inspiration and employing two additional high-energy filters in addition to the standard Rh filter, the latter being used for the low-energy acquisitions. A quality factor of squared signal-difference-to-noise-ratio of iodine per pixel area and average glandular dose as a function of breast thickness is used to optimize the filter material, the filter thickness, and the tube voltage. The average glandular dose can be calculated from the entrance surface air kerma using computed conversion coefficients DgN for the used X-ray spectra. We also present the results of DQE measurements of the amorphous selenium detector involved. Finally, results of phantom tests for tomosynthesis acquisition and first clinical data in the 2D mode will be shown.

Determination of ureter stent appearance on dual-energy computed tomography scan.

PubMed

Jepperson, Maria A; Thiel, David D; Cernigliaro, Joesph G; Broderick, Gregory A; Parker, Alexander S; Haley, William E

2012-11-01

To examine the dual-energy computed tomography (DECT) properties of 7 commonly used ureteral stents to optimize stent selection for calculi monitored using DECT. The use of DECT to evaluate renal and ureteral calculi has recently increased. Seven stents were individually placed in a fish bowl phantom and imaged using a Siemens Somatom Definition Flash CT scanner. DECT peak tube potentials of 80 and 140 kVp and 100 and 140 kVp were used, reflecting our current dual-energy protocols. These were compared to 31 in vivo stents of known composition. The data were reconstructed on a multimodality WorkPlace (Siemens) using CT syngo Post-Processing Suite software. The average patient age was 64 years (range 27-90). The average body mass index was 31.9 kg/m(2) (range 24-51.6). Of the 27 patients, 4 had uric acid stones and 22 had calcium-based stones; 1 patient had undergone renal transplantation. No difference was seen in the dual-energy characterization of stents from the same manufacturer. All imaged Cook and Bard stents had a dual-energy characterization that approached that of calcium stones (blue). All Boston Scientific and Gyrus ACMI stents had a dual-energy characterization resembling that of uric acid stones (red). The present study evaluated the stent appearance on DECT for various stent manufacturers. This information will aid in the optimal stent selection for patients undergoing treatment of renal calculi and followed up with DECT. Copyright © 2012 Elsevier Inc. All rights reserved.

Deleterious Emission Abatement through Structured Energy Use Pattern: A North Central Nigeria Perspective

NASA Astrophysics Data System (ADS)

Ajayi-Banji, Ademola; Omotosho, Olayinka; Amori, Anthony; Alao, Damilola; Igbode, Imoisime; Abimbola, Olufemi

2016-05-01

Holistic view of household energy consumption based on greenhouse gas emissions in the North Central cities of Nigeria was examined in this study. Scenarios considered were based on income level of energy users (low and high) and energy metering system (i.e. pre-paid and post-paid energy billing systems). Strong direct nexus was observed between energy use and emissions pattern. Energy utilization by post-paid category had higher weekly average value of 35.09 and 41.70 kWh as against 23.18 and 33.38 kWh for low and high income pre-paid consumers respectively. Energy use and greenhouse gas emissions from both classification followed similar trend. Data obtained and analysed in the study show that global warming and acidification potentials could be reduced by 33.94 and 19.95 % for low and high income category consumers when pre-paid meters are in place. Conclusively, energy system users with pre-paid metering system displayed reasonable level of management decisions that reduce energy wastage and consequently environmental negative impacts.

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

PubMed

Johnson, W R; Nilsen, J

2016-03-01

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

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

DOE PAGES

Johnson, W. R.; Nilsen, J.

2016-03-14

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

Langevin model of low-energy fission

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

Sierk, Arnold John

Since the earliest days of fission, stochastic models have been used to describe and model the process. For a quarter century, numerical solutions of Langevin equations have been used to model fission of highly excited nuclei, where microscopic potential-energy effects have been neglected. In this paper I present a Langevin model for the fission of nuclei with low to medium excitation energies, for which microscopic effects in the potential energy cannot be ignored. I solve Langevin equations in a five-dimensional space of nuclear deformations. The macroscopic-microscopic potential energy from a global nuclear structure model well benchmarked to nuclear masses ismore » tabulated on a mesh of approximately 10 7 points in this deformation space. The potential is defined continuously inside the mesh boundaries by use of a moving five-dimensional cubic spline approximation. Because of reflection symmetry, the effective mesh is nearly twice this size. For the inertia, I use a (possibly scaled) approximation to the inertia tensor defined by irrotational flow. A phenomenological dissipation tensor related to one-body dissipation is used. A normal-mode analysis of the dynamical system at the saddle point and the assumption of quasiequilibrium provide distributions of initial conditions appropriate to low excitation energies, and are extended to model spontaneous fission. A dynamical model of postscission fragment motion including dynamical deformations and separation allows the calculation of final mass and kinetic-energy distributions, along with other interesting quantities. The model makes quantitative predictions for fragment mass and kinetic-energy yields, some of which are very close to measured ones. Varying the energy of the incident neutron for induced fission allows the prediction of energy dependencies of fragment yields and average kinetic energies. With a simple approximation for spontaneous fission starting conditions, quantitative predictions are made for some observables which are close to measurements. In conclusion, this model is able to reproduce several mass and energy yield observables with a small number of physical parameters, some of which do not need to be varied after benchmarking to 235U (n, f) to predict results for other fissioning isotopes.« less

Langevin model of low-energy fission

DOE PAGES

Sierk, Arnold John

2017-09-05

Since the earliest days of fission, stochastic models have been used to describe and model the process. For a quarter century, numerical solutions of Langevin equations have been used to model fission of highly excited nuclei, where microscopic potential-energy effects have been neglected. In this paper I present a Langevin model for the fission of nuclei with low to medium excitation energies, for which microscopic effects in the potential energy cannot be ignored. I solve Langevin equations in a five-dimensional space of nuclear deformations. The macroscopic-microscopic potential energy from a global nuclear structure model well benchmarked to nuclear masses ismore » tabulated on a mesh of approximately 10 7 points in this deformation space. The potential is defined continuously inside the mesh boundaries by use of a moving five-dimensional cubic spline approximation. Because of reflection symmetry, the effective mesh is nearly twice this size. For the inertia, I use a (possibly scaled) approximation to the inertia tensor defined by irrotational flow. A phenomenological dissipation tensor related to one-body dissipation is used. A normal-mode analysis of the dynamical system at the saddle point and the assumption of quasiequilibrium provide distributions of initial conditions appropriate to low excitation energies, and are extended to model spontaneous fission. A dynamical model of postscission fragment motion including dynamical deformations and separation allows the calculation of final mass and kinetic-energy distributions, along with other interesting quantities. The model makes quantitative predictions for fragment mass and kinetic-energy yields, some of which are very close to measured ones. Varying the energy of the incident neutron for induced fission allows the prediction of energy dependencies of fragment yields and average kinetic energies. With a simple approximation for spontaneous fission starting conditions, quantitative predictions are made for some observables which are close to measurements. In conclusion, this model is able to reproduce several mass and energy yield observables with a small number of physical parameters, some of which do not need to be varied after benchmarking to 235U (n, f) to predict results for other fissioning isotopes.« less

Energetic O+ and H+ Ions in the Plasma Sheet: Implications for the Transport of Ionospheric Ions

NASA Technical Reports Server (NTRS)

Ohtani, S.; Nose, M.; Christon, S. P.; Lui, A. T.

2011-01-01

The present study statistically examines the characteristics of energetic ions in the plasma sheet using the Geotail/Energetic Particle and Ion Composition data. An emphasis is placed on the O+ ions, and the characteristics of the H+ ions are used as references. The following is a summary of the results. (1) The average O+ energy is lower during solar maximum and higher during solar minimum. A similar tendency is also found for the average H+ energy, but only for geomagnetically active times; (2) The O+ -to -H+ ratios of number and energy densities are several times higher during solar maximum than during solar minimum; (3) The average H+ and O+ energies and the O+ -to -H+ ratios of number and energy densities all increase with geomagnetic activity. The differences among different solar phases not only persist but also increase with increasing geomagnetic activity; (4) Whereas the average H+ energy increases toward Earth, the average O+ energy decreases toward Earth. The average energy increases toward dusk for both the H+ and O+ ions; (5) The O+ -to -H+ ratios of number and energy densities increase toward Earth during all solar phases, but most clearly during solar maximum. These results suggest that the solar illumination enhances the ionospheric outflow more effectively with increasing geomagnetic activity and that a significant portion of the O+ ions is transported directly from the ionosphere to the near ]Earth region rather than through the distant tail.

Energy Pooling, Ion Recombination, and Reactions of Rubidium and Cesium in Hydrocarbon Gasses.

NASA Astrophysics Data System (ADS)

Bresler, Sean Michael; Park, J.; Heaven, Michael

2017-06-01

Diode Pumped Alkali Lasers (DPAL) are continuous wave lasers, potentially capable of megawatt average powers. These lasers exploit the D1 and D2 lines of alkali metals resulting in a 3-level laser with the lasing transition in the near infrared region of the electromagnetic spectrum. Energy pooling processes involving collisions between excited alkali metals cause a fraction of the gain media to be highly excited and eventually ionized. These high energy cesium atoms and ions chemically react with small hydrocarbons utilized as buffer gasses for the system, depleting the gain media. A kinetic model supported by experimental data is introduced to explain the cumulative effects of optical trapping, energy pooling, and chemical reactivity in heavy alkali metal (Rb, Cs) systems. Spectroscopic studies demonstrating metal hydride formation will also be presented.

[Changes in prices of taxed sugar-sweetened beverages and nonessential energy dense food in rural and semi-rural areas in Mexico].

PubMed

Colchero, M Arantxa; Zavala, J Alejandro; Batis, Carolina; Shamah-Levy, Teresa; Rivera-Dommarco, Juan A

2017-01-01

To estimate changes in prices associated with the implementation of the tax to sugar sweetened beverages (SSB) and to nonessential energy dense food in 2014. Price data were collected in rural and semi-rural areas in December 2013, and April and December 2014. Fixed effects models were used to estimate changes in prices of beverages and nonessential energy dense food, stratified by region, retailer and package size. The SSB tax did not pass completely through prices: prices increased on average 0.73 pesos per liter. For nonessential energy dense food, the tax passed completely or was overshifted for cookies, cereal bars and cereal boxes. The potential effect of the taxes on consumption could be attenuated in rural areas as the pass through prices was incomplete.

Design Concept for a Compact ERL to Drive a VUV/Soft X-Ray FEL

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

Christopher Tennant ,David Douglas

2011-03-01

We explore possible upgrades of the existing Jefferson Laboratory IR/UV FEL driver to higher electron beam energy and shorter wavelength through use of multipass recirculation to drive an amplifier FEL. The system would require beam energy at the wiggler of 600 MeV with 1 mA of average current. The system must generate a high brightness beam, configure it appropriately, and preserve beam quality through the acceleration cycle ? including multiple recirculations ? and appropriately manage the phase space during energy recovery. The paper will discuss preliminary design analysis of the longitudinal match, space charge effects in the linac, and recirculatormore » design issues, including the potential for the microbunching instability. A design concept for the low energy recirculator and an emittance preserving lattice solution will be presented.« less

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

NASA Astrophysics Data System (ADS)

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

2018-05-01

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

Variational and perturbative formulations of quantum mechanical/molecular mechanical free energy with mean-field embedding and its analytical gradients.

PubMed

Yamamoto, Takeshi

2008-12-28

Conventional quantum chemical solvation theories are based on the mean-field embedding approximation. That is, the electronic wavefunction is calculated in the presence of the mean field of the environment. In this paper a direct quantum mechanical/molecular mechanical (QM/MM) analog of such a mean-field theory is formulated based on variational and perturbative frameworks. In the variational framework, an appropriate QM/MM free energy functional is defined and is minimized in terms of the trial wavefunction that best approximates the true QM wavefunction in a statistically averaged sense. Analytical free energy gradient is obtained, which takes the form of the gradient of effective QM energy calculated in the averaged MM potential. In the perturbative framework, the above variational procedure is shown to be equivalent to the first-order expansion of the QM energy (in the exact free energy expression) about the self-consistent reference field. This helps understand the relation between the variational procedure and the exact QM/MM free energy as well as existing QM/MM theories. Based on this, several ways are discussed for evaluating non-mean-field effects (i.e., statistical fluctuations of the QM wavefunction) that are neglected in the mean-field calculation. As an illustration, the method is applied to an S(N)2 Menshutkin reaction in water, NH(3)+CH(3)Cl-->NH(3)CH(3) (+)+Cl(-), for which free energy profiles are obtained at the Hartree-Fock, MP2, B3LYP, and BHHLYP levels by integrating the free energy gradient. Non-mean-field effects are evaluated to be <0.5 kcal/mol using a Gaussian fluctuation model for the environment, which suggests that those effects are rather small for the present reaction in water.

Maintained larval growth in mussel larvae exposed to acidified under-saturated seawater.

PubMed

Ventura, Alexander; Schulz, Sabrina; Dupont, Sam

2016-03-29

Ocean acidification (OA) is known to affect bivalve early life-stages. We tested responses of blue mussel larvae to a wide range of pH in order to identify their tolerance threshold. Our results confirmed that decreasing seawater pH and decreasing saturation state increases larval mortality rate and the percentage of abnormally developing larvae. Virtually no larvae reared at average pHT 7.16 were able to feed or reach the D-shell stage and their development appeared to be arrested at the trochophore stage. However larvae were capable of reaching the D-shell stage under milder acidification (pHT ≈ 7.35, 7.6, 7.85) including in under-saturated seawater with Ωa as low as 0.54 ± 0.01 (mean ± s. e. m.), with a tipping point for normal development identified at pHT 7.765. Additionally growth rate of normally developing larvae was not affected by lower pHT despite potential increased energy costs associated with compensatory calcification in response to increased shell dissolution. Overall, our results on OA impacts on mussel larvae suggest an average pHT of 7.16 is beyond their physiological tolerance threshold and indicate a shift in energy allocation towards growth in some individuals revealing potential OA resilience.

Maintained larval growth in mussel larvae exposed to acidified under-saturated seawater

NASA Astrophysics Data System (ADS)

Ventura, Alexander; Schulz, Sabrina; Dupont, Sam

2016-03-01

Ocean acidification (OA) is known to affect bivalve early life-stages. We tested responses of blue mussel larvae to a wide range of pH in order to identify their tolerance threshold. Our results confirmed that decreasing seawater pH and decreasing saturation state increases larval mortality rate and the percentage of abnormally developing larvae. Virtually no larvae reared at average pHT 7.16 were able to feed or reach the D-shell stage and their development appeared to be arrested at the trochophore stage. However larvae were capable of reaching the D-shell stage under milder acidification (pHT ≈ 7.35, 7.6, 7.85) including in under-saturated seawater with Ωa as low as 0.54 ± 0.01 (mean ± s. e. m.), with a tipping point for normal development identified at pHT 7.765. Additionally growth rate of normally developing larvae was not affected by lower pHT despite potential increased energy costs associated with compensatory calcification in response to increased shell dissolution. Overall, our results on OA impacts on mussel larvae suggest an average pHT of 7.16 is beyond their physiological tolerance threshold and indicate a shift in energy allocation towards growth in some individuals revealing potential OA resilience.

Maintained larval growth in mussel larvae exposed to acidified under-saturated seawater

PubMed Central

Ventura, Alexander; Schulz, Sabrina; Dupont, Sam

2016-01-01

Ocean acidification (OA) is known to affect bivalve early life-stages. We tested responses of blue mussel larvae to a wide range of pH in order to identify their tolerance threshold. Our results confirmed that decreasing seawater pH and decreasing saturation state increases larval mortality rate and the percentage of abnormally developing larvae. Virtually no larvae reared at average pHT 7.16 were able to feed or reach the D-shell stage and their development appeared to be arrested at the trochophore stage. However larvae were capable of reaching the D-shell stage under milder acidification (pHT ≈ 7.35, 7.6, 7.85) including in under-saturated seawater with Ωa as low as 0.54 ± 0.01 (mean ± s. e. m.), with a tipping point for normal development identified at pHT 7.765. Additionally growth rate of normally developing larvae was not affected by lower pHT despite potential increased energy costs associated with compensatory calcification in response to increased shell dissolution. Overall, our results on OA impacts on mussel larvae suggest an average pHT of 7.16 is beyond their physiological tolerance threshold and indicate a shift in energy allocation towards growth in some individuals revealing potential OA resilience. PMID:27020613

Structure, dynamics, and thermodynamics of a family of potentials with tunable softness

NASA Astrophysics Data System (ADS)

Shi, Zane; Debenedetti, Pablo G.; Stillinger, Frank H.; Ginart, Paul

2011-08-01

We investigate numerically the structure, thermodynamics, and relaxation behavior of a family of (n, 6) Lennard-Jones-like glass-forming binary mixtures interacting via pair potentials with variable softness, fixed well depth, and fixed well depth location. These constraints give rise to progressively more negative attractive tails upon softening, for separations greater than the potential energy minimum. Over the range of conditions examined, we find only modest dependence of structure on softness. In contrast, decreasing the repulsive exponent from n = 12 to n = 7 causes the diffusivity to increase by as much as two orders of magnitude at fixed temperature and density, and produces mechanically stable packings (inherent structures) with cohesive energies that are, on average, ˜1.7 well depths per particle larger than for the corresponding Lennard-Jones (n = 12) case. The softer liquids have markedly higher entropies and lower Kauzmann temperatures than their Lennard-Jones (n = 12) counterparts, and they remain diffusive down to appreciably lower temperatures. We find that softening leads to a modest increase in fragility.

Green synthesis of silver nanoparticles from Moringa oleifera leaf extracts and its antimicrobial potential

NASA Astrophysics Data System (ADS)

Moodley, Jerushka S.; Babu Naidu Krishna, Suresh; Pillay, Karen; Sershen; Govender, Patrick

2018-03-01

In this study we report on the synthesis of silver nanoparticles (AgNPs) from the leaf extracts of Moringa oleifera using sunlight irradiation as primary source of energy, and its antimicrobial potential. Silver nanoparticle formation was confirmed by surface plasmon resonance at 450 nm and 440 nm, respectively for both fresh and freeze-dried leaf samples. Crystanality of AgNPs was confirmed by transmission electron microscopy, scanning electron microscopy with energy dispersive x-ray spectroscopy and Fourier transform infrared (FTIR) spectroscopy analysis. FTIR spectroscopic analysis suggested that flavones, terpenoids and polysaccharides predominate and are primarily responsible for the reduction and subsequent capping of AgNPs. X-ray diffraction analysis also demonstrated that the size range of AgNPs from both samples exhibited average diameters of 9 and 11 nm, respectively. Silver nanoparticles showed antimicrobial activity on both bacterial and fungal strains. The biosynthesised nanoparticle preparations from M. oleifera leaf extracts exhibit potential for application as broad-spectrum antimicrobial agents.

Ab Initio Potential Energy Surfaces and the Calculation of Accurate Vibrational Frequencies

NASA Technical Reports Server (NTRS)

Lee, Timothy J.; Dateo, Christopher E.; Martin, Jan M. L.; Taylor, Peter R.; Langhoff, Stephen R. (Technical Monitor)

1995-01-01

Due to advances in quantum mechanical methods over the last few years, it is now possible to determine ab initio potential energy surfaces in which fundamental vibrational frequencies are accurate to within plus or minus 8 cm(exp -1) on average, and molecular bond distances are accurate to within plus or minus 0.001-0.003 Angstroms, depending on the nature of the bond. That is, the potential energy surfaces have not been scaled or empirically adjusted in any way, showing that theoretical methods have progressed to the point of being useful in analyzing spectra that are not from a tightly controlled laboratory environment, such as vibrational spectra from the interstellar medium. Some recent examples demonstrating this accuracy will be presented and discussed. These include the HNO, CH4, C2H4, and ClCN molecules. The HNO molecule is interesting due to the very large H-N anharmonicity, while ClCN has a very large Fermi resonance. The ab initio studies for the CH4 and C2H4 molecules present the first accurate full quartic force fields of any kind (i.e., whether theoretical or empirical) for a five-atom and six-atom system, respectively.

Assessment of Power Potential of Tidal Currents and Impacts of Power Extraction on Flow Conditions in Indonesia

NASA Astrophysics Data System (ADS)

Orhan, Kadir; Mayerle, Roberto

2017-04-01

Climate change is an urgent and potentially irreversible threat to human societies and the planet and thus requires an effective and appropriate response, with a view to accelerating the reduction of global greenhouse gas emissions. At this point, a worldwide shift to renewable energy is crucial. In this study, a methodology comprising of the estimates of power yield, evaluation of the effects of power extraction on flow conditions, and near-field investigations to deliver wake characteristics, recovery and interactions is described and applied to several straits in Indonesia. Site selection is done with high-resolution, three-dimensional flow models providing sufficient spatiotemporal coverage. Much attention has been given to the meteorological forcing, and conditions at the open sea boundaries to adequately capture the density gradients and flow fields. Model verifications using tidal records show excellent agreement. Sites with adequate depth for the energy conversion using horizontal axis tidal turbines, average kinetic power density greater than 0.5 kW/m2, and surface area larger than 0.5km2 are defined as energy hotspots. Spatial variation of the average extractable electric power is determined, and annual tidal energy resource is estimated for the straits in question. The results showed that the potential for tidal power generation in Indonesia is likely to exceed previous predictions reaching around 4,800MW. Models with higher resolutions have been developed to assess the impacts of devices on flow conditions and to resolve near-field turbine wakes in greater detail. The energy is assumed to be removed uniformly by sub-grid scale arrays of turbines. An additional drag force resulting in dissipation of the pre-existing kinetic power from 10% to 60% within a flow cross-section is introduced to capture the impacts. k-ɛ model, which is a second order turbulence closure model is selected to involve the effects of the turbulent kinetic energy and turbulent kinetic energy dissipation. Preliminary results show the effectiveness of the method to capture the effects of power extraction, and wake characteristics and recovery reasonably well with low computational cost. It was found that although there is no significant change regarding water levels, an impact has been observed on current velocities as a result of velocity profile adjusting to the increased momentum transfer. It was also seen that, depending on the level of energy dissipation, currently recommended tidal farm configurations can be conservative regarding the spacing of the tidal turbines.

Implementation of dual-energy technique for virtual monochromatic and linearly mixed CBCTs

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

Li Hao; Giles, William; Ren Lei

Purpose: To implement dual-energy imaging technique for virtual monochromatic (VM) and linearly mixed (LM) cone beam CTs (CBCTs) and to demonstrate their potential applications in metal artifact reduction and contrast enhancement in image-guided radiation therapy (IGRT). Methods: A bench-top CBCT system was used to acquire 80 kVp and 150 kVp projections, with an additional 0.8 mm tin filtration. To implement the VM technique, these projections were first decomposed into acrylic and aluminum basis material projections to synthesize VM projections, which were then used to reconstruct VM CBCTs. The effect of VM CBCT on the metal artifact reduction was evaluated withmore » an in-house titanium-BB phantom. The optimal VM energy to maximize contrast-to-noise ratio (CNR) for iodine contrast and minimize beam hardening in VM CBCT was determined using a water phantom containing two iodine concentrations. The LM technique was implemented by linearly combining the low-energy (80 kVp) and high-energy (150 kVp) CBCTs. The dose partitioning between low-energy and high-energy CBCTs was varied (20%, 40%, 60%, and 80% for low-energy) while keeping total dose approximately equal to single-energy CBCTs, measured using an ion chamber. Noise levels and CNRs for four tissue types were investigated for dual-energy LM CBCTs in comparison with single-energy CBCTs at 80, 100, 125, and 150 kVp. Results: The VM technique showed substantial reduction of metal artifacts at 100 keV with a 40% reduction in the background standard deviation compared to a 125 kVp single-energy scan of equal dose. The VM energy to maximize CNR for both iodine concentrations and minimize beam hardening in the metal-free object was 50 keV and 60 keV, respectively. The difference of average noise levels measured in the phantom background was 1.2% between dual-energy LM CBCTs and equivalent-dose single-energy CBCTs. CNR values in the LM CBCTs of any dose partitioning are better than those of 150 kVp single-energy CBCTs. The average CNR for four tissue types with 80% dose fraction at low-energy showed 9.0% and 4.1% improvement relative to 100 kVp and 125 kVp single-energy CBCTs, respectively. CNRs for low-contrast objects improved as dose partitioning was more heavily weighted toward low-energy (80 kVp) for LM CBCTs. Conclusions: Dual-energy CBCT imaging techniques were implemented to synthesize VM CBCT and LM CBCTs. VM CBCT was effective at achieving metal artifact reduction. Depending on the dose-partitioning scheme, LM CBCT demonstrated the potential to improve CNR for low contrast objects compared to single-energy CBCT acquired with equivalent dose.« less

Energy budget for the cultured, zooxanthellate octocoral Sinularia flexibilis.

PubMed

Khalesi, Mohammad K; Beeftink, H H; Wijffels, R H

2011-12-01

The zooxanthellate octocoral Sinularia flexibilis is a producer of potential pharmaceutically important metabolites such as antimicrobial and cytotoxic substances. Controlled rearing of the coral, as an alternative for commercial exploitation of these compounds, requires the study of species-specific growth requirements. In this study, phototrophic vs. heterotrophic daily energy demands of S. flexibilis was investigated through light and Artemia feeding trials in the laboratory. Rate of photosynthetic oxygen by zooxanthellae in light (≈200 μmol quanta m⁻² s⁻¹) was measured for the coral colonies with and without feeding on Artemia nauplii. Respiratory oxygen was measured in the dark, again with and without Artemia nauplii. Photosynthesis-irradiance curve at light intensities of 0, 50, 100, 200, and 400 μmol quanta m⁻² s⁻¹ showed an increase in photosynthetic oxygen production up to a light intensity between 100 and 200 μmol quanta m⁻² s⁻¹. The photosynthesis to respiration ratio (P/R > 1) confirmed phototrophy of S. flexibilis. Both fed and non-fed colonies in the light showed high carbon contribution by zooxanthellae to animal (host) respiration values of 111-127%. Carbon energy equivalents allocated to the coral growth averaged 6-12% of total photosynthesis energy (mg C g⁻¹ buoyant weight day⁻¹ and about 0.02% of the total daily radiant energy. "Light utilization efficiency (ε)" estimated an average ε value of 75% 12 h⁻¹ for coral practical energetics. This study shows that besides a fundamental role of phototrophy vs. heterotrophy in daily energy budget of S. flexibilis, an efficient fraction of irradiance is converted to useable energy.

Computing the Free Energy Barriers for Less by Sampling with a Coarse Reference Potential while Retaining Accuracy of the Target Fine Model.

PubMed

Plotnikov, Nikolay V

2014-08-12

Proposed in this contribution is a protocol for calculating fine-physics (e.g., ab initio QM/MM) free-energy surfaces at a high level of accuracy locally (e.g., only at reactants and at the transition state for computing the activation barrier) from targeted fine-physics sampling and extensive exploratory coarse-physics sampling. The full free-energy surface is still computed but at a lower level of accuracy from coarse-physics sampling. The method is analytically derived in terms of the umbrella sampling and the free-energy perturbation methods which are combined with the thermodynamic cycle and the targeted sampling strategy of the paradynamics approach. The algorithm starts by computing low-accuracy fine-physics free-energy surfaces from the coarse-physics sampling in order to identify the reaction path and to select regions for targeted sampling. Thus, the algorithm does not rely on the coarse-physics minimum free-energy reaction path. Next, segments of high-accuracy free-energy surface are computed locally at selected regions from the targeted fine-physics sampling and are positioned relative to the coarse-physics free-energy shifts. The positioning is done by averaging the free-energy perturbations computed with multistep linear response approximation method. This method is analytically shown to provide results of the thermodynamic integration and the free-energy interpolation methods, while being extremely simple in implementation. Incorporating the metadynamics sampling to the algorithm is also briefly outlined. The application is demonstrated by calculating the B3LYP//6-31G*/MM free-energy barrier for an enzymatic reaction using a semiempirical PM6/MM reference potential. These modifications allow computing the activation free energies at a significantly reduced computational cost but at the same level of accuracy compared to computing full potential of mean force.

Computing the Free Energy Barriers for Less by Sampling with a Coarse Reference Potential while Retaining Accuracy of the Target Fine Model

PubMed Central

2015-01-01

Proposed in this contribution is a protocol for calculating fine-physics (e.g., ab initio QM/MM) free-energy surfaces at a high level of accuracy locally (e.g., only at reactants and at the transition state for computing the activation barrier) from targeted fine-physics sampling and extensive exploratory coarse-physics sampling. The full free-energy surface is still computed but at a lower level of accuracy from coarse-physics sampling. The method is analytically derived in terms of the umbrella sampling and the free-energy perturbation methods which are combined with the thermodynamic cycle and the targeted sampling strategy of the paradynamics approach. The algorithm starts by computing low-accuracy fine-physics free-energy surfaces from the coarse-physics sampling in order to identify the reaction path and to select regions for targeted sampling. Thus, the algorithm does not rely on the coarse-physics minimum free-energy reaction path. Next, segments of high-accuracy free-energy surface are computed locally at selected regions from the targeted fine-physics sampling and are positioned relative to the coarse-physics free-energy shifts. The positioning is done by averaging the free-energy perturbations computed with multistep linear response approximation method. This method is analytically shown to provide results of the thermodynamic integration and the free-energy interpolation methods, while being extremely simple in implementation. Incorporating the metadynamics sampling to the algorithm is also briefly outlined. The application is demonstrated by calculating the B3LYP//6-31G*/MM free-energy barrier for an enzymatic reaction using a semiempirical PM6/MM reference potential. These modifications allow computing the activation free energies at a significantly reduced computational cost but at the same level of accuracy compared to computing full potential of mean force. PMID:25136268

Self-consistent electrostatic potential due to trapped plasma in the magnetosphere

NASA Technical Reports Server (NTRS)

Miller, Ronald H.; Khazanov, George V.

1993-01-01

A steady state solution for the self-consistent electrostatic potential due to a plasma confined in a magnetic flux tube is considered. A steady state distribution function is constructed for the trapped particles from the constants of the motion, in the absence of waves and collisions. Using Liouville's theorem, the particle density along the geomagnetic field is determined and found to depend on the local magnetic field, self-consistent electric potential, and the equatorial plasma distribution function. A hot anisotropic magnetospheric plasma in steady state is modeled by a bi-Maxwellian at the equator. The self-consistent electric potential along the magnetic field is calculated assuming quasineutrality, and the potential drop is found to be approximately equal to the average kinetic energy of the equatorially trapped plasma. The potential is compared with that obtained by Alfven and Faelthammar (1963).

The power of runoff

NASA Astrophysics Data System (ADS)

Wörman, A.; Lindström, G.; Riml, J.

2017-05-01

Although the potential energy of surface water is a small part of Earth's energy budget, this highly variable physical property is a key component in the terrestrial hydrologic cycle empowering geomorphological and hydrological processes throughout the hydrosphere. By downscaling of the daily hydrometeorological data acquired in Sweden over the last half-century this study quantifies the spatial and temporal distribution of the dominating energy components in terrestrial hydrology, including the frictional resistance in surface water and groundwater as well as hydropower. The energy consumed in groundwater circulation was found to be 34.6 TWh/y or a heat production of approximately 13% of the geothermal heat flux. Significant climate driven, periodic fluctuations in the power of runoff, stream flows and groundwater circulation were revealed that have not previously been documented. We found that the runoff power ranged from 173 to 260 TWh/y even when averaged over the entire surface of Sweden in a five-year moving window. We separated short-term fluctuations in runoff due to precipitation filtered through the watershed from longer-term seasonal and climate driven modes. Strong climate driven correlations between the power of runoff and climate indices, wind and solar intensity were found over periods of 3.6 and 8 years. The high covariance that we found between the potential energy of surface water and wind energy implies significant challenges for the combination of these renewable energy sources.

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

NASA Astrophysics Data System (ADS)

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

2015-11-01

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

Postprandial energy expenditure in whole-food and processed-food meals: implications for daily energy expenditure.

PubMed

Barr, Sadie B; Wright, Jonathan C

2010-07-02

Empirical evidence has shown that rising obesity rates closely parallel the increased consumption of processed foods (PF) consumption in USA. Differences in postprandial thermogenic responses to a whole-food (WF) meal vs. a PF meal may be a key factor in explaining obesity trends, but currently there is limited research exploring this potential link. The goal was to determine if a particular PF meal has a greater thermodynamic efficiency than a comparable WF meal, thereby conferring a greater net-energy intake. Subjective satiation scores and postprandial energy expenditure were measured for 5-6 h after isoenergetic meals were ingested. The meals were either 'whole' or 'processed' cheese sandwiches; multi-grain bread and cheddar cheese were deemed whole, while white bread and processed cheese product were considered processed. Meals were comparable in terms of protein (15-20%), carbohydrate (40-50%), and fat (33-39%) composition. Subjects were healthy women (n=12) and men (n=5) studied in a crossover design. There were no significant differences in satiety ratings after the two meals. Average energy expenditure for the WF meal (137+/-14.1 kcal, 19.9% of meal energy) was significantly larger than for the PF meal (73.1+/-10.2 kcal, 10.7% of meal energy). Ingestion of the particular PF meal tested in this study decreases postprandial energy expenditure by nearly 50% compared with the isoenergetic WF meal. This reduction in daily energy expenditure has potential implications for diets comprised heavily of PFs and their associations with obesity.

[Spectral investigation of atmospheric pressure plasma column].

PubMed

Li, Xue-Chen; Chang, Yuan-Yuan; Xu, Long-Fei

2012-07-01

Atmospheric pressure plasma column has many important applications in plasma stealth for aircraft. In the present paper, a plasma column with a length of 65 cm was generated in argon at atmospheric pressure by using dielectric barrier discharge device with water electrodes in coaxial configurations. The discharge mechanism of the plasma column was studied by optical method and the result indicates that a moving layer of light emission propagates in the upstream region. The propagation velocity of the plasma bullet is about 0.6 x 10(5) m x s(-1) through optical measurement. Spectral intensity ratios as functions of the applied voltage and driving frequency were also investigated by spectroscopic method. The variation in spectral intensity ratio implies a change in the averaged electron energy. Results show that the averaged electron energy increases with the increase in the applied voltage and the driving frequency. These results have significant values for industrial applications of the atmospheric pressure discharge and have extensive application potentials in stealth for military aircraft.

Municipal wastewater sludge as a sustainable bioresource in the United States

DOE PAGES

Seiple, Timothy E.; Coleman, André M.; Skaggs, Richard L.

2017-04-20

Within the United States and Puerto Rico, publicly owned treatment works (POTWs) process 130.5 Gl/d (34.5 Bgal/d) of wastewater, producing sludge as a waste product. Emerging technologies offer novel waste-to-energy pathways through whole sludge conversion into biofuels. Assessing the feasibility, scalability and tradeoffs of various energy conversion pathways is difficult in the absence of highly spatially resolved estimates of sludge production. In this study, average wastewater solids concentrations and removal rates, and site specific daily average influent flow are used to estimate site specific annual sludge production on a dry weight basis for >15,000 POTWs. Current beneficial uses, regional productionmore » hotspots and feedstock aggregation potential are also assessed. Analyses indicate 1) POTWs capture 12.56 Tg/y (13.84 MT/y) of dry solids; 2) 50% are not beneficially utilized, and 3) POTWs can support seven regions that aggregate >910 Mg/d (1000 T/d) of sludge within a travel distance of 100 km.« less

High-power highly stable passively Q-switched fiber laser based on monolayer graphene

NASA Astrophysics Data System (ADS)

Wu, Hanshuo; Song, Jiaxin; Wu, Jian; Xu, Jiangming; Xiao, Hu; Leng, Jinyong; Zhou, Pu

2018-03-01

We demonstrate a monolayer graphene-based passively Q-switched fiber laser with three-stage amplifiers that can deliver an average power of over 80 W at 1064 nm. The highest average power achieved is 84.1 W, with a pulse energy of 1.67 mJ. To the best of our knowledge this is the first report of a high-power passively Q-switched fiber laser in the 1 µm range. More importantly, the Q-switched fiber laser operated stably during a week of tests for a few hours per day, which proves the stability and practical application potential of graphene in high-power pulsed fiber lasers.

Hydropower's Biogenic Carbon Footprint

PubMed Central

Pfister, Stephan

2016-01-01

Global warming is accelerating and the world urgently needs a shift to clean and renewable energy. Hydropower is currently the largest renewable source of electricity, but its contribution to climate change mitigation is not yet fully understood. Hydroelectric reservoirs are a source of biogenic greenhouse gases and in individual cases can reach the same emission rates as thermal power plants. Little is known about the severity of their emissions at the global scale. Here we show that the carbon footprint of hydropower is far higher than previously assumed, with a global average of 173 kg CO2 and 2.95 kg CH4 emitted per MWh of electricity produced. This results in a combined average carbon footprint of 273 kg CO2e/MWh when using the global warming potential over a time horizon of 100 years (GWP100). Nonetheless, this is still below that of fossil energy sources without the use of carbon capture and sequestration technologies. We identified the dams most promising for capturing methane for use as alternative energy source. The spread among the ~1500 hydropower plants analysed in this study is large and highlights the importance of case-by-case examinations. PMID:27626943

Correlations between U.S. county annual cancer incidence and population density.

PubMed

Vares, David Ae; St-Pierre, Linda S; Persinger, Michael A

2015-01-01

Population density implicitly involves specific distances between living individuals who exhibit biophysical forces and energies. Objective was to investigate major data bases of cancer incidence and population data to help understand the emergent properties of diseases that become apparent only when large populations and areas are considered. Correlation analyses of the annual incidence (years 2007 to 2011) of cancer in counties (2,885) of the U.S. and population densities were convergent with these quantitative predictions and suggested an inflection threshold around 50 people per square mile. The potential role of subtle or even "non-local" factors coupled to averaged population density in the viability and mortality of the human species may serve as alternative explanations to the attribution of malignancy to "chance" factors. Calculations indicated average distances between the electric force dipole of the brains or bodies of human beings generate forces known to affect DNA extension and when distributed over the Compton wavelength of the electron could produce energies sufficient to affect the binding of base nucleotides. An inclusive science of human ecology might benefit from considering subtle forces and energies associated with the individual members within the habitat that could determine the probability of cellular anomalies.

Characterization of Lunar Polar Illumination from a Power System Perspective

NASA Technical Reports Server (NTRS)

Fincannon, James

2008-01-01

This paper presents the results of illumination analyses for the lunar south and north pole regions obtained using an independently developed analytical tool and two types of digital elevation models (DEM). One DEM was based on radar height data from Earth observations of the lunar surface and the other was a combination of the radar data with a separate dataset generated using Clementine spacecraft stereo imagery. The analysis tool enables the assessment of illumination at most locations in the lunar polar regions for any time and any year. Maps are presented for both lunar poles for the worst case winter period (the critical power system design and planning bottleneck) and for the more favorable best case summer period. Average illumination maps are presented to help understand general topographic trends over the regions. Energy storage duration maps are presented to assist in power system design. Average illumination fraction, energy storage duration, solar/horizon terrain elevation profiles and illumination fraction profiles are presented for favorable lunar north and south pole sites which have the potential for manned or unmanned spacecraft operations. The format of the data is oriented for use by power system designers to develop mass optimized solar and energy storage systems.

RECS Data Show Decreased Energy Consumption per Household

EIA Publications

2012-01-01

Total United States energy consumption in homes has remained relatively stable for many years as increased energy efficiency has offset the increase in the number and average size of housing units, according to the newly released data from the Residential Energy Consumption Survey (RECS). The average household consumed 90 million British thermal units (Btu) in 2009 based on RECS. This continues the downward trend in average residential energy consumption of the last 30 years. Despite increases in the number and the average size of homes plus increased use of electronics, improvements in efficiency for space heating, air conditioning, and major appliances have all led to decreased consumption per household. Newer homes also tend to feature better insulation and other characteristics, such as double-pane windows, that improve the building envelope.

Geohydrology and evapotranspiration at Franklin Lake playa, Inyo County, California; with a section on estimating evapotranspiration using the energy-budget eddy-correlation technique

USGS Publications Warehouse

Czarnecki, John B.; Stannard, David I.

1997-01-01

Franklin Lake playa is one of the principal discharge areas of the ground-water-flow system associated with Yucca Mountain, Nevada, the potential site of a high-level nuclear-waste repository. By using the energy-budget eddy-correlation technique, measurements made between June 1983 and April 1984 to estimate evapotranspiration were found to range from 0.1 centimeter per day during winter months to about 0.3 centimeter per day during summer months; the annual average was 0.16 centimeter per day. These estimates were compared with evapotranspiration estimates calculated from six other methods.

16 CFR Appendix K to Part 305 - Representative Average Unit Energy Costs

Code of Federal Regulations, 2013 CFR

2013-01-01

... 16 Commercial Practices 1 2013-01-01 2013-01-01 false Representative Average Unit Energy Costs K... CONGRESS RULE CONCERNING DISCLOSURES REGARDING ENERGY CONSUMPTION AND WATER USE OF CERTAIN HOME APPLIANCES AND OTHER PRODUCTS REQUIRED UNDER THE ENERGY POLICY AND CONSERVATION ACT (âAPPLIANCE LABELING RULEâ...

16 CFR Appendix K to Part 305 - Representative Average Unit Energy Costs

Code of Federal Regulations, 2011 CFR

2011-01-01

... 16 Commercial Practices 1 2011-01-01 2011-01-01 false Representative Average Unit Energy Costs K... CONGRESS RULE CONCERNING DISCLOSURES REGARDING ENERGY CONSUMPTION AND WATER USE OF CERTAIN HOME APPLIANCES AND OTHER PRODUCTS REQUIRED UNDER THE ENERGY POLICY AND CONSERVATION ACT (âAPPLIANCE LABELING RULEâ...

16 CFR Appendix K to Part 305 - Representative Average Unit Energy Costs

Code of Federal Regulations, 2012 CFR

2012-01-01

... 16 Commercial Practices 1 2012-01-01 2012-01-01 false Representative Average Unit Energy Costs K... CONGRESS RULE CONCERNING DISCLOSURES REGARDING ENERGY CONSUMPTION AND WATER USE OF CERTAIN HOME APPLIANCES AND OTHER PRODUCTS REQUIRED UNDER THE ENERGY POLICY AND CONSERVATION ACT (âAPPLIANCE LABELING RULEâ...

16 CFR Appendix K to Part 305 - Representative Average Unit Energy Costs

Code of Federal Regulations, 2010 CFR

2010-01-01

... 16 Commercial Practices 1 2010-01-01 2010-01-01 false Representative Average Unit Energy Costs K... CONGRESS RULE CONCERNING DISCLOSURES REGARDING ENERGY CONSUMPTION AND WATER USE OF CERTAIN HOME APPLIANCES AND OTHER PRODUCTS REQUIRED UNDER THE ENERGY POLICY AND CONSERVATION ACT (âAPPLIANCE LABELING RULEâ...

Estimating the actual ET from a pecan farm using the OPEC energy-balance and Penman- Monteith methods

NASA Astrophysics Data System (ADS)

Debele, B.; Bawazir, S. A.

2006-12-01

Accurate estimation of ET from field crops/orchards is the basis for better irrigation water management. In areas like Mesilla Valley, NM, where water is scarce, it is even more important to precisely determine the crop ET. An OPEC energy balance system was run for 117 days (June 22 October 14, 2001) in a matured pecan farm at Mesilla Valley, NM. The actual evapotranspiration (ET) from pecan orchards was determined from the surface energy balance as a residual, having measured the net radiation, soil heat flux, and sensible heat components using the OPEC method. Since pecans are large trees, we have also examined the effect of including thermal energies stored in the air (Ga) and plant canopy (Gc), on top of the commonly used thermal energy stored in the soil (Gs), on surface energy balance, and hence ET. The results indicate that incorporating thermal energies stored in the air and canopy has a significant effect on total energy storage for shorter temporal resolutions, such as 30-minutes and an hour. Conversely, for longer temporal resolutions (e.g., diurnal and monthly averages), the effect of including thermal energies stored in the air and vegetation on total thermal energy storage is negligible. Our results also showed that the bulk of the total thermal energy storage (G = Gs + Ga + Gc) in the surface energy balance was stored in the soil (Gs). In addition, we have also determined the crop coefficient (Kc) of pecan by combining the actual ET obtained from the OPEC method and potential ET (ET0) calculated using weather data in the surrounding area. Our average pecan Kc values were comparable with the ones reported by other researchers using different methods. We conclude that the OPEC energy balance method can be used to calculate Kc values for pecan whereby farmers and extension agents use the calculated Kc values in combination with ET0 to determine the consumptive use of pecan trees.

Energy Intensity Trends in AEO2010 (released in AEO2010)

EIA Publications

2010-01-01

Energy intensity (energy consumption per dollar of real GDP) indicates how much energy a country uses to produce its goods and services. From the early 1950s to the early 1970s, U.S. total primary energy consumption and real GDP increased at nearly the same annual rate. During that period, real oil prices remained virtually flat. In contrast, from the mid-1970s to 2008, the relationship between energy consumption and real GDP growth changed, with primary energy consumption growing at less than one-third the previous average rate and real GDP growth continuing to grow at its historical rate. The decoupling of real GDP growth from energy consumption growth led to a decline in energy intensity that averaged 2.8% per year from 1973 to 2008. In the Annual Energy Outlook 2010 Reference case, energy intensity continues to decline, at an average annual rate of 1.9% from 2008 to 2035.

Ruthenium Oxide Electrochemical Super Capacitor Optimization for Pulse Power Applications

NASA Technical Reports Server (NTRS)

Merryman, Stephen A.; Chen, Zheng

2000-01-01

Electrical actuator systems are being pursued as alternatives to hydraulic systems to reduce maintenance time, weight and costs while increasing reliability. Additionally, safety and environmental hazards associated with the hydraulic fluids can be eliminated. For most actuation systems, the actuation process is typically pulsed with high peak power requirements but with relatively modest average power levels. The power-time requirements for electrical actuators are characteristic of pulsed power technologies where the source can be sized for the average power levels while providing the capability to achieve the peak requirements. Among the options for the power source are battery systems, capacitor systems or battery-capacitor hybrid systems. Battery technologies are energy dense but deficient in power density; capacitor technologies are power dense but limited by energy density. The battery-capacitor hybrid system uses the battery to supply the average power and the capacitor to meet the peak demands. It has been demonstrated in previous work that the hybrid electrical power source can potentially provide a weight savings of approximately 59% over a battery-only source. Electrochemical capacitors have many properties that make them well-suited for electrical actuator applications. They have the highest demonstrated energy density for capacitive storage (up to 100 J/g), have power densities much greater than most battery technologies (greater than 30kW/kg), are capable of greater than one million charge-discharge cycles, can be charged at extremely high rates, and have non-explosive failure modes. Thus, electrochemical capacitors exhibit a combination of desirable battery and capacitor characteristics.

Energy and Cost Savings of Retro-Commissioning and Retrofit Measures for Large Office Buildings

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

Wang, Weimin; Zhang, Jian; Moser, Dave

2012-08-03

This paper evaluates the energy and cost savings of seven retro-commissioning measures and 29 retrofit measures applicable to most large office buildings. The baseline model is for a hypothetical building with characteristics of large office buildings constructed before 1980. Each retro-commissioning measure is evaluated against the original baseline in terms of its potential of energy and cost savings while each retrofit measure is evaluated against the commissioned building. All measures are evaluated in five locations (Miami, Las Vegas, Seattle, Chicago and Duluth) to understand the impact of weather conditions on energy and cost savings. The results show that implementation ofmore » the seven operation and maintenance measures as part of a retro-commissioning process can yield an average of about 22% of energy use reduction and 14% of energy cost reduction. Widening zone temperature deadband, lowering VAV terminal minimum air flow set points and lighting upgrades are effective retrofit measures to be considered.« less

Baroclinic Instability and Energy Transfer underlying the Kuroshio eddy shedding process in Luzon Strait

NASA Astrophysics Data System (ADS)

Lu, J.

2016-02-01

The Kuroshio eddy shedding in Luzon Strait has been intensively studied, due to its important role in the energy budgets of the special gap-passing western boundary current and its potential influence to South China Sea. In this study, the eddy-mean flow interaction is first diagnosed with two classical "stationary" methods. Both show that, in a "time-averaged" sense, baroclinic instability and energy transfer provides the energy source for Kuroshio anticyclonic eddy shedding and the accompanied cyclonic eddy growth in Luzon Strait (this eddy pair will be called AC/C-Es for short). To take into account the "nonstationary and intermittent" nature, the temporal evolutions of energy transfer during a typical Kuroshio eddy shedding process are investigated using the localized multi-scale-window energy and vorticity analysis, or MS-EVA for short. Two stages are roughly distinguished according to the evolutionary nature of this process: the growing stage and the shedding stage. In the growing stage, the energy source straddles both the AC/C-Es, indicating mean flow supplies potential energy to both AC/C-Es for growth; the energy transfer hot spot persistently strengthens and expands horizontally as well as vertically from 200-300m to 100-400m depth range, culminating in a maximum of approximately 1.5×10-7 m2s-3. In the shedding stage, the energy source moves onto the accompanied cyclonic eddy, i.e., the mean flow now supplies energy mainly to the cyclonic eddy, making it strong enough to cut off the anticyclonic eddy from Kuroshio, leading to the Kuroshio eddy shedding.

An evaluation of the impact of forest biomass harvest for biofuels on carbon storage in the US west coast states under different management scenarios

NASA Astrophysics Data System (ADS)

Hudiburg, T. M.; Law, B. E.

2009-12-01

Mitigation strategies to reduce fossil fuel emissions of carbon dioxide have lead to investigation of alternative sources of fuels. National and state forest policies have been implemented to both reduce risk of wildfire and promote use of forest biomass as a secondary biofuels energy source. However, the cost and biomass availability have been estimated without quantifying the impact on current and future terrestrial carbon balances. This study uses a combination of Federal Inventory Analysis data (FIA) and supplementary plot data for Washington, Oregon and California to quantify the current forest carbon stocks, net ecosystem production (NEP), and net biome production (NBP = NEP - removals) for the period from 2001-2006. Varying management treatments were applied to determine the net cost, carbon debt, and biofuels energy potential. The treatments were designed to meet multiple objectives emphasizing carbon storage, economic gain, or energy production. The hazardous fuels reduction treatment minimizes carbon loss by only harvesting biomass in forested areas classified by moderate to high risk fire condition classes (FRCC class). This scenario assumes no additional harvest in ecoregions characterized by long fire return intervals (>100 years) such as the Coast Range and the West Cascades and limits removals to an 18 in diameter at breast height (DBH). The energy production treatment maximizes biomass removal by harvesting areas regardless of FRCC class and allows removals up to a 24 inch DBH. Statewide estimates of carbon for 2001-2006 prior to harvest scenarios for California, Oregon, and Washington respectively are as follows: 1) Total land-based carbon stocks (excluding soils) averages 1680, 1663, and 1278 Tg C; 2) NEP is positive in most ecoregions averaging 213, 180, and 191 g C m-2 yr-1; 3) Actual harvest removals averaged 2.7, 6.5, and 5.1 Tg C yr-1 for the same period. In Oregon, the amount of biomass available for biofuels varies from 128 g C m-2 in the hazardous fuels reduction treatment versus 185 g C m-2 in the energy production treatment. Removal of this biomass over the next 20 years is estimated to result in an additional 4 Tg C yr-1 (a 60% increase) in harvest removals for the hazardous fuels reduction treatment and an additional 14 Tg C yr-1 (216% increase) for the energy production treatment. Even in a minimal removals scenario and assuming no other disturbance losses (i.e. insects and fire), Oregon forest NBP will be significantly reduced with the potential to become a carbon source.

Kinetic energy distribution of multiply charged ions in Coulomb explosion of Xe clusters.

PubMed

Heidenreich, Andreas; Jortner, Joshua

2011-02-21

We report on the calculations of kinetic energy distribution (KED) functions of multiply charged, high-energy ions in Coulomb explosion (CE) of an assembly of elemental Xe(n) clusters (average size (n) = 200-2171) driven by ultra-intense, near-infrared, Gaussian laser fields (peak intensities 10(15) - 4 × 10(16) W cm(-2), pulse lengths 65-230 fs). In this cluster size and pulse parameter domain, outer ionization is incomplete∕vertical, incomplete∕nonvertical, or complete∕nonvertical, with CE occurring in the presence of nanoplasma electrons. The KEDs were obtained from double averaging of single-trajectory molecular dynamics simulation ion kinetic energies. The KEDs were doubly averaged over a log-normal cluster size distribution and over the laser intensity distribution of a spatial Gaussian beam, which constitutes either a two-dimensional (2D) or a three-dimensional (3D) profile, with the 3D profile (when the cluster beam radius is larger than the Rayleigh length) usually being experimentally realized. The general features of the doubly averaged KEDs manifest the smearing out of the structure corresponding to the distribution of ion charges, a marked increase of the KEDs at very low energies due to the contribution from the persistent nanoplasma, a distortion of the KEDs and of the average energies toward lower energy values, and the appearance of long low-intensity high-energy tails caused by the admixture of contributions from large clusters by size averaging. The doubly averaged simulation results account reasonably well (within 30%) for the experimental data for the cluster-size dependence of the CE energetics and for its dependence on the laser pulse parameters, as well as for the anisotropy in the angular distribution of the energies of the Xe(q+) ions. Possible applications of this computational study include a control of the ion kinetic energies by the choice of the laser intensity profile (2D∕3D) in the laser-cluster interaction volume.

10 CFR 440.24 - Recordkeeping.

Code of Federal Regulations, 2010 CFR

2010-01-01

... for such project or program not supplied by DOE, the average costs incurred in weatherization of individual dwelling units, the average size of the dwelling being weatherized, the average income of... ENERGY ENERGY CONSERVATION WEATHERIZATION ASSISTANCE FOR LOW-INCOME PERSONS § 440.24 Recordkeeping. Each...

10 CFR 440.24 - Recordkeeping.

Code of Federal Regulations, 2011 CFR

2011-01-01

... for such project or program not supplied by DOE, the average costs incurred in weatherization of individual dwelling units, the average size of the dwelling being weatherized, the average income of... ENERGY ENERGY CONSERVATION WEATHERIZATION ASSISTANCE FOR LOW-INCOME PERSONS § 440.24 Recordkeeping. Each...

Progress on Establishing the Feasibility of Lead Slowing Down Spectroscopy for Direct Measurement of Plutonium in Used Fuel

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

Kulisek, Jonathan A.; Anderson, Kevin K.; Bowyer, Sonya M.

2012-07-19

Developing a method for the accurate, direct, and independent assay of the fissile isotopes in bulk materials (such as used fuel) of next-generation domestic nuclear fuel cycles is a goal of the Office of Nuclear Energy, Fuel Cycle R&D, Material Protection and Control Technology (MPACT) Campaign. To meet this goal, MPACT continues to support a multi-institutional collaboration to address the feasibility of Lead Slowing Down Spectroscopy (LSDS) as an active nondestructive assay method that has the potential to provide independent, direct measurement of Pu and U isotopic masses in used fuel with an uncertainty considerably lower than the approximately 10%more » typical of today’s confirmatory assay methods. An LSDS is comprised of a stack of lead (typically 1-6 m3) in which materials to be measured are placed in the lead and a pulse of neutrons is injected. The neutrons in this pulse lose energy due to inelastic and (subsequently) elastic scattering and the average energy of the neutrons decreases as the time increases by a well-defined relationship. In the interrogation energy region (~0.1-1000 eV) the neutrons have little energy spread (~30%) about the average neutron energy. Due to this characteristic, the energy of the (assay) neutrons can then be determined by measuring the time elapsed since the neutron pulse. By measuring the induced fission neutrons emitted from the used fuel, it is possible to determine isotopic-mass content by unfolding the unique structure of isotopic resonances across the interrogation energy region. This paper will present efforts on the development of time-spectral analysis algorithms, fast neutron detector advances, and validation and testing measurements.« less

The Use of Statistical Downscaling to Project Regional Climate Changes as they Relate to Future Energy Production

NASA Astrophysics Data System (ADS)

Werth, D. W.; O'Steen, L.; Chen, K.; Altinakar, M. S.; Garrett, A.; Aleman, S.; Ramalingam, V.

2010-12-01

Global climate change has the potential for profound impacts on society, and poses significant challenges to government and industry in the areas of energy security and sustainability. Given that the ability to exploit energy resources often depends on the climate, the possibility of climate change means we cannot simply assume that the untapped potential of today will still exist in the future. Predictions of future climate are generally based on global climate models (GCMs) which, due to computational limitations, are run at spatial resolutions of hundreds of kilometers. While the results from these models can predict climatic trends averaged over large spatial and temporal scales, their ability to describe the effects of atmospheric phenomena that affect weather on regional to local scales is inadequate. We propose the use of several optimized statistical downscaling techniques that can infer climate change at the local scale from coarse resolution GCM predictions, and apply the results to assess future sustainability for two sources of energy production dependent on adequate water resources: nuclear power (through the dissipation of waste heat from cooling towers, ponds, etc.) and hydroelectric power. All methods will be trained with 20th century data, and applied to data from the years 2040-2049 to get the local-scale changes. Models of cooling tower operation and hydropower potential will then use the downscaled data to predict the possible changes in energy production, and the implications of climate change on plant siting, design, and contribution to the future energy grid can then be examined.

Projecting Wind Energy Potential Under Climate Change with Ensemble of Climate Model Simulations

NASA Astrophysics Data System (ADS)

Jain, A.; Shashikanth, K.; Ghosh, S.; Mukherjee, P. P.

2013-12-01

Recent years have witnessed an increasing global concern over energy sustainability and security, triggered by a number of issues, such as (though not limited to): fossil fuel depletion, energy resource geopolitics, economic efficiency versus population growth debate, environmental concerns and climate change. Wind energy is a renewable and sustainable form of energy in which wind turbines convert the kinetic energy of wind into electrical energy. Global warming and differential surface heating may significantly impact the wind velocity and hence the wind energy potential. Sustainable design of wind mills requires understanding the impacts of climate change on wind energy potential, which we evaluate here with multiple General Circulation Models (GCMs). GCMs simulate the climate variables globally considering the greenhouse emission scenarios provided as Representation Concentration path ways (RCPs). Here we use new generation climate model outputs obtained from Coupled model Intercomparison Project 5(CMIP5). We first compute the wind energy potential with reanalysis data (NCEP/ NCAR), at a spatial resolution of 2.50, where the gridded data is fitted to Weibull distribution and with the Weibull parameters, the wind energy densities are computed at different grids. The same methodology is then used, to CMIP5 outputs (resultant of U-wind and V-wind) of MRI, CMCC, BCC, CanESM, and INMCM4 for historical runs. This is performed separately for four seasons globally, MAM, JJA, SON and DJF. We observe the muti-model average of wind energy density for historic period has significant bias with respect to that of reanalysis product. Here we develop a quantile based superensemble approach where GCM quantiles corresponding to selected CDF values are regressed to reanalysis data. It is observed that this regression approach takes care of both, bias in GCMs and combination of GCMs. With superensemble, we observe that the historical wind energy density resembles quite well with reanalysis/ observed output. We apply the same for future under RCP scenarios. We observe spatially and temporally varying global change of wind energy density. The underlying assumption is that the regression relationship will also hold good for future. The results highlight the needs to change the design standards of wind mills at different locations, considering climate change and at the same time the requirement of height modifications for existing mills to produce same energy in future.

The abundances of hydrogen, helium, oxygen, and iron accelerated in large solar particle events

NASA Technical Reports Server (NTRS)

Mazur, J. E.; Mason, G. M.; Klecker, B.; Mcguire, R. E.

1993-01-01

Energy spectra measured in 10 large flares with the University of Maryland/Max-Planck-Institut sensors on ISEE I and Goddard Space Flight Center sensors on IMP 8 allowed us to determine the average H, He, O, and Fe abundances as functions of energy in the range of about 0.3-80 MeV/nucleon. Model fits to the spectra of individual events using the predictions of a steady state stochastic acceleration model with rigidity-dependent diffusion provided a means of interpolating small portions of the energy spectra not measured with the instrumentation. Particles with larger mass-to-charge ratios were relatively less abundant at higher energies in the flare-averaged composition. The Fe/O enhancement at low SEP energies was less than the Fe/O ratios observed in He-3-rich flares. Unlike the SEP composition averaged above 5 MeV/nucleon, the average SEP abundances above 0.3 MeV/nucleon were similar to the average solar wind.

Field Assessment of Energy Audit Tools for Retrofit Programs

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

Edwards, J.; Bohac, D.; Nelson, C.

2013-07-01

This project focused on the use of home energy ratings as a tool to promote energy retrofits in existing homes. A home energy rating provides a quantitative appraisal of a home's asset performance, usually compared to a benchmark such as the average energy use of similar homes in the same region. Home rating systems can help motivate homeowners in several ways. Ratings can clearly communicate a home's achievable energy efficiency potential, provide a quantitative assessment of energy savings after retrofits are completed, and show homeowners how they rate compared to their neighbors, thus creating an incentive to conform to amore » social standard. An important consideration is how rating tools for the retrofit market will integrate with existing home energy service programs. For residential programs that target energy savings only, home visits should be focused on key efficiency measures for that home. In order to gain wide adoption, a rating tool must be easily integrated into the field process, demonstrate consistency and reasonable accuracy to earn the trust of home energy technicians, and have a low monetary cost and time hurdle for homeowners. Along with the Home Energy Score, this project also evaluated the energy modeling performance of SIMPLE and REM/Rate.« less

Worldline approach for numerical computation of electromagnetic Casimir energies: Scalar field coupled to magnetodielectric media

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

Mackrory, Jonathan B.; Bhattacharya, Tanmoy; Steck, Daniel A.

Here, we present a worldline method for the calculation of Casimir energies for scalar fields coupled to magnetodielectric media. The scalar model we consider may be applied in arbitrary geometries, and it corresponds exactly to one polarization of the electromagnetic field in planar layered media. Starting from the field theory for electromagnetism, we work with the two decoupled polarizations in planar media and develop worldline path integrals, which represent the two polarizations separately, for computing both Casimir and Casimir-Polder potentials. We then show analytically that the path integrals for the transverse-electric polarization coupled to a dielectric medium converge to themore » proper solutions in certain special cases, including the Casimir-Polder potential of an atom near a planar interface, and the Casimir energy due to two planar interfaces. We also evaluate the path integrals numerically via Monte Carlo path-averaging for these cases, studying the convergence and performance of the resulting computational techniques. Lastly, while these scalar methods are only exact in particular geometries, they may serve as an approximation for Casimir energies for the vector electromagnetic field in other geometries.« less

Worldline approach for numerical computation of electromagnetic Casimir energies: Scalar field coupled to magnetodielectric media

DOE PAGES

Mackrory, Jonathan B.; Bhattacharya, Tanmoy; Steck, Daniel A.

2016-10-12

Here, we present a worldline method for the calculation of Casimir energies for scalar fields coupled to magnetodielectric media. The scalar model we consider may be applied in arbitrary geometries, and it corresponds exactly to one polarization of the electromagnetic field in planar layered media. Starting from the field theory for electromagnetism, we work with the two decoupled polarizations in planar media and develop worldline path integrals, which represent the two polarizations separately, for computing both Casimir and Casimir-Polder potentials. We then show analytically that the path integrals for the transverse-electric polarization coupled to a dielectric medium converge to themore » proper solutions in certain special cases, including the Casimir-Polder potential of an atom near a planar interface, and the Casimir energy due to two planar interfaces. We also evaluate the path integrals numerically via Monte Carlo path-averaging for these cases, studying the convergence and performance of the resulting computational techniques. Lastly, while these scalar methods are only exact in particular geometries, they may serve as an approximation for Casimir energies for the vector electromagnetic field in other geometries.« less

Spectral decomposition of regulatory thresholds for climate-driven fluctuations in hydro- and wind power availability

NASA Astrophysics Data System (ADS)

Wörman, A.; Bottacin-Busolin, A.; Zmijewski, N.; Riml, J.

2017-08-01

Climate-driven fluctuations in the runoff and potential energy of surface water are generally large in comparison to the capacity of hydropower regulation, particularly when hydropower is used to balance the electricity production from covarying renewable energy sources such as wind power. To define the bounds of reservoir storage capacity, we introduce a dedicated reservoir volume that aggregates the storage capacity of several reservoirs to handle runoff from specific watersheds. We show how the storage bounds can be related to a spectrum of the climate-driven modes of variability in water availability and to the covariation between water and wind availability. A regional case study of the entire hydropower system in Sweden indicates that the longest regulation period possible to consider spans from a few days of individual subwatersheds up to several years, with an average limit of a couple of months. Watershed damping of the runoff substantially increases the longest considered regulation period and capacity. The high covariance found between the potential energy of the surface water and wind energy significantly reduces the longest considered regulation period when hydropower is used to balance the fluctuating wind power.

A new ab initio potential energy surface for the NH-He complex

NASA Astrophysics Data System (ADS)

Ramachandran, R.; Kłos, J.; Lique, F.

2018-02-01

We present a new three-dimensional potential energy surface (PES) for the NH(X3Σ-)-He van der Waals system, which explicitly takes into account the NH vibrational motion. The NH-He PES was obtained using the open-shell single- and double-excitation coupled cluster approach with non-iterative perturbational treatment of triple excitations. The augmented correlation-consistent aug-cc-pVXZ (X = Q, 5, 6) basis sets were employed, and the energies obtained were then extrapolated to the complete basis set limit. Using this new PES, we have studied the spectroscopy of the NH-He complex and we have determined a new rotational constant that agrees well with the available experimental data. Collisional excitation of NH(X3Σ-) by He was also studied at the close-coupling level. Calculations of the collisional excitation cross sections of the fine-structure levels of NH by He were performed for energies up to 3500 cm-1, which yield, after thermal average, rate coefficients up to 350 K. The calculated rate coefficients are compared with available experimental measurements at room temperature, and a reasonably good agreement is found between experimental and theoretical data.

Demand-driven biogas production by flexible feeding in full-scale - Process stability and flexibility potentials.

PubMed

Mauky, Eric; Weinrich, Sören; Jacobi, Hans-Fabian; Nägele, Hans-Joachim; Liebetrau, Jan; Nelles, Michael

2017-08-01

For future energy supply systems with high proportions from renewable energy sources, biogas plants are a promising option to supply demand-driven electricity to compensate the divergence between energy demand and energy supply by uncontrolled sources like wind and solar. Apart expanding gas storage capacity a demand-oriented feeding with the aim of flexible gas production can be an effective alternative. The presented study demonstrated a high degree of intraday flexibility (up to 50% compared to the average) and a potential for an electricity shutdown of up to 3 days (decreasing gas production by more than 60%) by flexible feeding in full-scale. Furthermore, the long-term process stability was not affected negatively due to the flexible feeding. The flexible feeding resulted in a variable rate of gas production and a dynamic progression of individual acids and the respective pH-value. In consequence, a demand-driven biogas production may enable significant savings in terms of the required gas storage volume (up to 65%) and permit far greater plant flexibility compared to constant gas production. Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.

Kinetic energy dependence of carrier diffusion in a GaAs epilayer studied by wavelength selective PL imaging

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

Zhang, S.; Su, L. Q.; Kon, J.

Photoluminescence (PL) imaging has been shown to be an efficient technique for investigating carrier diffusion in semiconductors. In the past, the measurement was typically carried out by measuring at one wavelength (e.g., at the band gap) or simply the whole emission band. At room temperature in a semiconductor like GaAs, the band-to-band PL emission may occur in a spectral range over 200 meV, vastly exceeding the average thermal energy of about 26 meV. To investigate the potential dependence of the carrier diffusion on the carrier kinetic energy, we performed wavelength selective PL imaging on a GaAs double hetero-structure in amore » spectral range from about 70 meV above to 50 meV below the bandgap, extracting the carrier diffusion lengths at different PL wavelengths by fitting the imaging data to a theoretical model. The results clearly show that the locally generated carriers of different kinetic energies mostly diffuse together, maintaining the same thermal distribution throughout the diffusion process. Potential effects related to carrier density, self-absorption, lateral wave-guiding, and local heating are also discussed.« less

Design and realization of an energy harvester using pulsating arterial pressure.

PubMed

Pfenniger, Alois; Wickramarathna, Lalith N; Vogel, Rolf; Koch, Volker M

2013-09-01

Most medical implants run on batteries, which require costly and tedious replacement or recharging. It is believed that micro-generators utilizing intracorporeal energy could solve these problems. However, such generators do not, at this time, meet the energy requirements of medical implants.This paper highlights some essential aspects of designing and implementing a power source that scavenges energy from arterial expansion and contraction to operate an implanted medical device. After evaluating various potentially viable transduction mechanisms, the fabricated prototype employs an electromagnetic transduction mechanism. The artery is inserted into a laboratory-fabricated flexible coil which is permitted to freely deform in a magnetic field. This work also investigates the effects of the arterial wall's material properties on energy harvesting potential. For that purpose, two types of arteries (Penrose X-ray tube, which behave elastically, and an artery of a Göttinger minipig, which behaves viscoelastically) were tested. No noticeable difference could be observed between these two cases. For the pig artery, average harvestable power was 42 nW. Moreover, peak power was 2.38 μW. Both values are higher than those of the current state of the art (6 nW/16 nW). A theoretical modelling of the prototype was developed and compared to the experimental results. Copyright © 2013 IPEM. Published by Elsevier Ltd. All rights reserved.

HCl dissociating on a rigid Au(111) surface: A six-dimensional quantum mechanical study on a new potential energy surface based on the RPBE functional.

PubMed

Liu, Tianhui; Fu, Bina; Zhang, Dong H

2017-04-28

The dissociative chemisorption of HCl on the Au(111) surface has recently been an interesting and important subject, regarding the discrepancy between the theoretical dissociation probabilities and the experimental sticking probabilities. We here constructed an accurate full-dimensional (six-dimensional (6D)) potential energy surface (PES) based on the density functional theory (DFT) with the revised Perdew-Burke-Ernzerhof (RPBE) functional, and performed 6D quantum mechanical (QM) calculations for HCl dissociating on a rigid Au(111) surface. The effects of vibrational excitations, rotational orientations, and site-averaging approximation on the present RPBE PES are investigated. Due to the much higher barrier height obtained on the RPBE PES than on the PW91 PES, the agreement between the present theoretical and experimental results is greatly improved. In particular, at the very low kinetic energy, the QM-RPBE dissociation probability agrees well with the experimental data. However, the computed QM-RPBE reaction probabilities are still markedly different from the experimental values at most of the energy regions. In addition, the QM-RPBE results achieve good agreement with the recent ab initio molecular dynamics calculations based on the RPBE functional at high kinetic energies.

Potential environmental and human health impacts of rechargeable lithium batteries in electronic waste.

PubMed

Kang, Daniel Hsing Po; Chen, Mengjun; Ogunseitan, Oladele A

2013-05-21

Rechargeable lithium-ion (Li-ion) and lithium-polymer (Li-poly) batteries have recently become dominant in consumer electronic products because of advantages associated with energy density and product longevity. However, the small size of these batteries, the high rate of disposal of consumer products in which they are used, and the lack of uniform regulatory policy on their disposal means that lithium batteries may contribute substantially to environmental pollution and adverse human health impacts due to potentially toxic materials. In this research, we used standardized leaching tests, life-cycle impact assessment (LCIA), and hazard assessment models to evaluate hazardous waste classification, resource depletion potential, and toxicity potentials of lithium batteries used in cellphones. Our results demonstrate that according to U.S. federal regulations, defunct Li-ion batteries are classified hazardous due to their lead (Pb) content (average 6.29 mg/L; σ = 11.1; limit 5). However, according to California regulations, all lithium batteries tested are classified hazardous due to excessive levels of cobalt (average 163,544 mg/kg; σ = 62,897; limit 8000), copper (average 98,694 mg/kg; σ = 28,734; limit 2500), and nickel (average 9525 mg/kg; σ = 11,438; limit 2000). In some of the Li-ion batteries, the leached concentrations of chromium, lead, and thallium exceeded the California regulation limits. The environmental impact associated with resource depletion and human toxicity is mainly associated with cobalt, copper, nickel, thallium, and silver, whereas the ecotoxicity potential is primarily associated with cobalt, copper, nickel, thallium, and silver. However, the relative contribution of aluminum and lithium to human toxicity and ecotoxicity could not be estimated due to insufficient toxicity data in the models. These findings support the need for stronger government policy at the local, national, and international levels to encourage recovery, recycling, and reuse of lithium battery materials.

Potential Environmental and Human Health Impacts of Rechargeable Lithium Batteries in Electronic Waste

PubMed Central

Kang, Daniel Hsing Po; Chen, Mengjun; Ogunseitan, Oladele A.

2013-01-01

Rechargeable lithium-ion (Li-ion) and lithium-polymer (Li-poly) batteries have recently become dominant in consumer electronic products because of advantages associated with energy density and product longevity. However, the small size of these batteries, the high rate of disposal of consumer products in which they are used, and the lack of uniform regulatory policy on their disposal means that lithium batteries may contribute substantially to environmental pollution and adverse human health impacts due to potentially toxic materials. In this research, we used standardized leaching tests, life-cycle impact assessment (LCIA), and hazard assessment models to evaluate hazardous waste classification, resource depletion potential, and toxicity potentials of lithium batteries used in cellphones. Our results demonstrate that according to U.S. federal regulations, defunct Li-ion batteries are classified hazardous due to their lead (Pb) content (average 6.29 mg/L; σ = 11.1; limit 5). However, according to California regulations, all lithium batteries tested are classified hazardous due to excessive levels of cobalt (average 163 544 mg/kg; σ = 62 897; limit 8000), copper (average 98 694 mg/kg; σ = 28 734; limit 2500), and nickel (average 9525 mg/kg; σ = 11 438; limit 2000). In some of the Li-ion batteries, the leached concentrations of chromium, lead, and thallium exceeded the California regulation limits. The environmental impact associated with resource depletion and human toxicity is mainly associated with cobalt, copper, nickel, thallium, and silver, whereas the ecotoxicity potential is primarily associated with cobalt, copper, nickel, thallium, and silver. However, the relative contribution of aluminum and lithium to human toxicity and ecotoxicity could not be estimated due to insufficient toxicity data in the models. These findings support the need for stronger government policy at the local, national, and international levels to encourage recovery, recycling, and reuse of lithium battery materials. PMID:23638841

Characterization of CNT-MnO{sub 2} nanocomposite by electrophoretic deposition as potential electrode for supercapacitor

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

Darari, Alfin, E-mail: alfindarari@st.fisika.undip.ac.id; Rismaningsih, Nurmanita; Ardiansah, Hafidh Rahman

Energy crisis that occured in Indonesia suggests that energy supply could not offset the high rate request and needs an electric energy saving device which can save high voltage, safety, and unlimited lifetime. The weakness of batteries is durable but has a low power density while the capacitor has a high power density but it doesn’t durable. The renewal of this study is CNT-MnO{sub 2} thin film fabrication method using electrophoretic deposition. Electrophoretic deposition is a newest method to deposited CNT using power supply with cheap, and make a good result. The result of FTIR analysis showed that the bestmore » CNT-MnO{sub 2} composition is 75:25 and C-C bond is detected in fingerprint area. The result is electrode thin film homogen and characterized by X-ray diffraction (XRD) peaks 2θ=26,63° is characterization of graphite, and 2θ=43,97° is characterization of diamond Carbon type and measured by Scherrer formula results 52,3 nm material average size .EIS test results its capacitance about 7,86 F. from the data it can be concluded that CNT-MnO{sub 2} potential electrode very promising for further study and has a potential to be a high capacitance, and fast charge supercapacitor which can be applied for electronic devices, energy converter, even electric car.« less

Thermokinetic analysis and product characterization of Medium Density Fiberboard pyrolysis.

PubMed

Aslan, Dilan Irmak; Özoğul, Buğçe; Ceylan, Selim; Geyikçi, Feza

2018-06-01

This study investigates the pyrolysis of Medium Density Fiberboard (MDF) as a potential waste management solution. Thermal behaviour of MDF was analysed via TG/DSC. The primary decomposition step occurred between 190 °C and 425 °C. Evolved gaseous products over this step were evaluated by a FTIR spectrometer coupled with TGA. Peaks for phenolic, alcohols and aldehydes were detected at the maximum decomposition temperature. Py-GC/MS analysis revealed phenols, ketones and cyclic compounds as the primary non-condensable pyrolysis products. The kinetics of pyrolysis were investigated by the widely applied Distributed Activation Energy Model, resulting in an average activation energy and pre-exponential factor of 127.40 kJ mol -1 and 8.4E+11. The results of this study suggest that pyrolyzing MDF could potentially provide renewable fuels and prevent environmental problems related with MDF disposal. Copyright © 2018 Elsevier Ltd. All rights reserved.

Photovoltaics as a terrestrial energy source. Volume 2: System value

NASA Technical Reports Server (NTRS)

Smith, J. L.

1980-01-01

Assumptions and techniques employed by the electric utility industry and other electricity planners to make estimates of the future value of photovoltaic (PV) systems interconnected with U.S. electric utilities were examined. Existing estimates of PV value and their interpretation and limitations are discussed. PV value is defined as the marginal private savings accruing to potential PV owners. For utility-owned PV systems, these values are shown to be the after-tax savings in conventional fuel and capacity displaced by the PV output. For non-utility-owned (distributed) systems, the utility's savings in fuel and capacity must first be translated through the electric rate structure (prices) to the potential PV system owner. Base-case estimates of the average value of PV systems to U.S. utilities are presented. The relationship of these results to the PV Program price goals and current energy policy is discussed; the usefulness of PV output quantity goals is also reviewed.

All the adiabatic bound states of NO{sub 2}

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

Salzgeber, R.F.; Mandelshtam, V.; Schlier, C.

1998-07-01

We calculated all 2967 even and odd bound states of the adiabatic ground state of NO{sub 2}, using a modification of the abthinspinitio potential energy surface of Leonardi {ital et al.} [J. Chem. Phys. {bold 105}, 9051 (1996)]. The calculation was performed by harmonic inversion of the Chebyshev correlation function generated by a DVR Hamiltonian in Radau coordinates. The relative error for the computed eigenenergies (measured from the potential minimum), is 10{sup {minus}4} or better, corresponding to an absolute error of less than about 2.5thinspcm{sup {minus}1}. Near the dissociation threshold the average density of states is about 0.2/cm{sup {minus}1} formore » each symmetry. Statistical analysis of the states shows some interesting structure of the rigidity parameter {Delta}{sub 3} as a function of energy. {copyright} {ital 1998 American Institute of Physics.}« less

16 CFR 305.10 - Ranges of comparability on the required labels.

Code of Federal Regulations, 2014 CFR

2014-01-01

... cost. The Representative Average Unit Energy Cost figures to be used on labels as required by § 305.11... Commission shall publish revised Representative Average Unit Energy Cost figures in the Federal Register in... ACTS OF CONGRESS ENERGY AND WATER USE LABELING FOR CONSUMER PRODUCTS UNDER THE ENERGY POLICY AND...

3D Concrete Printing Concept Could Solve Tall-Wind Dilemma

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

Cotrell, Jason; Jenne, Scott; Butterfield, Sandy

When building a wind turbine, you want to make it as tall as possible to capture stronger, faster winds aloft. But taller tower bases become too large to be transported over the road—a constraint that has kept average U.S. wind turbine heights at 80 meters for the last 10 years. A Lab-Corps project undertaken by the National Renewable Energy Laboratory has found a potential solution: automated concrete manufacturing.

Charging and discharging characteristics of dielectric materials exposed to low- and mid-energy electrons

NASA Technical Reports Server (NTRS)

Coakley, P.; Kitterer, B.; Treadaway, M.

1982-01-01

Charging and discharging characteristics of dielectric samples exposed to 1-25 keV and 25-100 keV electrons in a laboratory environment are reported. The materials examined comprised OSR, Mylar, Kapton, perforated Kapton, and Alphaquartz, serving as models for materials employed on spacecraft in geosynchronous orbit. The tests were performed in a vacuum chamber with electron guns whose beams were rastered over the entire surface of the planar samples. The specimens were examined in low-impedance-grounded, high-impedance-grounded, and isolated configurations. The worst-case and average peak discharge currents were observed to be independent of the incident electron energy, the time-dependent changes in the worst case discharge peak current were independent of the energy, and predischarge surface potentials are negligibly dependent on incident monoenergetic electrons.

Average bond energies between boron and elements of the fourth, fifth, sixth, and seventh groups of the periodic table

NASA Technical Reports Server (NTRS)

Altshuller, Aubrey P

1955-01-01

The average bond energies D(gm)(B-Z) for boron-containing molecules have been calculated by the Pauling geometric-mean equation. These calculated bond energies are compared with the average bond energies D(exp)(B-Z) obtained from experimental data. The higher values of D(exp)(B-Z) in comparison with D(gm)(B-Z) when Z is an element in the fifth, sixth, or seventh periodic group may be attributed to resonance stabilization or double-bond character.

Direct Determination of the Equilibrium Unbinding Potential Profile for a Short DNA Duplex from Force Spectroscopy Data

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

Noy, A

2004-05-04

Modern force microscopy techniques allow researchers to use mechanical forces to probe interactions between biomolecules. However, such measurements often happen in non-equilibrium regime, which precludes straightforward extraction of the equilibrium energy information. Here we use the work averaging method based on Jarzynski equality to reconstruct the equilibrium interaction potential from the unbinding of a complementary 14-mer DNA duplex from the results of non-equilibrium single-molecule measurements. The reconstructed potential reproduces most of the features of the DNA stretching transition, previously observed only in equilibrium stretching of long DNA sequences. We also compare the reconstructed potential with the thermodynamic parameters of DNAmore » duplex unbinding and show that the reconstruction accurately predicts duplex melting enthalpy.« less

[Optimization of Energy Saving Measures with ABR-MBR Integrated Process].

PubMed

Wu, Peng; Lu, Shuang-jun; Xu, Yue-zhong; Liu, Jie; Shen, Yao-liang

2015-08-01

High energy consumption and membrane fouling are important factors that limit the wide use of membrane bioreactor (MBR). In order to reduce energy consumption and delay the process of membrane fouling, the process of anaerobic baffled reactor (ABR)-MBR was used to treat domestic sewage. The structure of the process and conditions of nitrogen and phosphorus removal were optimized in this study. The results showed that energy consumption was reduced by 43% through optimizing the structure of ABR-MBR process. Meanwhile, the process achieved a high level of COD, NH: -N, TN and TP removal, with the average removal efficiencies of 91%, 85%, 76% and 86%, respectively. In addition, the added particulate media could effectively delay membrane fouling, while the formation process of membrane fouling was changed. The extracted amount of carbohydrates increased while the amount of proteins decreased. Finally, the potential was enhanced for the practical application of MBR.

Analysis of data from Viking RPA's

NASA Technical Reports Server (NTRS)

Hanson, W. B.

1981-01-01

Measurements of the martian ionosphere performed by Viking Retarding Potential Analyzer (RPA) are reported. Viking RPA measurements of low energy electron fluxes out to 16,000 km above the Mars surface are discussed including both energy spectra and periods of continuous monitoring of the total flux above 15 ev. The mean electron current at energies greater than ev increases montonically by nearly two orders of magnitude from about 9000 km down to 700 km, but no clear signature of the bow shock is seen. The total wave power in the 2 sec measurement intervals for this current does, however, show a broad peak near 1700 km altitude. These variations in the low energy electron fluxes are related to whistler mode oscillations in the solar wind plasma. It is concluded that there may be a highly turbulent shock structure that masks a clear signature of the bow shock in the time averaged data.

Design, modeling and testing of a one-way energy harvesting backpack

NASA Astrophysics Data System (ADS)

Mi, Jia; Xu, Lin; Zhu, Ziheng; Liu, Mingyi; Zuo, Lei

2018-04-01

During trips and outdoor adventures, there are a lot of electric equipment and thus power supply for those devices is critical. At the same time, the burden on shoulders from heavy baggage is substantial. This paper presents a one-way energy harvesting backpack with ball-screw mechanism to generate electricity with high efficiency and reliability, while relieves the burden on shoulders. The one-way energy harvesting method only harvests negative work from human body and potentially reduce metabolic cost while carrying backpack. Simulations show that 4.5W of electrical energy can be obtained from human walking. Bench test results indicate this system can obtain an average power of 7.3 W with excitation of 2Hz and 25mm direct drive. Treadmill test to verify the performance of burden relieve on shoulders indicates this one-way design combing with elastic support strap can reduce the force on shoulders, which reduce fatigue in human.

Measurement of the adsorption energy difference between ortho- and para-D2 on an amorphous ice surface.

PubMed

Amiaud, L; Momeni, A; Dulieu, F; Fillion, J H; Matar, E; Lemaire, J-L

2008-02-08

Molecular hydrogen interaction on water ice surfaces is a major process taking place in interstellar dense clouds. By coupling laser detection and classical thermal desorption spectroscopy, it is possible to study the effect of rotation of D(2) on adsorption on amorphous solid water ice surfaces. The desorption profiles of ortho- and para-D(2) are different. This difference is due to a shift in the adsorption energy distribution of the two lowest rotational states. Molecules in J''=1 rotational state are on average more strongly bound to the ice surface than those in J''=0 rotational state. This energy difference is estimated to be 1.4+/-0.3 meV. This value is in agreement with previous calculation and interpretation. The nonspherical wave function J'' =1 has an interaction with the asymmetric part of the adsorption potential and contributes positively in the binding energy.

Clothes Dryer Automatic Termination Evaluation

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

TeGrotenhuis, Ward E.

Volume 2: Improved Sensor and Control Designs Many residential clothes dryers on the market today provide automatic cycles that are intended to stop when the clothes are dry, as determined by the final remaining moisture content (RMC). However, testing of automatic termination cycles has shown that many dryers are susceptible to over-drying of loads, leading to excess energy consumption. In particular, tests performed using the DOE Test Procedure in Appendix D2 of 10 CFR 430 subpart B have shown that as much as 62% of the energy used in a cycle may be from over-drying. Volume 1 of this reportmore » shows an average of 20% excess energy from over-drying when running automatic cycles with various load compositions and dryer settings. Consequently, improving automatic termination sensors and algorithms has the potential for substantial energy savings in the U.S.« less

Impacts of population growth and economic development on the nitrogen cycle in Asia.

PubMed

Zhu, Zhaoliang; Xiong, Guangxi; Xing, Zhengqin

2005-12-01

Asia is the major consumer of fertilizer nitrogen and energy in the world, and consequently shares a considerable proportion of the world creation of reactive nitrogen (Nr). However, if estimated on per capita basis, Asia is characterized by a lower arable land area, fertilizer nitrogen consumption, energy consumption, and gross domestic product, as well as lower daily protein intake. To meet the increasing needs for food and energy for the growing population combined with the improvement of living standards, Nr will inevitably increase. The present study estimates the creation of Nr and the emissions of various N compounds into environment in Asia currently and in 2030. In comparison with the world averages, the lower fertilizer nitrogen and energy use efficiencies, and the lower use of animal wastes for agriculture imply that there is potential for moderating the increase in Nr and its impacts on the environment. Strategies for moderating the increase are discussed.

Impacts of population growth and economic development on the nitrogen cycle in Asia.

PubMed

Zhu, Zhaoliang; Xiong, Zhengqin; Xing, Guangxi

2005-09-01

Asia is the major consumer of fertilizer nitrogen and energy in the world, and consequently shares a considerable proportion of the world creation of reactive nitrogen (Nr). However, if estimated on per capita basis, Asia is characterized by a lower arable land area, fertilizer nitrogen consumption, energy consumption, and gross domestic product, as well as lower daily protein intake. To meet the increasing needs for food and energy for the growing population combined with the improvement of living standards, Nr will inevitably increase. The present study estimates the creation of Nr and the emissions of various N compounds into environment in Asia currently and in 2030. In comparison with the world averages, the lower fertilizer nitrogen and energy use efficiencies, and the lower use of animal wastes for agriculture imply that there is potential for moderating the increase in Nr and its impacts on the environment. Strategies for moderating the increase are discussed.

Tapping hidden hydropower potential in Swiss Alpine catchments in the context of the planned nuclear power phase out

NASA Astrophysics Data System (ADS)

Santos, Ana Clara; Schaefli, Bettina; Manso, Pedro; Schleiss, Anton; Portela, Maria Manuela; Rinaldo, Andrea

2015-04-01

In its Energy Strategy 2050, Switzerland is revising its energy perspectives with a strong focus on renewable sources of energy and in particular hydropower. In this context, the Swiss Government funded a number of competence centers for energy research (SCCERs), including one on the Supply of Energy (SCCER-SoE), which develops fundamental research and innovative solutions in geoenergies and hydropower . Hydropower is already the major energy source in Switzerland, corresponding to approximately 55% of the total national electricity production (which was 69 TWh in 2014). The Energy Strategy 2050 foresees at least a net increase by 1.53 TWh/year in average hydrological conditions, in a context were almost all major river systems are already exploited and a straightforward application of recent environmental laws will impact (reduce) current hydropower production. In this contribution, we present the roadmap of the SCCER-SoE and an overview of our strategy to unravel currently non-exploited hydropower potential, in particular in river systems that are already used for hydropower production. The aim is hereby to quantify non-exploited natural flows, unnecessary water spills or storage volume deficits, whilst considering non-conventional approaches to water resources valuation and management. Such a better understanding of the current potential is paramount to justify future scenarios of adaptation of the existing hydropower infrastructure combining the increase of storage capacity with new connections between existing reservoirs, heightening or strengthening existing dams, increasing the operational volume of natural lakes (including new glacier lakes), or by building new dams. Tapping hidden potential shall also require operational changes to benefit from new flow patterns emerging under an evolving climate and in particular in the context of the ongoing glacier retreat. The paper shall present a broad view over the mentioned issues and first conclusions of ongoing research at the country scale.

Water 16-mers and hexamers: assessment of the three-body and electrostatically embedded many-body approximations of the correlation energy or the nonlocal energy as ways to include cooperative effects.

PubMed

Qi, Helena W; Leverentz, Hannah R; Truhlar, Donald G

2013-05-30

This work presents a new fragment method, the electrostatically embedded many-body expansion of the nonlocal energy (EE-MB-NE), and shows that it, along with the previously proposed electrostatically embedded many-body expansion of the correlation energy (EE-MB-CE), produces accurate results for large systems at the level of CCSD(T) coupled cluster theory. We primarily study water 16-mers, but we also test the EE-MB-CE method on water hexamers. We analyze the distributions of two-body and three-body terms to show why the many-body expansion of the electrostatically embedded correlation energy converges faster than the many-body expansion of the entire electrostatically embedded interaction potential. The average magnitude of the dimer contributions to the pairwise additive (PA) term of the correlation energy (which neglects cooperative effects) is only one-half of that of the average dimer contribution to the PA term of the expansion of the total energy; this explains why the mean unsigned error (MUE) of the EE-PA-CE approximation is only one-half of that of the EE-PA approximation. Similarly, the average magnitude of the trimer contributions to the three-body (3B) term of the EE-3B-CE approximation is only one-fourth of that of the EE-3B approximation, and the MUE of the EE-3B-CE approximation is one-fourth that of the EE-3B approximation. Finally, we test the efficacy of two- and three-body density functional corrections. One such density functional correction method, the new EE-PA-NE method, with the OLYP or the OHLYP density functional (where the OHLYP functional is the OptX exchange functional combined with the LYP correlation functional multiplied by 0.5), has the best performance-to-price ratio of any method whose computational cost scales as the third power of the number of monomers and is competitive in accuracy in the tests presented here with even the electrostatically embedded three-body approximation.

An electron linac-based system for BNCT of shallow tumors

NASA Astrophysics Data System (ADS)

Farhad Masoudi, S.; Ghiasi, Hedieh; Harif, Maryam; Rasouli, Fatemeh S.

2018-07-01

Although BNCT has been in existence since the 1950s, it continues to be of special significant and interest for wide groups of researchers. Recent studies, focused on investigating appropriate neutron sources as alternatives for nuclear reactors, revealed the high potential of electron linac-based facilities to improve the efficiency of this treatment method. The present simulation study has been devoted to both designing an optimized and geometrically simple target to be used as a photoneutron source based on an electron linac and designing a configuration composed of arrangement of materials to generate an appropriate beam for BNCT of shallow tumors considering the widely accepted criteria for pre-clinical survey. It has been found that the behavior of photoneutrons' current and their average energy on the surface of the target is independent of the incident energy. Accordingly, we managed to present a formula to predict the average energy of photoneutrons knowing the electron energy to an acceptable approximation avoiding Monte Carlo simulations. Considering the conflict between the beam intensity and its purity in the whole beam designing process, an optimized beam shaping assembly for electron linac of 18 MeV/ mA has been proposed. These results in essence confirm the ability of these sources for BNCT of shallow tumors and are therefore encouraging for further studies. Furthermore, the results show that this configuration, which the corresponding beam fulfills all the medical requirements, is also usable for electron linacs of other energies. This can be of high importance in practical point of view.

Analysis of the time-varying energy of brain responses to an oddball paradigm using short-term smoothed Wigner-Ville distribution.

PubMed

Tağluk, M E; Cakmak, E D; Karakaş, S

2005-04-30

Cognitive brain responses to external stimuli, as measured by event related potentials (ERPs), have been analyzed from a variety of perspectives to investigate brain dynamics. Here, the brain responses of healthy subjects to auditory oddball paradigms, standard and deviant stimuli, recorded on an Fz electrode site were studied using a short-term version of the smoothed Wigner-Ville distribution (STSW) method. A smoothing kernel was designed to preserve the auto energy of the signal with maximum time and frequency resolutions. Analysis was conducted mainly on the time-frequency distributions (TFDs) of sweeps recorded during successive trials including the TFD of averaged single sweeps as the evoked time-frequency (ETF) brain response and the average of TFDs of single sweeps as the time-frequency (TF) brain response. Also the power entropy and the phase angles of the signal at frequency f and time t locked to the stimulus onset were studied across single trials as the TF power-locked and the TF phase-locked brain responses, respectively. TFDs represented in this way demonstrated the ERP spectro-temporal characteristics from multiple perspectives. The time-varying energy of the individual components manifested interesting TF structures in the form of amplitude modulated (AM) and frequency modulated (FM) energy bursts. The TF power-locked and phase-locked brain responses provoked ERP energies in a manner modulated by cognitive functions, an observation requiring further investigation. These results may lead to a better understanding of integrative brain dynamics.

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

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

Anjali,; Sharma, Raman; Thakur, Nagesh

2015-05-15

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

Mixed semiconductor nanocrystal compositions

DOEpatents

Maskaly, Garry R [Los Alamos, NM; Schaller, Richard D [Santa Fe, NM; Klimov, Victor I [Los Alamos, NM

2011-02-15

Composition comprising one or more energy donors and one or more energy acceptors, wherein energy is transferred from the energy donor to the energy acceptor and wherein: the energy acceptor is a colloidal nanocrystal having a lower band gap energy than the energy donor; the energy donor and the energy acceptor are separated by a distance of 40 nm or less; wherein the average peak absorption energy of the acceptor is at least 20 meV greater than the average peak emission energy of the energy donor; and wherein the ratio of the number of energy donors to the number of energy acceptors is from about 2:1 to about 1000:1.

Feasibility of Wave Energy in Hong Kong

NASA Astrophysics Data System (ADS)

Lu, M.; Hodgson, P.

2014-12-01

Kinetic energy produced by the movement of ocean waves can be harnessed by wave energy converter equipment such as wave turbines to power onshore electricity generators, creating a valuable source of renewable energy. This experiment measures the potential of wave energy in Hoi Ha Wan Marine Park, Hong Kong using a data buoy programmed to send data through wireless internet every five minutes. Wave power (known as 'wave energy flux') is proportional to wave energy periodicity and to the square of wave height, and can be calculated using the equation: P = 0.5 kW/(m3)(s) x Hs2 x Tp P = wave energy flux (wave energy per unit of wave crest length in kW/m) Hs = significant wave height (m) Tp = wave period (seconds) Acoustic Doppler Current Profilers (ADCPs), or ultrasonic sensors, were installed on the seabed at three monitoring locations to measure Significant Wave Heights (Hs), Significant Wave Periods (Tp) and Significant Wave Direction (Wd). Over a twelve month monitoring period, Significant Wave Heights ranged from 0 ~ 8.63m. Yearly averages were 1.051m. Significant Wave Period ranged from 0 ~ 14.9s. Yearly averages were 6.846s. The maximum wave energy amount recorded was 487.824 kW/m. These results implied that electricity sufficient to power a small marine research center could be supplied by a generator running at 30% efficiency or greater. A wave piston driven generator prototype was designed that could meet output objectives without using complex hydraulics, expensive mechanical linkages, or heavy floating buoys that might have an adverse impact on marine life. The result was a design comprising a water piston connected by an air pipe to a rotary turbine powered generator. A specially designed air valve allowed oscillating bidirectional airflow generated in the piston to be converted into unidirectional flow through the turbine, minimizing kinetic energy loss. A 35cm wave with a one second period could generate 139.430W of electricity, with an efficiency of 37.6%.

The effect of intermittent operation on a wind-powered membrane system for brackish water desalination.

PubMed

Park, G L; Schäfer, A I; Richards, B S

2012-01-01

Renewable energy powered membrane systems that are directly-connected must take account of both the inherent fluctuations and the intermittency of the energy resource. In order to determine the effect of intermittent operation, a membrane system was tested with variables of (i) amplitude from 60 to 300 W and (ii) length of time with no power from 0.5 to 3 min. This was performed over one hour periods with six on/off cycles to simulate the system operating under intermittent operation for short periods of time when directly-connected to a small wind turbine. The setup used a Filmtec BW30-4040 brackish water reverse osmosis membrane with feed waters of 2,750 mg/L and 5,500 mg/L NaCl. The results showed that the membrane system produced potable water under the majority of intermittency experiments performed. There was a relatively large increase in the average salt concentration of the permeate, especially when the system was off for shorter periods of time (0.5-1 min). Longer periods of no power (1-3 min) did not have as significant an effect on the average water quality. This is important when the need for energy buffering or short term storage is considered for these systems as it shows the potential for improving the overall flux and water quality using temporary energy storage.

A Molecular Dynamics of Cold Neutral Atoms Captured by Carbon Nanotube Under Electric Field and Thermal Effect as a Selective Atoms Sensor.

PubMed

Santos, Elson C; Neto, Abel F G; Maneschy, Carlos E; Chen, James; Ramalho, Teodorico C; Neto, A M J C

2015-05-01

Here we analyzed several physical behaviors through computational simulation of systems consisting of a zig-zag type carbon nanotube and relaxed cold atoms (Rb, Au, Si and Ar). These atoms were chosen due to their different chemical properties. The atoms individually were relaxed on the outside of the nanotube during the simulations. Each system was found under the influence of a uniform electric field parallel to the carbon nanotube and under the thermal effect of the initial temperature at the simulations. Because of the electric field, the cold atoms orbited the carbon nanotube while increasing the initial temperature allowed the variation of the radius of the orbiting atoms. We calculated the following quantities: kinetic energy, potential energy and total energy and in situ temperature, molar entropy variation and average radius of the orbit of the atoms. Our data suggest that only the action of electric field is enough to generate the attractive potential and this system could be used as a selected atoms sensor.

Exploring Fuel-Saving Potential of Long-Haul Truck Hybridization

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

Gao, Zhiming; LaClair, Tim J.; Smith, David E.

We report our comparisons on the simulated fuel economy for parallel, series, and dual-mode hybrid electric long-haul trucks, in addition to a conventional powertrain configuration, powered by a commercial 2010-compliant 15-L diesel engine over a freeway-dominated heavy-duty truck driving cycle. The driving cycle was obtained by measurement during normal driving conditions. The results indicated that both parallel and dual-mode hybrid powertrains were capable of improving fuel economy by 7% to 8%. But there was no significant fuel economy benefit for the series hybrid truck because of internal inefficiencies in energy exchange. When reduced aerodynamic drag and tire rolling resistance weremore » combined with hybridization, there was a synergistic fuel economy benefit for appropriate hybrids that increased the fuel economy benefit to more than 15%. Long-haul hybrid trucks with reduced aerodynamic drag and rolling resistance offered lower peak engine loads, better kinetic energy recovery, and reduced average engine power demand. Therefore, it is expected that hybridization with load reduction technologies offers important potential fuel energy savings for future long-haul trucks.« less

Exploring Fuel-Saving Potential of Long-Haul Truck Hybridization

DOE PAGES

Gao, Zhiming; LaClair, Tim J.; Smith, David E.; ...

2015-10-01

We report our comparisons on the simulated fuel economy for parallel, series, and dual-mode hybrid electric long-haul trucks, in addition to a conventional powertrain configuration, powered by a commercial 2010-compliant 15-L diesel engine over a freeway-dominated heavy-duty truck driving cycle. The driving cycle was obtained by measurement during normal driving conditions. The results indicated that both parallel and dual-mode hybrid powertrains were capable of improving fuel economy by 7% to 8%. But there was no significant fuel economy benefit for the series hybrid truck because of internal inefficiencies in energy exchange. When reduced aerodynamic drag and tire rolling resistance weremore » combined with hybridization, there was a synergistic fuel economy benefit for appropriate hybrids that increased the fuel economy benefit to more than 15%. Long-haul hybrid trucks with reduced aerodynamic drag and rolling resistance offered lower peak engine loads, better kinetic energy recovery, and reduced average engine power demand. Therefore, it is expected that hybridization with load reduction technologies offers important potential fuel energy savings for future long-haul trucks.« less

Electrocatalysis of the Needle-Like NiMoO4 Crystal Toward Urea Oxidation Coupled with H2 Production

NASA Astrophysics Data System (ADS)

Zhou, Mao; Miao, Yuqing

In the International Space Station, urine is considered something to be treated. However, urine is mainly composed of water and urea, while they have been demonstrated as an excellent hydrogen carrier for sustainable energy supply. Through the simple chemical coprecipitation and hydrothermal reaction, the needle-like NiMoO4 crystals were synthesized with the average width around 500nm and length up to 4μm. The resulted products were thoroughly characterized by scanning electron microscopy, energy dispersive X-ray spectrometry, X-ray diffraction, Fourier-transform infrared spectroscopy and ultraviolet-visible spectrum. The needle-like NiMoO4 crystals exhibited excellent electrocatalytic oxidation toward urea at anode in alkali solution, leading to the increased performance of hydrogen evolution reaction at cathode with the lower electrochemical potential and energy consumption required to drive the reaction. The high electrocatalysis of the needle-like NiMoO4 crystals toward urea oxidation reveals their great potential for future application to clean the urine/urea-rich wastewater and to produce hydrogen in space station and environmental wastewater.

Intrinsic potential for immediate biodegradation of toluene in a pristine, energy-limited aquifer.

PubMed

Herzyk, Agnieszka; Maloszewski, Piotr; Qiu, Shiran; Elsner, Martin; Griebler, Christian

2014-06-01

Pristine and energy-limited aquifers are considered to have a low resistance and resilience towards organic pollution. An experiment in an indoor aquifer system revealed an unexpected high intrinsic potential for the attenuation of a short-term toluene contamination. A 30 h pulse of 486 mg of toluene, used as a model contaminant, and deuterated water (D2O) through an initially pristine, oxic, and organic carbon poor sandy aquifer revealed an immediate aerobic toluene degradation potential. Based on contaminant and tracer break-through curves, as well as mass balance analyses and reactive transport modelling, a contaminant removal of 40 % over a transport distance of only 4.2 m in less than one week of travel time was obtained. The mean first-order degradation rate constant was λ = 0.178 day(-1), corresponding to a half-life time constant T1/2 of 3.87 days. Toluene-specific stable carbon isotope analysis independently proved that the contaminant mass removal can be attributed to microbial biodegradation. Since average doubling times of indigenous bacterial communities were in the range of months to years, the aerobic biodegradation potential observed is assumed to be present and active in the pristine, energy-limited groundwater ecosystems at any time. Follow-up experiments and field studies will help to quantify the immediate natural attenuation potential of aquifers for selected priority contaminants and will try to identify the key-degraders within the autochthonous microbial communities.

An accurate full-dimensional potential energy surface for H-Au(111): Importance of nonadiabatic electronic excitation in energy transfer and adsorption.

PubMed

Janke, Svenja M; Auerbach, Daniel J; Wodtke, Alec M; Kandratsenka, Alexander

2015-09-28

We have constructed a potential energy surface (PES) for H-atoms interacting with fcc Au(111) based on fitting the analytic form of the energy from Effective Medium Theory (EMT) to ab initio energy values calculated with density functional theory. The fit used input from configurations of the H-Au system with Au atoms at their lattice positions as well as configurations with the Au atoms displaced from their lattice positions. It reproduces the energy, in full dimension, not only for the configurations used as input but also for a large number of additional configurations derived from ab initio molecular dynamics (AIMD) trajectories at finite temperature. Adiabatic molecular dynamics simulations on this PES reproduce the energy loss behavior of AIMD. EMT also provides expressions for the embedding electron density, which enabled us to develop a self-consistent approach to simulate nonadiabatic electron-hole pair excitation and their effect on the motion of the incident H-atoms. For H atoms with an energy of 2.7 eV colliding with Au, electron-hole pair excitation is by far the most important energy loss pathway, giving an average energy loss ≈3 times that of the adiabatic case. This increased energy loss enhances the probability of the H-atom remaining on or in the Au slab by a factor of 2. The most likely outcome for H-atoms that are not scattered also depends prodigiously on the energy transfer mechanism; for the nonadiabatic case, more than 50% of the H-atoms which do not scatter are adsorbed on the surface, while for the adiabatic case more than 50% pass entirely through the 4 layer simulation slab.

[Potential risk factors for children in the family diet].

PubMed

Pavlović, M; Bijelović, S; Berenji, K; Balać, D

2001-01-01

It has been proven that high-energy diet with predominance of saturated fatty acids, cholesterol, animal proteins and sugar increases disease incidence. The aim of this study was to determine the potential risk factors of family diet of schoolchildren in Subotica. Evaluation of energy and nutrient intake in family diet (n = 357 families with schoolchildren) was examined by a Food Consumption Questionnaire during 7 days in February-March 1998. Data were elaboreted using a software "NUTQ". The potential nutritive risk factors were determined according to Recommended Dietary Allowances (RDA) index of dietary adequacy, as well as Population Nutrition Goals. Mean energy intake was 2197 kcal, where proteins made 14.64%, fats 41.39% and carbohydrates 43.97%. Mean intake of dietary saturated fatty acids (S) was 11.17%, of polyunsaturated fatty acids (P) 14.39%, of monounsaturated fatty acids 15.82%, dietary cholesterol 82.68 g/1000 kcal, dietary fiber 10.67 g daily, while the P/S ratio was 1.28. Analytical questionnaire of schoolchildren family diet shows that daily about 7.5% of children take in more than 30% of fats, 7% of them over 300 mg of dietary cholesterol, 65% of them over 10% of refined sugars, 50% of them over 10% of saturated fatty acids and all of them more than 6 g of NaCl and less than 20 g of dietary fiber a day. According to WHO recommendations, the average daily energy intake values are appropriate for boys, but exceeding for girls aged ten. Domination of meat, meat products, fats, oils, sugars, as well as mean intake of total fats, saturated fatty acids, potassium and sodium, represent potential nutritive risk factors for developing cardiovascular diseases, which are at the first place of morbidity and the second cause of mortality. In regard to our data from 1998, which have shown that among schoolchildren (n = 478) 10.04% boys and 11.47% girls were obese, 8.55% boys and 6.42% girls were overweight, 9.15% had hypercholesterolemia, 14.83% had hypertrigliceridemia and 17.28% had elevated level of LDL-cholesterol, we have to admit that preventive actions regarding healthy nutrition policy is necessary in our society. Nutritional risk factors in diet of average children in Subotica demand prompt preventive actions in order to prevent nutrition disorders.

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.

Stover composition in maize and sorghum reveals remarkable genetic variation and plasticity for carbohydrate accumulation

DOE PAGES

Sekhon, Rajandeep S.; Breitzman, Matthew W.; Silva, Renato R.; ...

2016-06-08

Carbohydrates stored in vegetative organs, particularly stems, of grasses are a very important source of energy. We examined carbohydrate accumulation in adult sorghum and maize hybrids with distinct phenology and different end uses (grain, silage, sucrose or sweetness in stalk juice, and biomass). Remarkable variation was observed for nonstructural carbohydrates and structural polysaccharides during three key developmental stages both between and within hybrids developed for distinct end use in both species. At the onset of the reproductive phase (average 65 days after planting, DAP), a wide range for accumulation of non-structural carbohydrates (free glucose and sucrose combined), was observed inmore » internodes of maize (11-24%) and sorghum (7-36%) indicating substantial variation for transient storage of excess photosynthate during periods of low grain or vegetative sink strength. Remobilization of these reserves for supporting grain fill or vegetative growth was evident from lower amounts in maize (8-19%) and sorghum (9-27%) near the end of the reproductive period (average 95 DAP). At physiological maturity of grain hybrids (average 120 DAP), amounts of these carbohydrates were generally unchanged in maize (9-21%) and sorghum (16-27%) suggesting a loss of photosynthetic assimilation due to weakening sink demand. Nonetheless, high amounts of non-structural carbohydrates at maturity even in grain maize and sorghum (15-18%) highlight the potential for developing dual-purpose (grain/stover) crops. For both species, the amounts of structural polysaccharides in the cell wall, measured as monomeric components (glucose and pentose), decreased during grain fill but remained unchanged thereafter with maize biomass possessing slightly higher amounts than sorghum. In conclusion, availability of carbohydrates in maize and sorghum highlights the potential for developing energy-rich dedicated biofuel or dual-purpose (grain/stover) crops.« less

Stover composition in maize and sorghum reveals remarkable genetic variation and plasticity for carbohydrate accumulation

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

Sekhon, Rajandeep S.; Breitzman, Matthew W.; Silva, Renato R.

Carbohydrates stored in vegetative organs, particularly stems, of grasses are a very important source of energy. We examined carbohydrate accumulation in adult sorghum and maize hybrids with distinct phenology and different end uses (grain, silage, sucrose or sweetness in stalk juice, and biomass). Remarkable variation was observed for nonstructural carbohydrates and structural polysaccharides during three key developmental stages both between and within hybrids developed for distinct end use in both species. At the onset of the reproductive phase (average 65 days after planting, DAP), a wide range for accumulation of non-structural carbohydrates (free glucose and sucrose combined), was observed inmore » internodes of maize (11-24%) and sorghum (7-36%) indicating substantial variation for transient storage of excess photosynthate during periods of low grain or vegetative sink strength. Remobilization of these reserves for supporting grain fill or vegetative growth was evident from lower amounts in maize (8-19%) and sorghum (9-27%) near the end of the reproductive period (average 95 DAP). At physiological maturity of grain hybrids (average 120 DAP), amounts of these carbohydrates were generally unchanged in maize (9-21%) and sorghum (16-27%) suggesting a loss of photosynthetic assimilation due to weakening sink demand. Nonetheless, high amounts of non-structural carbohydrates at maturity even in grain maize and sorghum (15-18%) highlight the potential for developing dual-purpose (grain/stover) crops. For both species, the amounts of structural polysaccharides in the cell wall, measured as monomeric components (glucose and pentose), decreased during grain fill but remained unchanged thereafter with maize biomass possessing slightly higher amounts than sorghum. In conclusion, availability of carbohydrates in maize and sorghum highlights the potential for developing energy-rich dedicated biofuel or dual-purpose (grain/stover) crops.« less

Toward an Experimental Quantum Chemistry: Exploring a New Energy Partitioning.

PubMed

Rahm, Martin; Hoffmann, Roald

2015-08-19

Following the work of L. C. Allen, this work begins by relating the central chemical concept of electronegativity with the average binding energy of electrons in a system. The average electron binding energy, χ̅, is in principle accessible from experiment, through photoelectron and X-ray spectroscopy. It can also be estimated theoretically. χ̅ has a rigorous and understandable connection to the total energy. That connection defines a new kind of energy decomposition scheme. The changing total energy in a reaction has three primary contributions to it: the average electron binding energy, the nuclear-nuclear repulsion, and multielectron interactions. This partitioning allows one to gain insight into the predominant factors behind a particular energetic preference. We can conclude whether an energy change in a transformation is favored or resisted by collective changes to the binding energy of electrons, the movement of nuclei, or multielectron interactions. For example, in the classical formation of H2 from atoms, orbital interactions dominate nearly canceling nuclear-nuclear repulsion and two-electron interactions. While in electron attachment to an H atom, the multielectron interactions drive the reaction. Looking at the balance of average electron binding energy, multielectron, and nuclear-nuclear contributions one can judge when more traditional electronegativity arguments can be justifiably invoked in the rationalization of a particular chemical event.

Search for supersymmetry in 8 TeV proton-proton collision events with bottom-quark jets and missing transverse energy

NASA Astrophysics Data System (ADS)

Kreis, Benjamin

In the absence of meaningful federal action, many states have adopted clean energy policies aimed at reducing carbon emissions. Among these policies is the energy efficiency resource standard (EERS), adopted by 33 states mostly in the last decade, which sets an energy consumption reduction target for some or all regulated utilities within a state. My paper examines what factors affect a state's likelihood of adopting an EERS, and whether those factors are different for EERS policies compared with other clean energy policies. The energy policy literature features many studies of clean energy policy adoption, but none have focused specifically on EERS adoption. I theorized that energy efficiency potential being relatively homogeneously distributed across states (compared to renewable energy potential) and efficiency's relative inexpensiveness as a resource would result in a unique set of factors being associated with the likelihood of EERS adoption. Specifically, I expected that three internal determinants--the presence of utility rate decoupling in a state, a state's political ideology, and the state's average retail price of residential electricity--affect a state's likelihood of adopting an EERS. To test these hypotheses, I estimated several multiple regression models using an event history analysis approach and found that citizen liberalism, level of electricity consumption, and a time counter variable were all statistically significant and positive predictors of state adoption of an EERS, all else equal. I found no association between decoupling or electricity price and EERS adoption, though in the case of the former that may be a result of insufficient data.

Reaction mechanism and reaction coordinates from the viewpoint of energy flow

PubMed Central

2016-01-01

Reaction coordinates are of central importance for correct understanding of reaction dynamics in complex systems, but their counter-intuitive nature made it a daunting challenge to identify them. Starting from an energetic view of a reaction process as stochastic energy flows biased towards preferred channels, which we deemed the reaction coordinates, we developed a rigorous scheme for decomposing energy changes of a system, both potential and kinetic, into pairwise components. The pairwise energy flows between different coordinates provide a concrete statistical mechanical language for depicting reaction mechanisms. Application of this scheme to the C7eq → C7ax transition of the alanine dipeptide in vacuum revealed novel and intriguing mechanisms that eluded previous investigations of this well studied prototype system for biomolecular conformational dynamics. Using a cost function developed from the energy decomposition components by proper averaging over the transition path ensemble, we were able to identify signatures of the reaction coordinates of this system without requiring any input from human intuition. PMID:27004858

Reaction mechanism and reaction coordinates from the viewpoint of energy flow

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

Li, Wenjin; Ma, Ao, E-mail: aoma@uic.edu

Reaction coordinates are of central importance for correct understanding of reaction dynamics in complex systems, but their counter-intuitive nature made it a daunting challenge to identify them. Starting from an energetic view of a reaction process as stochastic energy flows biased towards preferred channels, which we deemed the reaction coordinates, we developed a rigorous scheme for decomposing energy changes of a system, both potential and kinetic, into pairwise components. The pairwise energy flows between different coordinates provide a concrete statistical mechanical language for depicting reaction mechanisms. Application of this scheme to the C{sub 7eq} → C{sub 7ax} transition of themore » alanine dipeptide in vacuum revealed novel and intriguing mechanisms that eluded previous investigations of this well studied prototype system for biomolecular conformational dynamics. Using a cost function developed from the energy decomposition components by proper averaging over the transition path ensemble, we were able to identify signatures of the reaction coordinates of this system without requiring any input from human intuition.« less

Wind Energy Finance in the United States: Current Practice and Opportunities

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

Schwabe, Paul D.; Feldman, David J.; Settle, Donald E.

In the United States, investment in wind energy has averaged nearly $13.6 billion annually since 2006 with more than $140 billion invested cumulatively over that period (BNEF 2017). This sizable investment activity demonstrates the persistent appeal of wind energy and its increasing role in the U.S electricity generation portfolio. Despite its steady investment levels over the last decade, some investors still consider wind energy as a specialized asset class. Limited familiarity with the asset class both limit the pool of potential investors and drive up costs for investors. This publication provides an overview of the wind project development process, capitalmore » sources and financing structures commonly used, and traditional and emerging procurement methods. It also provides a high-level demonstration of how financing rates impact a project's all-in cost of energy. The goal of the publication is to provide a representative and wide-ranging resource for the wind development and financing processes.« less

Effect of crystal size distribution on thermoelectric performance for Lanthanum-doped strontium titanate bulk material

NASA Astrophysics Data System (ADS)

Zhang, Boyu; Wang, Jun; Yaer, Xinba; Huo, Zhenzhen; Wu, Yin; Li, Yan; Miao, Lei; Liu, Chengyan; Zou, Tao; Ma, Wen

2015-07-01

Effect of crystal size distribution on thermoelectric performance of Lanthanum-doped strontium titanate (La-SrTiO3) ceramics are investigated in this study. Thermoelectric performance measurement, coupled with microstructure studies, shows that the electrical conductivity strongly depends on the crystal size, potential barrier on the grain boundary and porosity. Meantime, because the average potential barriers height are increased along with the reduction of crystal size, the Seebeck coefficients are increased by energy filtering effect at the large number of grain boundaries. As a result, by controlling of crystal size distribution, ZT value of La-SrTiO3 is improved.

Low energy isomers of (H2O)25 from a hierarchical method based on Monte Carlo Temperature Basin Paving and Molecular Tailoring Approaches benchmarked by full MP2 calculations

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

Sahu, Nityananda; Gadre, Shridhar R.; Bandyopadhyay, Pradipta

We report new global minimum candidate structures for the (H2O)25 cluster that are lower in energy than the ones reported previously and correspond to hydrogen bonded networks with 42 hydrogen bonds and an interior, fully coordinated water molecule. These were obtained as a result of a hierarchical approach based on initial Monte Carlo Temperature Basin Paving (MCTBP) sampling of the cluster’s Potential Energy Surface (PES) with the Effective Fragment Potential (EFP), subsequent geometry optimization using the Molecular Tailoring fragmentation Approach (MTA) and final refinement at the second order Møller Plesset perturbation (MP2) level of theory. The MTA geometry optimizations usedmore » between 14 and 18 main fragments with maximum sizes between 11 and 14 water molecules and average size of 10 water molecules, whose energies and gradients were computed at the MP2 level. The MTA-MP2 optimized geometries were found to be quite close (within < 0.5 kcal/mol) to the ones obtained from the MP2 optimization of the whole cluster. The grafting of the MTA-MP2 energies yields electronic energies that are within < 5×10-4 a.u. from the MP2 results for the whole cluster while preserving their energy order. The MTA-MP2 method was also found to reproduce the MP2 harmonic vibrational frequencies in both the HOH bending and the OH stretching regions.« less

Assessment of flywheel energy storage for spacecraft power systems

NASA Technical Reports Server (NTRS)

Rodriguez, G. E.; Studer, P. A.; Baer, D. A.

1983-01-01

The feasibility of inertial energy storage in a spacecraft power system is evaluated on the basis of a conceptual integrated design that encompasses a composite rotor, magnetic suspension, and a permanent magnet (PM) motor/generator for a 3-kW orbital average payload at a bus distribution voltage of 250 volts dc. The conceptual design, which evolved at the Goddard Space Flight Center (GSFC), is referred to as a Mechanical Capacitor. The baseline power system configuration selected is a series system employing peak-power-tracking for a Low Earth-Orbiting application. Power processing, required in the motor/generator, provides a potential alternative configurations that can only be achieved in systems with electrochemical energy storage by the addition of power processing components. One such alternative configuration provides for peak-power-tracking of the solar array and still maintains a regulated bus, without the expense of additional power processing components. Precise speed control of the two counterrotating wheels is required to reduce interaction with the attitude control system (ACS) or alternatively, used to perform attitude control functions. Critical technologies identified are those pertaining to the energy storage element and are prioritized as composite wheel development, magnetic suspension, motor/generator, containment, and momentum control. Comparison with a 3-kW, 250-Vdc power system using either NiCd or NiH2 for energy storage results in a system in which inertial energy storage offers potential advantages in lifetime, operating temperature, voltage regulation, energy density, charge control, and overall system weight reduction.

The 129Xe nuclear shielding surfaces for Xe interacting with linear molecules CO2, N2, and CO

NASA Astrophysics Data System (ADS)

de Dios, Angel C.; Jameson, Cynthia J.

1997-09-01

We have calculated the intermolecular nuclear magnetic shielding surfaces for 129Xe in the systems Xe-CO2, Xe-N2, and Xe-CO using a gauge-invariant ab initio method at the coupled Hartree-Fock level with gauge-including atomic orbitals (GIAO). Implementation of a large basis set (240 basis functions) on the Xe gives very small counterpoise corrections which indicates that the basis set superposition errors in the calculated shielding values are negligible. These are the first intermolecular shielding surfaces for Xe-molecule systems. The surfaces are highly anisotropic and can be described adequately by a sum of inverse even powers of the distance with explicit angle dependence in the coefficients expressed by Legendre polynomials P2n(cos θ), n=0-3, for Xe-CO2 and Xe-N2. The Xe-CO shielding surface is well described by a similar functional form, except that Pn(cos θ), n=0-4 were used. When averaged over the anisotropic potential function these shielding surfaces provide the second virial coefficient of the nuclear magnetic resonance (NMR) chemical shift observed in gas mixtures. The energies from the self-consistent field (SCF) calculations were used to construct potential surfaces, using a damped dispersion form. These potential functions are compared with existing potentials in their predictions of the second virial coefficients of NMR shielding, the pressure virial coefficients, the density coefficient of the mean-square torque from infrared absorption, and the rotational constants and other average properties of the van der Waals complexes. Average properties of the van der Waals complexes were obtained by quantum diffusion Monte Carlo solutions of the vibrational motion using the various potentials and compared with experiment.

Hip, Knee, and Ankle Osteoarthritis Negatively Affects Mechanical Energy Exchange.

PubMed

Queen, Robin M; Sparling, Tawnee L; Schmitt, Daniel

2016-09-01

Individuals with osteoarthritis (OA) of the lower limb find normal locomotion tiring compared with individuals without OA, possibly because OA of any lower limb joint changes limb mechanics and may disrupt transfer of potential and kinetic energy of the center of mass during walking, resulting in increased locomotor costs. Although recovery has been explored in asymptomatic individuals and in some patient populations, the effect of changes in these gait parameters on center of mass movements and mechanical work in patients with OA in specific joints has not been well examined. The results can be used to inform clinical interventions and rehabilitation that focus on improving energy recovery. We hypothesized that (1) individuals with end-stage lower extremity OA would exhibit a decrease in walking velocity compared with asymptomatic individuals and that the joint affected with OA would differntially influence walking velocity, (2) individuals with end-stage lower extremity OA would show decreased energy recovery compared with asymptomatic individuals and that individuals with end-stage hip and ankle OA would have greater reductions in recovery than would individuals with end-stage knee OA owing to restrictions in hip and ankle motion, and (3) that differences in the amplitude and congruity of the center of mass would explain the differences in energy recovery that are observed in each population. Ground reaction forces at a range of self-selected walking speeds were collected from individuals with end-stage radiographic hip OA (n = 27; 14 males, 13 females; average age, 55.6 years; range, 41-70 years), knee OA (n = 20; seven males, 13 females; average age, 61.7 years; range, 49-74 years), ankle OA (n = 30; 14 males, 16 females; average age, 57 years; range, 45-70 years), and asymptomatic individuals (n = 13; eight males, five females; average age, 49.8 years; range, 41-67 years). Participants were all patients with end-stage OA who were scheduled to have joint replacement surgery within 4 weeks of testing. All patients were identified by the orthopaedic surgeon as having end-stage radiographic disease and to be a candidate for joint replacement surgery. Patients were excluded if they had pain at any other lower extremity joint, previous joint replacement surgery, or needed to use an assistive device for ambulation. Patients were enrolled if they met the study inclusion criteria. Our study was comparative and cohorts could be compared with each other, however, the asymptomatic group served to verify our methods and provided a recovery standard with which we could compare our patients. Potential and kinetic energy relationships (% congruity) and energy exchange (% recovery) were calculated. Linear regressions were used to examine the effect of congruity and amplitude of energy fluctuations and walking velocity on % recovery. Analysis of covariance was used to compare energy recovery between groups. The results of this study support our hypothesis that individuals with OA walk at a slower velocity than asymptomatic individuals (1.4 ± 0.2 m/second, 1.2-1.5 m/second) and that the joint affected by OA also affects walking velocity (p < 0.0001). The cohort with ankle OA (0.9 ± 0.2 m/second, 0.77-0.94 m/second) walked at a slower speed relative to the cohort with hip OA (1.1 ± 0.2 m/second, 0.96-1.1 m/second; p = 0.002). However, when comparing the cohorts with ankle and knee OA (0.9 ± 0.2 m/second, 0.77-0.94 m/second) there was no difference in walking speed (p = 0.16) and the same was true when comparing the cohorts with knee and hip OA (p = 0.14). Differences in energy recovery existed when comparing the OA cohorts with the asymptomatic cohort and when examining differences between the OA cohorts. After adjusting for walking speeds these results showed that asymptomatic individuals (65% ± 3%, 63%-67%) had greater recovery than individuals with hip OA (54% ± 10%, 50%-58%; p = 0.014) and ankle OA (47% ± 13%, 40%-52%; p = 0.002) but were not different compared with individuals with knee OA (57% ± 10%, 53%-62%; p = 0.762). When speed was accounted for, 80% of the variation in recovery not attributable to speed was explained by congruity with only 10% being explained by amplitude. OA in the hip, knee, or ankle reduces effective exchange of potential and kinetic energy, potentially increasing the muscular work required to control movements of the center of mass. The fatigue and limited physical activity reported in patients with lower extremity OA could be associated with increased mechanical work of the center of mass. Focused gait retraining potentially could improve walking mechanics and decrease fatigue in these patients.

Phase-Space Approach to the Tunnel Effect: A New Semiclassical Traversal Time

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

Xavier, A.L. Jr.; de Aguiar, M.A.

1997-11-01

We determine the semiclassical coherent-state propagator for a particle going through one-dimensional evolution in a simple barrier potential. The described semiclassical method makes use of complex trajectories which, by its turn, enables the definition of (real) traversal times in the complexified phase space. We then discuss the behavior of this time for a wave packet whose average energy is below the barrier height. {copyright} {ital 1997} {ital The American Physical Society}

Large-scale broadband absorber based on metallic tungsten nanocone structure

NASA Astrophysics Data System (ADS)

Wang, Jiaxing; Liang, Yuzhang; Huo, Pengcheng; Wang, Daopeng; Tan, Jun; Xu, Ting

2017-12-01

We report a broadband tungsten absorber based on a nanocone metallic resonant structure fabricated by self-assembly nanosphere lithography. In experimental demonstration, the fabricated absorber has more than 90% average absorption efficiency and shows superior angular tolerance in the entire visible and near-infrared spectral region. We envision that this large-scale nanostructured broadband optical absorber would find great potential in the applications of high performance optoelectronic platforms and solar-thermal energy harvesting systems.

3D Concrete Printing Concept Could Solve Tall-Wind Dilemma

ScienceCinema

Cotrell, Jason; Jenne, Scott; Butterfield, Sandy

2018-06-12

When building a wind turbine, you want to make it as tall as possible to capture stronger, faster winds aloft. But taller tower bases become too large to be transported over the road—a constraint that has kept average U.S. wind turbine heights at 80 meters for the last 10 years. A Lab-Corps project undertaken by the National Renewable Energy Laboratory has found a potential solution: automated concrete manufacturing.

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

Makhov, Dmitry V.; Shalashilin, Dmitrii V.; Glover, William J.

We present a new algorithm for ab initio quantum nonadiabatic molecular dynamics that combines the best features of ab initio Multiple Spawning (AIMS) and Multiconfigurational Ehrenfest (MCE) methods. In this new method, ab initio multiple cloning (AIMC), the individual trajectory basis functions (TBFs) follow Ehrenfest equations of motion (as in MCE). However, the basis set is expanded (as in AIMS) when these TBFs become sufficiently mixed, preventing prolonged evolution on an averaged potential energy surface. We refer to the expansion of the basis set as “cloning,” in analogy to the “spawning” procedure in AIMS. This synthesis of AIMS and MCEmore » allows us to leverage the benefits of mean-field evolution during periods of strong nonadiabatic coupling while simultaneously avoiding mean-field artifacts in Ehrenfest dynamics. We explore the use of time-displaced basis sets, “trains,” as a means of expanding the basis set for little cost. We also introduce a new bra-ket averaged Taylor expansion (BAT) to approximate the necessary potential energy and nonadiabatic coupling matrix elements. The BAT approximation avoids the necessity of computing electronic structure information at intermediate points between TBFs, as is usually done in saddle-point approximations used in AIMS. The efficiency of AIMC is demonstrated on the nonradiative decay of the first excited state of ethylene. The AIMC method has been implemented within the AIMS-MOLPRO package, which was extended to include Ehrenfest basis functions.« less

Large Area Atomically Flat Surfaces via Exfoliation of Bulk Bi 2Se 3 Single Crystals

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

Melamed, Celeste L.; Ortiz, Brenden R.; Gorai, Prashun

In this paper, we present an exfoliation method that produces cm 2-area atomically flat surfaces from bulk layered single crystals, with broad applications such as for the formation of lateral heterostructures and for use as substrates for van der Waals epitaxy. Single crystals of Bi 2Se 3 were grown using the Bridgman method and examined with X-ray reciprocal space maps, Auger spectroscopy, low-energy electron diffraction, and X-ray photoelectron spectroscopy. An indium-bonding exfoliation technique was developed that produces multiple ~100 um thick atomically flat, macroscopic (>1 cm 2) slabs from each Bi 2Se 3 source crystal. Two-dimensional X-ray diffraction and reciprocalmore » space maps confirm the high crystalline quality of the exfoliated surfaces. Atomic force microscopy reveals that the exfoliated surfaces have an average root-mean-square (RMS) roughness of ~0.04 nm across 400 μm 2 scans and an average terrace width of 70 um between step edges. First-principles calculations reveal exfoliation energies of Bi 2Se 3 and a number of other layered compounds, which demonstrate relevance of our method across the field of 2D materials. While many potential applications exist, excellent lattice matching with the III-V alloy space suggests immediate potential for the use of these exfoliated layered materials as epitaxial substrates for photovoltaic development.« less

Nd:YAG laser combined with gold nanorods for potential application in port-wine stains: an in vivo study

NASA Astrophysics Data System (ADS)

Xing, Linzhuang; Chen, Bin; Li, Dong; Wu, Wenjuan; Wang, Guoxiang

2017-11-01

Neodymium:yttrium aluminum garnet (Nd:YAG) lasers exhibit considerable potential for treating deeply buried port-wine stains. However, the application of Nd:YAG laser is limited by its weak absorption to blood. This in vivo study tested the efficacy and safety of utilizing thiol-terminated methoxypolyethylene glycol-modified gold nanorods (PEG-GNRs) to enhance the absorption of Nd:YAG laser to blood. Mouse mesentery and dorsal skinfold chamber (DSC) model were prepared to analyze the thermal responses of a single venule without anatomic structures, as well as blood vessels in the complex structure of the skin, to laser light. After the injection of 0.44 mg of PEG-GNRs, the required threshold density of laser energy for blood coagulation and complete vasoconstriction decreased from 24 to 18 J/cm2 in the mesentery model and from 36 to 31 J/cm2 in the DSC model. The laser pulse required for blood coagulation and complete vasoconstriction decreased by 67.75% and 62.25% on average in the mesentery model and by 67.55% and 54.45% on average in the DSC model. Histological and histochemical results confirmed that PEG-GNRs are nontoxic in the entire mouse life span. Therefore, combining PEG-GNRs with Nd:YAG laser may be effective and safe for inducing an obvious thermal response of blood vessels under low energy density and minimal pulse conditions.

Large Area Atomically Flat Surfaces via Exfoliation of Bulk Bi 2Se 3 Single Crystals

DOE PAGES

Melamed, Celeste L.; Ortiz, Brenden R.; Gorai, Prashun; ...

2017-09-12

In this paper, we present an exfoliation method that produces cm 2-area atomically flat surfaces from bulk layered single crystals, with broad applications such as for the formation of lateral heterostructures and for use as substrates for van der Waals epitaxy. Single crystals of Bi 2Se 3 were grown using the Bridgman method and examined with X-ray reciprocal space maps, Auger spectroscopy, low-energy electron diffraction, and X-ray photoelectron spectroscopy. An indium-bonding exfoliation technique was developed that produces multiple ~100 um thick atomically flat, macroscopic (>1 cm 2) slabs from each Bi 2Se 3 source crystal. Two-dimensional X-ray diffraction and reciprocalmore » space maps confirm the high crystalline quality of the exfoliated surfaces. Atomic force microscopy reveals that the exfoliated surfaces have an average root-mean-square (RMS) roughness of ~0.04 nm across 400 μm 2 scans and an average terrace width of 70 um between step edges. First-principles calculations reveal exfoliation energies of Bi 2Se 3 and a number of other layered compounds, which demonstrate relevance of our method across the field of 2D materials. While many potential applications exist, excellent lattice matching with the III-V alloy space suggests immediate potential for the use of these exfoliated layered materials as epitaxial substrates for photovoltaic development.« less

Calculation of relative free energies for ligand-protein binding, solvation, and conformational transitions using the GROMOS software.

PubMed

Riniker, Sereina; Christ, Clara D; Hansen, Halvor S; Hünenberger, Philippe H; Oostenbrink, Chris; Steiner, Denise; van Gunsteren, Wilfred F

2011-11-24

The calculation of the relative free energies of ligand-protein binding, of solvation for different compounds, and of different conformational states of a polypeptide is of considerable interest in the design or selection of potential enzyme inhibitors. Since such processes in aqueous solution generally comprise energetic and entropic contributions from many molecular configurations, adequate sampling of the relevant parts of configurational space is required and can be achieved through molecular dynamics simulations. Various techniques to obtain converged ensemble averages and their implementation in the GROMOS software for biomolecular simulation are discussed, and examples of their application to biomolecules in aqueous solution are given. © 2011 American Chemical Society

Electrifying Alaska

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

Reinemer, V.

Alaska's diverse systems for electric power include only 4% by private utilities. Large distances and small markets make transmission impractical for the most part. Rates are variable, although the state average is low. Energy sources, except nuclear, are abundant: half the US coal reserves are in Alaska. In addition, it has geothermal, tidal, biomass, solar, wind, and hydroelectric power. Energy construction and study programs are centered in the Alaska Power Authority and include using waste heat from village diesel generators. Hydro potential is good, but access, distances, and environmental effects must be considered. The Terror Lake, Tyee Lake, Swan Lake,more » and Susitna projects are described and transmission construction, including the 345-kW Railbelt intertie, is discussed. 1 figure.« less

Multiple mobility edges in a 1D Aubry chain with Hubbard interaction in presence of electric field: Controlled electron transport

NASA Astrophysics Data System (ADS)

Saha, Srilekha; Maiti, Santanu K.; Karmakar, S. N.

2016-09-01

Electronic behavior of a 1D Aubry chain with Hubbard interaction is critically analyzed in presence of electric field. Multiple energy bands are generated as a result of Hubbard correlation and Aubry potential, and, within these bands localized states are developed under the application of electric field. Within a tight-binding framework we compute electronic transmission probability and average density of states using Green's function approach where the interaction parameter is treated under Hartree-Fock mean field scheme. From our analysis we find that selective transmission can be obtained by tuning injecting electron energy, and thus, the present model can be utilized as a controlled switching device.

Biosignatures in the Context of Low Energy Flux

NASA Technical Reports Server (NTRS)

Hoehler, T. M.

2017-01-01

Many of the features that are thought of as biosignatures - including the mediation of chemical and physical processes with speed, specificity, and selectivity - result directly or indirectly from life's unique capability to mediate and direct energy flux. As such, it is important to consider the impact that differences in energy flux may have on the quantity and quality of evidence for life. Earth differs from every other body in our solar system in the magnitude of biologically-usable energy flux into a liquid water environment. On a global basis, the capture of light energy into photosynthesis and the flux of chemical energy represented in the products of that photosynthesis (organic material + O2) are about six and four orders of magnitude larger, respectively, than the flux of energy represented in geochemical sources. Our conception of what an inhabited world "looks like" and our intuition about how to search for life are based in this high-energy context. Energy fluxes on worlds beyond Earth may be better approximated by the million-fold smaller flux provided to Earth's biosphere by geochemical sources. As a result, the nature, abundance, and quality of evidence for life that could be expected on an inhabited extraterrestrial world within our solar system may differ profoundly from that found on Earth. Understanding this potential difference in quantitative terms provides important context for the formulation of life detection strategies. The influence of energy flux on biosignatures can be evaluated through reference to the two basic purposes into which life partitions energy flux: (1) Life expends energy to sustain existing biomass in a metabolic steady state (metabolically functional but non-growing). The formal representation of this relationship in the traditional microbiology literature equates biomass directly with energy flux. The direct implication is that worlds having lower energy flux will have correspondingly lower potential to support biomass. Life detection strategies that directly target extant organisms should therefore be prepared to encounter average biomass densities that may be many orders of magnitude smaller than those found in most of Earth's surface environments (2) Life expends energy to synthesize new biomass. An end-member case in which new biomass is created at the energy-limited rate and the corresponding cells are immediately destroyed (so that the energy partitioned to cell maintenance is minimized) establishes an upper bound on the rate at which biological material can enter a bulk global pool. For a specified bulk concentration [i] of any particular biological compound, i, or for biologically produced matter overall, this synthesis rate, R (sub i), defines a characteristic time scale tau (sub i) equals [i] divided by R (sub i). tau (sub i) can be thought of as (a) the minimum time required for biosynthesis to yield a specific bulk concentration (e.g., a detection threshold) of i, and (b) the average residence time of i within a bulk pool when [i] is held in steady state through a balance between biosynthesis and attrition by physical, chemical, or biological consumption. tau (sub i) becomes an important quantity in considering the potential utility of enantiomeric excess (as a product of homochiral biosynthesis) as a biosignature. Spontaneous racemization of amino acids acts to "erase" the signature of homochiral synthesis over time scales that may range from hundreds to hundreds of thousands of years, depending on temperature. For environments in which low energy flux translates to low rates of biosynthesis, including the synthesis of homochiral amino acids, amino acid residence times in pools having detectable concentrations may compare to or significantly exceed the time scale for racemization. This and similar consequences of long residence times should be considered in the formulation of life detection strategies based on detection of biologically-produced species. Fluxes of biologically-useful energy on potentially habitable worlds within our solar system are, at present, not well constrained. Improving such constraint has the potential to inform priorities in the formulation and targeting of search-for-life strategies, based on the implications of energy flux for the abundance and quality of biosignatures overall, and in specific categories.

10 CFR 170.20 - Average cost per professional staff-hour.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 2 2012-01-01 2012-01-01 false Average cost per professional staff-hour. 170.20 Section 170.20 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) FEES FOR FACILITIES, MATERIALS, IMPORT AND EXPORT LICENSES, AND OTHER REGULATORY SERVICES UNDER THE ATOMIC ENERGY ACT OF 1954, AS AMENDED General...

Development of an automated energy audit protocol for office buildings

NASA Astrophysics Data System (ADS)

Deb, Chirag

This study aims to enhance the building energy audit process, and bring about reduction in time and cost requirements in the conduction of a full physical audit. For this, a total of 5 Energy Service Companies in Singapore have collaborated and provided energy audit reports for 62 office buildings. Several statistical techniques are adopted to analyse these reports. These techniques comprise cluster analysis and development of prediction models to predict energy savings for buildings. The cluster analysis shows that there are 3 clusters of buildings experiencing different levels of energy savings. To understand the effect of building variables on the change in EUI, a robust iterative process for selecting the appropriate variables is developed. The results show that the 4 variables of GFA, non-air-conditioning energy consumption, average chiller plant efficiency and installed capacity of chillers should be taken for clustering. This analysis is extended to the development of prediction models using linear regression and artificial neural networks (ANN). An exhaustive variable selection algorithm is developed to select the input variables for the two energy saving prediction models. The results show that the ANN prediction model can predict the energy saving potential of a given building with an accuracy of +/-14.8%.

Life cycle analysis of pistachio production in Greece.

PubMed

Bartzas, Georgios; Komnitsas, Kostas

2017-10-01

In the present paper, a life cycle assessment (LCA) study regarding pistachio (Pistacia vera L.) cultivation in Aegina island, Greece, was performed to evaluate the energy use footprint and the associated environmental impacts. In this context, a detailed life cycle inventory was created based on site-survey data and used for a holistic cradle-to-farm gate LCA analysis using the GaBi 6.5 software. The main impact categories assessed were acidification potential (AP), eutrophication potential (EP), global warming potential (GWP), ozone depletion potential (ODP), photochemical ozone creation potential (POCP) and cumulative energy demand (CED). In order to reveal the main environmental concerns pertinent to pistachio production and in turn propose measures for the reduction of environmental and energetic impacts, three scenarios were compared, namely the Baseline scenario (BS) that involves current cultivation practices, the Green Energy (GE) scenario that involves the use of biological fertilizers i.e. compost, and the Waste Utilization (WU) scenario that involves the production of biochar from pistachio and other agricultural wastes and its subsequent soil application to promote carbon sequestration and improve soil quality. Based on the results of this study, the use of compost for fertilization (GE scenario), which results in approximately 9% savings in terms of energy consumption and the five environmental impact categories studied compared to BS scenario, is considered a promising alternative cultivation strategy. Slightly higher savings (10% on average) in terms of the five calculated environmental impact categories, compared to the BS scenario, were indicated when the WU scenario was considered. Regarding energy consumption, the WU scenario results in minor increase, 3%, compared to the BS scenario. Results of uncertainty analysis performed using the Monte Carlo technique and contribution analysis showed that GE and WU scenarios offer reliable and significant eco-profile improvements for pistachio production in the study area compared to the current situation. Copyright © 2017 Elsevier B.V. All rights reserved.

Vibrational spectroscopic determination of local solvent electric field, solute-solvent electrostatic interaction energy, and their fluctuation amplitudes.

PubMed

Lee, Hochan; Lee, Gayeon; Jeon, Jonggu; Cho, Minhaeng

2012-01-12

IR probes have been extensively used to monitor local electrostatic and solvation dynamics. Particularly, their vibrational frequencies are highly sensitive to local solvent electric field around an IR probe. Here, we show that the experimentally measured vibrational frequency shifts can be inversely used to determine local electric potential distribution and solute-solvent electrostatic interaction energy. In addition, the upper limits of their fluctuation amplitudes are estimated by using the vibrational bandwidths. Applying this method to fully deuterated N-methylacetamide (NMA) in D(2)O and examining the solvatochromic effects on the amide I' and II' mode frequencies, we found that the solvent electric potential difference between O(═C) and D(-N) atoms of the peptide bond is about 5.4 V, and thus, the approximate solvent electric field produced by surrounding water molecules on the NMA is 172 MV/cm on average if the molecular geometry is taken into account. The solute-solvent electrostatic interaction energy is estimated to be -137 kJ/mol, by considering electric dipole-electric field interaction. Furthermore, their root-mean-square fluctuation amplitudes are as large as 1.6 V, 52 MV/cm, and 41 kJ/mol, respectively. We found that the water electric potential on a peptide bond is spatially nonhomogeneous and that the fluctuation in the electrostatic peptide-water interaction energy is about 10 times larger than the thermal energy at room temperature. This indicates that the peptide-solvent interactions are indeed important for the activation of chemical reactions in aqueous solution.

Bioenergy potential of Wolffia arrhiza appraised through pyrolysis, kinetics, thermodynamics parameters and TG-FTIR-MS study of the evolved gases.

PubMed

Ahmad, Muhammad Sajjad; Mehmood, Muhammad Aamer; Liu, Chen-Guang; Tawab, Abdul; Bai, Feng-Wu; Sakdaronnarong, Chularat; Xu, Jianren; Rahimuddin, Sawsan Abdulaziz; Gull, Munazza

2018-04-01

This study evaluated the bioenergy potential of Wolffia arrhiza via pyrolysis. The biomass was collected from the pond receiving city wastewater. Oven dried powdered biomass was exposed to thermal degradation at three heating rates (10, 30 and 50° C min -1 ) using Thermogravimetry-Differential Scanning Calorimetry analyzer in an inert environment. Data obtained were subjected to the isoconversional models of Kissenger-Akahira-Sunose (KSA) and Flynn-Wall-Ozawa (FWO) to elucidate the reaction chemistry. Kinetic parameters including, E a (136-172 kJmol -1 ) and Gibb's free energy (171 kJmol -1 ) showed the remarkable bioenergy potential of the biomass. The average enthalpies indicated that the product formation is favored during pyrolysis. Advanced coupled TG-FTIR-MS analyses showed the evolved gases to contain the compounds containing CO functional groups (aldehydes, ketones), aromatic and aliphatic hydrocarbons as major pyrolytic products. This low-cost abundant biomass may be used to produce energy and chemicals in a cost-efficient and environmentally friendly way. Copyright © 2018 Elsevier Ltd. All rights reserved.

Dynamics Explorer guest investigator

NASA Technical Reports Server (NTRS)

Sojka, Jan J.

1991-01-01

A data base of satellite particle, electric field, image, and plasma data was used to determine correlations between the fields and the particle auroral boundaries. A data base of 8 days of excellent coverage from all instruments was completed. The geomagnetic conditions associated with each of the selected data periods, the number of UV image passes per study day that were obtained, and the total number of UV images for each day are given in tabular form. For each of the days listed in Table 1, both Vector Electric Field Instrument (VEFI) electric potential data and LAPI integrated particle energy fluxes were obtained. On the average, between 8 and 11 passes of useful data per day were obtained. These data are displayed in a format such that either the statistical electric field model potential or the statistical precipitation energy flux could be superimposed. The Heppner and Maynard (1987) and Hardy et al. (1987) models were used for the electric potential and precipitation, respectively. In addition, the auroral image intensity along the Dynamics Explorer-2 satellite pass could be computed and plotted along with the LAPI precipitation data and Hardy et al. (1987) values.

Probing electronic binding potentials with attosecond photoelectron wavepackets

NASA Astrophysics Data System (ADS)

Kiesewetter, D.; Jones, R. R.; Camper, A.; Schoun, S. B.; Agostini, P.; Dimauro, L. F.

2018-01-01

The central goal of attosecond science is to visualize, understand and ultimately control electron dynamics in matter over the fastest relevant timescales. To date, numerous schemes have demonstrated exquisite temporal resolution, on the order of ten attoseconds, in measurements of the response of photo-excited electrons to time-delayed probes. However, attributing this response to specific dynamical mechanisms is difficult, requiring guidance from advanced calculations. Here we show that energy transfer between an oscillating field and low-energy attosecond photoelectron wavepackets directly provides coarse-grained information on the effective binding potential from which the electrons are liberated. We employ a dense extreme ultraviolet (XUV) harmonic comb to photoionize He, Ne and Ar atoms and record the electron spectra as a function of the phase of a mid-infrared dressing field. The amplitude and phase of the resulting interference modulations in the electron spectra reveal the average momentum and change in momentum of the electron wavepackets during the first quarter-period of the dressing field after their creation, reflecting the corresponding coarse characteristics of the binding potential.

Hubble Space Telescope Proper Motion (HSTPROMO) Catalogs of Galactic Globular Clusters. IV. Kinematic Profiles and Average Masses of Blue Straggler Stars

NASA Astrophysics Data System (ADS)

Baldwin, A. T.; Watkins, L. L.; van der Marel, R. P.; Bianchini, P.; Bellini, A.; Anderson, J.

2016-08-01

We make use of the Hubble Space Telescope proper-motion catalogs derived by Bellini et al. to produce the first radial velocity dispersion profiles σ (R) for blue straggler stars (BSSs) in Galactic globular clusters (GCs), as well as the first dynamical estimates for the average mass of the entire BSS population. We show that BSSs typically have lower velocity dispersions than stars with mass equal to the main-sequence turnoff mass, as one would expect for a more massive population of stars. Since GCs are expected to experience some degree of energy equipartition, we use the relation σ \\propto {M}-η , where η is related to the degree of energy equipartition, along with our velocity dispersion profiles to estimate BSS masses. We estimate η as a function of cluster relaxation from recent Monte Carlo cluster simulations by Bianchini et al. and then derive an average mass ratio {M}{BSS}/{M}{MSTO}=1.50+/- 0.14 and an average mass {M}{BSS}=1.22+/- 0.12 M ⊙ from 598 BSSs across 19 GCs. The final error bars include any systematic errors that are random between different clusters, but not any potential biases inherent to our methodology. Our results are in good agreement with the average mass of {M}{BSS}=1.22+/- 0.06 M ⊙ for the 35 BSSs in Galactic GCs in the literature with properties that have allowed individual mass determination. Based on proprietary and archival observations with the NASA/ESA Hubble Space Telescope, obtained at the Space Telescope Science Institute, which is operated by AURA, Inc., under NASA contract NAS 5-26555.

Using remote sensing data for exploitation of integrated renewable energy at coastal site in South Italy

NASA Astrophysics Data System (ADS)

Calaudi, Rosamaria; Lo Feudo, Teresa; Calidonna, Claudia Roberta; Sempreviva, Anna Maria

2016-04-01

Renewable energy sources are major components of the strategy to reduce harmful emissions and to replace depleting fossil energy resources. Data from Remote Sensing can provide detailed information for analysis for sources of renewable energy and to determine the potential energy and socially acceptability of suggested location. Coastal sites of Southern Italy have the advantage of favorable climatic conditions to use renewable energy, such us cloud free days and local breeze phenomena. Many ports are located where they have opportunities for exploitation of renewable energy, by using existing port area and by taking advantage of their coastal locations. Policies of European-Committee and Global-Navigation-PIANC for a better use of energy and an efficient supply from renewable sources are also focused on the construction of port facilities in zero emissions. Using data from Remote Sensing, can reduce the financial resources currently required for finding and assessing suitable areas, we defined an integrated methodology for potential wind and solar energy in harbor areas. In this study we compared the hourly solar power energy using MSG-SEVIRI (Meteosat Second Generation Spinning Enhanced Visible and Infrared) data products DSSF (Down-welling Surface Short-wave-Flux), and PV-Plant measurements with Nominal Power Peak of 19,85 kWp. The PV Plant is situated at a coastal site in Calabrian region, located near Vibo Valentia harbor area. We estimate potential energy by using input solar radiation of Satellite data, with same characteristics of the PV-plant. The RMSE and BIAS for hourly averaged solar electrical reproducibility are estimated including clear and sky conditions. Comparison between energy reproducibility by using DSSF product and PV-plant measurements, made over the period October 2013-June 2014, showed a good agreement in our costal site and generally overestimate (RMSE(35W/m2) and BIAS(4W/m2)) electrical reproducibility from a PV-plant. For wind resource estimation we used Synthetic-Aperture-Radar (SAR) images from March 2002 to April 2012 for a total of 3269 ENVISAT-ASAR scenes acquired in Wide-Swath-Mode (WSM). Wind speed in the Mediterranean is retrieved using the Johns Hopkins University, Applied Physics Laboratory (JHU-APL) software APL-NOAA-SAR Wind Retrieval System. The ASAR is a C-band VV and HH instrument with a 405 km swath with 150 m and 1 km resolution in wide-swath mode. With a 35-day repeat orbit the revisit frequency will give daily coverage near the poles and weekly at the equator. We performed statistical analyses for wind parameters. The SAR-based wind results at the location test near Vibo Valentia show that the average of wind speed is U= 5.63 ms-1, the Weibull parameters are A=6.3 ms-1 and k=1.70. The power density of the wind is E=245 Wm-2.The high spatial resolution of the gridded SAR data is particularly relevant to study coastal sites, where most part of human activities is located. In order to create a zero emissions' harbor area, remote sensing satellite data, can be used for smart grid which employed renewable energies.

Normal dispersion femtosecond fiber optical parametric oscillator.

PubMed

Nguyen, T N; Kieu, K; Maslov, A V; Miyawaki, M; Peyghambarian, N

2013-09-15

We propose and demonstrate a synchronously pumped fiber optical parametric oscillator (FOPO) operating in the normal dispersion regime. The FOPO generates chirped pulses at the output, allowing significant pulse energy scaling potential without pulse breaking. The output average power of the FOPO at 1600 nm was ∼60  mW (corresponding to 1.45 nJ pulse energy and ∼55% slope power conversion efficiency). The output pulses directly from the FOPO were highly chirped (∼3  ps duration), and they could be compressed outside of the cavity to 180 fs by using a standard optical fiber compressor. Detailed numerical simulation was also performed to understand the pulse evolution dynamics around the laser cavity. We believe that the proposed design concept is useful for scaling up the pulse energy in the FOPO using different pumping wavelengths.

First-principles C band absorption spectra of SO2 and its isotopologues

NASA Astrophysics Data System (ADS)

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

2017-04-01

The low-energy wing of the C ˜ B12 ←X˜ 1A1 absorption spectra for SO2 in the ultraviolet region is computed for the 32S,33S,34S and 36S isotopes, using the recently developed ab initio potential energy surfaces (PESs) of the two electronic states and the corresponding transition dipole surface. The state-resolved absorption spectra from various ro-vibrational states of SO2(X˜ 1A1 ) are computed. When contributions of these excited ro-vibrational states are included, the thermally averaged spectra are broadened but maintain their key characters. Excellent agreement with experimental absorption spectra is found, validating the accuracy of the PESs. The isotope shifts of the absorption peaks are found to increase linearly with energy, in good agreement with experiment.

An investigation on the effects of air on electron energy in atmospheric pressure helium plasma jets

NASA Astrophysics Data System (ADS)

Liu, Yadi; Tan, Zhenyu; Chen, Xinxian; Li, Xiaotong; Zhang, Huimin; Pan, Jie; Wang, Xiaolong

2018-03-01

In this work, the effects of air on electron energy in the atmospheric pressure helium plasma jet produced by a needle-plane discharge system have been investigated by means of the numerical simulation based on a two-dimensional fluid model, and the air concentration dependences of the reactive species densities have also been calculated. In addition, the synergistic effects of the applied voltage and air concentration on electron energy have been explored. The present work gives the following significant results. For a fixed applied voltage, the averaged electron energy is basically a constant at air concentrations below about 0.5%, but it evidently decreases above the concentration of 0.5%. Furthermore, the averaged densities of four main reactive species O, O(1D), O2(1Δg), and N2(A3Σu+) increase with the increasing air concentration, but the increase becomes slow at air concentrations above 0.5%. The air concentration dependences of the averaged electron energy under different voltage amplitudes are similar, and for a given air concentration, the averaged electron energy increases with the increase in the voltage amplitude. For the four reactive species, the effects of the air concentration on their averaged densities are similar for a given voltage amplitude. In addition, the averaged densities of the four reactive species increase with increasing voltage amplitude for a fixed air concentration. The present work suggests that a combination of high voltage amplitude and the characteristic air concentration, 0.5% in the present discharge system, allows an expected electron energy and also generates abundant reactive species.

Dense colloidal mixtures in an external sinusoidal potential

NASA Astrophysics Data System (ADS)

Capellmann, R. F.; Khisameeva, A.; Platten, F.; Egelhaaf, S. U.

2018-03-01

Concentrated binary colloidal mixtures containing particles with a size ratio 1:2.4 were exposed to a periodic potential that was realized using a light field, namely, two crossed laser beams creating a fringe pattern. The arrangement of the particles was recorded using optical microscopy and characterized in terms of the pair distribution function along the minima, the occupation probability perpendicular to the minima, the angular bond distribution, and the average potential energy per particle. The particle arrangement was investigated in dependence of the importance of particle-potential and particle-particle interactions by changing the potential amplitude and particle concentration, respectively. An increase in the potential amplitude leads to a stronger localization, especially of the large particles, but also results in an increasing fraction of small particles being located closer to the potential maxima, which also occurs upon increasing the particle density. Furthermore, increasing the potential amplitude induces a local demixing of the two particle species, whereas an increase in the total packing fraction favors a more homogeneous arrangement.

Consequence assessment for Airborne Releases of SO{sub 2} from the Y-12 Pilot Dechlorination Facility

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

Pendergrass, W.R.

The Atmospheric Turbulence and Diffusion Division was requested by the Department of Energy`s Oak Ridge Operations Office to conduct a consequence assessment for potential atmospheric releases of SO{sub 2} from the Y-12 Pilot Dechlorination Facility. The focus of the assessment was to identify ``worst`` case meteorology which posed the highest concentration exposure potential for both on-site as well as off-site populations. A series of plausible SO{sub 2} release scenarios were provided by Y-12 for the consequence assessment. Each scenario was evaluated for predictions of downwind concentration, estimates of a five-minute time weighted average, and estimate of the dimension of themore » puff. The highest hazard potential was associated with Scenario 1, in which a total of eight SO{sub 2} cylinders are released internally to the Pilot Facility and exhausted through the emergency venting system. A companion effort was also conducted to evaluate the potential for impact of releases of SO{sub 2} from the Pilot Facility on the population of Oak Ridge. While specific transport trajectory data is not available for the Pilot Facility, extrapolations based on the Oak Ridge Site Survey and climatological records from the Y-12 meteorological program does not indicate the potential for impact on the city of Oak Ridge. Steering by the local topographical features severely limits the potential impact ares. Due to the lack of specific observational data, both tracer and meteorological, only inferences can be made concerning impact zones. It is recommended tat the Department of Energy Oak Ridge Operations examine the potential for off-site impact and develop the background data to prepare impact zones for releases of hazardous materials from the Y-12 facility.« less

Life cycle impact assessment of ammonia production in Algeria: A comparison with previous studies

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

Makhlouf, Ali, E-mail: almakhsme@gmail.com; Serradj, Tayeb; Cheniti, Hamza

In this paper, a Life Cycle Analysis (LCA) from “cradle to gate” of one anhydrous ton of ammonia with a purity of 99% was achieved. Particularly, the energy and environmental performance of the product (ammonia) were evaluated. The eco-profile of the product and the share of each stage of the Life Cycle on the whole environmental impacts have been evaluated. The flows of material and energy for each phase of the life cycle were counted and the associated environmental problems were identified. Evaluation of the impact was achieved using GEMIS 4.7 software. The primary data collection was executed at themore » production installations located in Algeria (Annaba locality). The analysis was conducted according to the LCA standards ISO 14040 series. The results show that Cumulative Energy Requirement (CER) is of 51.945 × 10{sup 3} MJ/t of ammonia, which is higher than the global average. Global Warming Potential (GWP) is of 1.44 t CO{sub 2} eq/t of ammonia; this value is lower than the world average. Tropospheric ozone precursor and Acidification are also studied in this article, their values are: 549.3 × 10{sup −6} t NMVOC eq and 259.3 × 10{sup −6} t SO{sub 2} eq respectively.« less

Last Mile Asset Monitoring; Low Cost Rapid Deployment Asset Monitoring

NASA Astrophysics Data System (ADS)

Zumr, Zdenek

Installation and utilization of residential distribution transformers has not changed substantially over a long period of time. Utilities typically size their transformers based on a formula that takes into account broadly what types and how many dwellings will be connected. Most new residential dwellings feature 200 Amp service per household with an anticipated energy demand of under 20,000 kWh per year. Average electrical energy consumption varies from state to state but averages to 11,280 kWh per year. Energy demand is expected to fall into a typical residential load curve that shows increased demand early in the morning, then decreasing during the day and another peak early to late evening. Distribution transformers are sized at the limit of the combined evening peak with the assumption that the transformer has enough thermal mass to absorb short overloads that may occur when concurrent loading situations among multiple dwellings arise. The assumption that concurrent loading is of short duration and the transformer can cool off during the night time has been validated over the years and has become standard practice. This has worked well when dwelling loads follow an averaging scheme and low level of coincidence. With the arrival of electric vehicles (EV's) this assumption has to be reevaluated. The acquisition of an electric vehicle in a household can drive up energy demand by over 4000 kWh per year. Potentially problematic is the increased capacity of battery packs and the resulting proliferation of Level 2 chargers. The additional load of a single Level 2 charger concurring with the combined evening peak load will push even conservatively sized distribution transformers over their nameplate rating for a substantial amount of time. Additionally, unlike common household appliances of similar power requirements such as ovens or water heaters, a Level 2 battery charger will run at peak power consumption for several hours, and the current drawn by the EVs has very high levels of harmonic distortion. The excessive loading and harmonic profile can potentially result in damaging heat build-up resulting in asset degradation. In this thesis I present a device and method that monitors pole mounted distribution transformers for overheating, collect and wirelessly upload data and initiate commands to chargers to change output levels from Level 2 to Level 1 or shut down EV charging altogether until the transformer returns into safe operational range.

Estimating Energy Conversion Efficiency of Thermoelectric Materials: Constant Property Versus Average Property Models

NASA Astrophysics Data System (ADS)

Armstrong, Hannah; Boese, Matthew; Carmichael, Cody; Dimich, Hannah; Seay, Dylan; Sheppard, Nathan; Beekman, Matt

2017-01-01

Maximum thermoelectric energy conversion efficiencies are calculated using the conventional "constant property" model and the recently proposed "cumulative/average property" model (Kim et al. in Proc Natl Acad Sci USA 112:8205, 2015) for 18 high-performance thermoelectric materials. We find that the constant property model generally predicts higher energy conversion efficiency for nearly all materials and temperature differences studied. Although significant deviations are observed in some cases, on average the constant property model predicts an efficiency that is a factor of 1.16 larger than that predicted by the average property model, with even lower deviations for temperature differences typical of energy harvesting applications. Based on our analysis, we conclude that the conventional dimensionless figure of merit ZT obtained from the constant property model, while not applicable for some materials with strongly temperature-dependent thermoelectric properties, remains a simple yet useful metric for initial evaluation and/or comparison of thermoelectric materials, provided the ZT at the average temperature of projected operation, not the peak ZT, is used.

Product lifetime, energy efficiency and climate change: A case study of air conditioners in Japan.

PubMed

Nishijima, Daisuke

2016-10-01

This study proposed a modelling technique for estimating life-cycle CO2 emissions of durable goods by considering changes in product lifetime and energy efficiency. The stock and flow of durable goods was modelled by Weibull lifetime distributions and the trend in annual energy efficiency (i.e., annual electricity consumption) of an "average" durable good was formulated as a reverse logistic curve including a technologically critical value (i.e., limit energy efficiency) with respect to time. I found that when the average product lifetime is reduced, there is a trade-off between the reduction in emissions during product use (use phase), due to the additional purchases of new, more energy-efficient air conditioners, and the increase in emissions arising from the additional production of new air conditioners stimulated by the reduction of the average product lifetime. A scenario analysis focused on residential air conditioners in Japan during 1972-2013 showed that for a reduction of average lifetime of 1 year, if the air conditioner energy efficiency limit can be improved by 1.4% from the estimated current efficiency level, then CO2 emissions can be reduced by approximately the same amount as for an extension of average product lifetime of 1 year. Copyright © 2016 Elsevier Ltd. All rights reserved.

Shale characterization on Barito field, Southeast Kalimantan for shale hydrocarbon exploration

NASA Astrophysics Data System (ADS)

Sumotarto, T. A.; Haris, A.; Riyanto, A.; Usman, A.

2017-07-01

Exploration and exploitation in Indonesia now are still focused on conventional hydrocarbon energy than unconventional hydrocarbon energy such as shale gas. Tanjung Formation is a source rock of Barito Basin located in South Kalimantan that potentially as shale hydrocarbon. In this research, integrated methods using geochemical analysis, mineralogy, petrophysical analysis and seismic interpretation has been applied to explore the shale hydrocarbon potential in Barito Field for Tanjung formation. The first step is conducting geochemical and mineralogy analysis to the shale rock sample. Our analysis shows that the organic richness is ranging from 1.26-5.98 wt.% (good to excellent) with the depth of early mature window of 2170 m. The brittleness index is in an average of 0.44-0.56 (less Brittle) and Kerogen type is classified into II/III type that potentially produces oil and gas. The second step is continued by performing petrophysical analysis, which includes Total Organic Carbon (TOC) calculation and brittleness index continuously. The result has been validated with a laboratory measurement that obtained a good correlation. In addition, seismic interpretation based on inverted acoustic impedance is applied to map the distributions of shale hydrocarbon potential. Our interpretation shows that shale hydrocarbon potential is localized in the eastern and southeastern part of the study area.

Municipal wastewater sludge as a sustainable bioresource in the United States.

PubMed

Seiple, Timothy E; Coleman, André M; Skaggs, Richard L

2017-07-15

Within the United States and Puerto Rico, publicly owned treatment works (POTWs) process 130.5 Gl/d (34.5 Bgal/d) of wastewater, producing sludge as a waste product. Emerging technologies offer novel waste-to-energy pathways through whole sludge conversion into biofuels. Assessing the feasibility, scalability and tradeoffs of various energy conversion pathways is difficult in the absence of highly spatially resolved estimates of sludge production. In this study, average wastewater solids concentrations and removal rates, and site specific daily average influent flow are used to estimate site specific annual sludge production on a dry weight basis for >15,000 POTWs. Current beneficial uses, regional production hotspots and feedstock aggregation potential are also assessed. Analyses indicate 1) POTWs capture 12.56 Tg/y (13.84 MT/y) of dry solids; 2) 50% are not beneficially utilized, and 3) POTWs can support seven regions that aggregate >910 Mg/d (1000 T/d) of sludge within a travel distance of 100 km. Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.

Surface nanotexturing of tantalum by laser ablation in water

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

Barmina, E V; Simakin, Aleksandr V; Shafeev, Georgii A

2009-01-31

Surface nanotexturing of tantalum by ablation with short laser pulses in water has been studied experimentally using three ablation sources: a neodymium laser with a pulse duration of 350 ps, an excimer laser (248 nm) with a pulse duration of 5 ps and a Ti:sapphire laser with a pulse duration of 180 fs. The morphology of the nanotextured surfaces has been examined using a nanoprofilometer and field emission scanning electron microscope. The results demonstrate that the average size of the hillocks produced on the target surface depends on the laser energy density and is {approx}200 nm at an energy densitymore » approaching the laser-melting threshold of tantalum and a pulse duration of 350 ps. Their surface density reaches 10{sup 6} cm{sup -2}. At a pulse duration of 5 ps, the average hillock size is 60-70 nm. Nanotexturing is accompanied by changes in the absorption spectrum of the tantalum surface in the UV and visible spectral regions. The possible mechanisms of surface nanotexturing and potential applications of this effect are discussed. (nanostructures)« less

Neural network and wavelet average framing percentage energy for atrial fibrillation classification.

PubMed

Daqrouq, K; Alkhateeb, A; Ajour, M N; Morfeq, A

2014-03-01

ECG signals are an important source of information in the diagnosis of atrial conduction pathology. Nevertheless, diagnosis by visual inspection is a difficult task. This work introduces a novel wavelet feature extraction method for atrial fibrillation derived from the average framing percentage energy (AFE) of terminal wavelet packet transform (WPT) sub signals. Probabilistic neural network (PNN) is used for classification. The presented method is shown to be a potentially effective discriminator in an automated diagnostic process. The ECG signals taken from the MIT-BIH database are used to classify different arrhythmias together with normal ECG. Several published methods were investigated for comparison. The best recognition rate selection was obtained for AFE. The classification performance achieved accuracy 97.92%. It was also suggested to analyze the presented system in an additive white Gaussian noise (AWGN) environment; 55.14% for 0dB and 92.53% for 5dB. It was concluded that the proposed approach of automating classification is worth pursuing with larger samples to validate and extend the present study. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

A piezoelectric energy harvester for broadband rotational excitation using buckled beam

NASA Astrophysics Data System (ADS)

Xie, Zhengqiu; Kitio Kwuimy, C. A.; Wang, Zhiguo; Huang, Wenbin

2018-01-01

This paper proposes a rotational energy harvester using a piezoelectric bistable buckled beam to harvest low-speed rotational energy. The proposed harvester consists of a piezoelectric buckled beam with a center magnet, and a rotary magnet pair with opposite magnetic poles mounted on a revolving host. The magnetic plucking is used to harvest the angular kinetic energy of the host. The nonlinear snap-through mechanism is utilized to improve the vibration displacement and output voltage of the piezoelectric layer over a wide rotation frequency range. Theoretical simulation and experimental results show that the proposed energy harvester can yield a stable average output power ranging between 6.91-48.01 μW over a rotation frequency range of 1-14 Hz across a resistance load of 110 kΩ. Furthermore, dual attraction magnets were employed to overcome the suppression phenomenon at higher frequencies, which yields a broadband and flat frequency response over 6-14 Hz with the output power reaching 42.19-65.44 μW, demonstrating the great potential of the bistable buckled beam for wideband rotation motion energy harvesting.

DFT study of gases adsorption on sharp tip nano-catalysts surface for green fertilizer synthesis

NASA Astrophysics Data System (ADS)

Yahya, Noorhana; Irfan, Muhammad; Shafie, Afza; Soleimani, Hassan; Alqasem, Bilal; Rehman, Zia Ur; Qureshi, Saima

2016-11-01

The energy minimization and spin modifications of sorbates with sorbents in magnetic induction method (MIM) play a vital role in yield of fertilizer. Hence, in this article the focus of study is the interaction of sorbates/reactants (H2, N2 and CO2) in term of average total adsorption energies, average isosteric heats of adsorption energies, magnetic moments, band gaps energies and spin modifications over identical cone tips nanocatalyst (sorbents) of Fe2O3, Fe3O4 (magnetic), CuO and Al2O3 (non-magnetic) for green nano-fertilizer synthesis. Study of adsorption energy, band structures and density of states of reactants with sorbents are purely classical and quantum mechanical based concepts that are vividly illustrated and supported by ADSORPTION LOCATOR and Cambridge Seriel Total Energy Package (CASTEP) modules following classical and first principle DFT simulation study respectively. Maximum values of total average energies, total average adsorption energies and average adsorption energies of H2, N2 and CO2 molecules are reported as -14.688 kcal/mol, -13.444 kcal/mol, -3.130 kcal/mol, - kcal/mol and -6.348 kcal/mol over Al2O3 cone tips respectively and minimum over magnetic cone tips. Whereas, the maximum and average minimum values of average isosteric heats of adsorption energies of H2, N2 and CO2 molecules are figured out to be 3.081 kcal/mol, 4.842 kcal/mol and 6.848 kcal/mol, 0.988 kcal/mol, 1.554 kcal/mol and 2.236 kcal/mol over aluminum oxide and Fe3O4 cone tips respectively. In addition to the adsorption of reactants over identical cone sorbents the maximum and minimum values of net spin, electrons and number of bands for magnetite and aluminum oxide cone structures are attributed to 82 and zero, 260 and 196, 206 and 118 for Fe3O4 and Al2O3 cones respectively. Maximum and least observed values of band gap energies are figured out to be 0.188 eV and 0.018 eV with Al2O3 and Fe3O4 cone structures respectively. Ultimately, with the adsorption of reactants an identical increment of 14 electrons each in up and down spins is resulted.

Thermal Harvesting Potential of the Human Body

NASA Astrophysics Data System (ADS)

Thielen, Moritz; Kara, Gökhan; Unkovic, Ivana; Majoe, Dennis; Hierold, Christofer

2018-06-01

Thermoelectric energy harvesting of human body heat might supplement or even replace conventional energy storage in wearable devices for healthcare and the Internet of Humans. Although a number of thermal harvesters are presented in the literature, no conclusive data can be found on the amount of available thermal energy provided by different individuals and activities. We here present the results of an observational study with 56 test subjects of different ages (children, adults and elderly) and gender, performing predefined activities (sitting, walking) in varying environments (indoor, outdoor). Our study showed a statistical difference of thermal potential and skin properties between age groups, but not between genders. On average, stationary elderly test subjects produced ˜ 32% less heat flux compared to minors (mean: children = 13.9 mW/cm2, adults = 11.4 mW/cm2, elderly = 9.4 mW/cm2). This potentially correlates with an increase in thermal skin resistance with age (children = 494 cm2 K/W, adults = 549 cm2 K/W, elderly = 835 cm2 K/W). The mean harvested power varied from 12.2 μW/cm2 (elderly) to 26.2 μW/cm2 (children) for stationary, and from 20.2 μW/cm2 (elderly) to 69.5 μW/cm2 (children) for active subjects inside of a building. The findings of this study can be used to better anticipate the available energy for different usage scenarios of thermal harvesters and optimize wearable systems accordingly.

Thermal Harvesting Potential of the Human Body

NASA Astrophysics Data System (ADS)

Thielen, Moritz; Kara, Gökhan; Unkovic, Ivana; Majoe, Dennis; Hierold, Christofer

2018-02-01

Thermoelectric energy harvesting of human body heat might supplement or even replace conventional energy storage in wearable devices for healthcare and the Internet of Humans. Although a number of thermal harvesters are presented in the literature, no conclusive data can be found on the amount of available thermal energy provided by different individuals and activities. We here present the results of an observational study with 56 test subjects of different ages (children, adults and elderly) and gender, performing predefined activities (sitting, walking) in varying environments (indoor, outdoor). Our study showed a statistical difference of thermal potential and skin properties between age groups, but not between genders. On average, stationary elderly test subjects produced ˜ 32% less heat flux compared to minors (mean: children = 13.9 mW/cm2, adults = 11.4 mW/cm2, elderly = 9.4 mW/cm2). This potentially correlates with an increase in thermal skin resistance with age (children = 494 cm2 K/W, adults = 549 cm2 K/W, elderly = 835 cm2 K/W). The mean harvested power varied from 12.2 μW/cm2 (elderly) to 26.2 μW/cm2 (children) for stationary, and from 20.2 μW/cm2 (elderly) to 69.5 μW/cm2 (children) for active subjects inside of a building. The findings of this study can be used to better anticipate the available energy for different usage scenarios of thermal harvesters and optimize wearable systems accordingly.

A bone marrow toxicity model for 223Ra alpha-emitter radiopharmaceutical therapy

NASA Astrophysics Data System (ADS)

Hobbs, Robert F.; Song, Hong; Watchman, Christopher J.; Bolch, Wesley E.; Aksnes, Anne-Kirsti; Ramdahl, Thomas; Flux, Glenn D.; Sgouros, George

2012-05-01

Ra-223, an α-particle emitting bone-seeking radionuclide, has recently been used in clinical trials for osseous metastases of prostate cancer. We investigated the relationship between absorbed fraction-based red marrow dosimetry and cell level-dosimetry using a model that accounts for the expected localization of this agent relative to marrow cavity architecture. We show that cell level-based dosimetry is essential to understanding potential marrow toxicity. The GEANT4 software package was used to create simple spheres representing marrow cavities. Ra-223 was positioned on the trabecular bone surface or in the endosteal layer and simulated for decay, along with the descendants. The interior of the sphere was divided into cell-size voxels and the energy was collected in each voxel and interpreted as dose cell histograms. The average absorbed dose values and absorbed fractions were also calculated in order to compare those results with previously published values. The absorbed dose was predominantly deposited near the trabecular surface. The dose cell histogram results were used to plot the percentage of cells that received a potentially toxic absorbed dose (2 or 4 Gy) as a function of the average absorbed dose over the marrow cavity. The results show (1) a heterogeneous distribution of cellular absorbed dose, strongly dependent on the position of the cell within the marrow cavity; and (2) that increasing the average marrow cavity absorbed dose, or equivalently, increasing the administered activity resulted in only a small increase in potential marrow toxicity (i.e. the number of cells receiving more than 4 or 2 Gy), for a range of average marrow cavity absorbed doses from 1 to 20 Gy. The results from the trabecular model differ markedly from a standard absorbed fraction method while presenting comparable average dose values. These suggest that increasing the amount of radioactivity may not substantially increase the risk of toxicity, a result unavailable to the absorbed fraction method of dose calculation.

76 FR 65616 - Energy Conservation Program for Consumer Products: Test Procedures for Residential Central Air...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-10-24

... measure the energy efficiency, energy use or estimated annual operating cost of a covered product over an... the June 2010 NOPR would be used to determine the average power consumption of a residential central... residential central air conditioners, the unit's average power consumption during the heating season...

Three-dimensional infinite order sudden quantum theory for indirect photodissociation processes. Application to the photofragment yield spectrum of NOCl in the region of the T1(13A″) ←S0(11A') transition. Fragment rotational distributions and thermal averages

NASA Astrophysics Data System (ADS)

Grinberg, Horacio; Freed, Karl F.; Williams, Carl J.

1997-08-01

The analytical infinite order sudden (IOS) quantum theory of triatomic photodissociation, developed in paper I, is applied to study the indirect photodissociation of NOCl through a real or virtual intermediate state. The theory uses the IOS approximation for the dynamics in the final dissociative channels and an Airy function approximation for the continuum functions. The transition is taken as polarized in the plane of the molecule; symmetric top wave functions are used for both the initial and intermediate bound states; and simple semiempirical model potentials are employed for each state. The theory provides analytical expressions for the photofragment yield spectrum for producing particular final fragment ro-vibrational states as a function of the photon excitation energy. Computations are made of the photofragment excitation spectrum of NOCl in the region of the T1(13A″)←S0(11A') transition for producing the NO fragment in the vibrational states nNO=0, 1, and 2. The computed spectra for the unexcited nNO==0 and excited nNO=2 states are in reasonable agreement with experiment. However, some discrepancies are observed for the singly excited nNO=1 vibrational state, indicating deficiencies in the semiempirical potential energy surface. Computations for two different orientations of the in-plane transition dipole moment produce very similar excitation spectra. Calculations of fragment rotational distributions are performed for high values of the total angular momentum J, a feature that would be very difficult to perform with close-coupled methods. Computations are also made of the thermally averaged rotational energy distributions to simulate the conditions in actual supersonic jet experiments.

Absolute binding free energy calculations of CBClip host–guest systems in the SAMPL5 blind challenge

PubMed Central

Tofoleanu, Florentina; Pickard, Frank C.; König, Gerhard; Huang, Jing; Damjanović, Ana; Baek, Minkyung; Seok, Chaok; Brooks, Bernard R.

2016-01-01

Herein, we report the absolute binding free energy calculations of CBClip complexes in the SAMPL5 blind challenge. Initial conformations of CBClip complexes were obtained using docking and molecular dynamics simulations. Free energy calculations were performed using thermodynamic integration (TI) with soft-core potentials and Bennett’s acceptance ratio (BAR) method based on a serial insertion scheme. We compared the results obtained with TI simulations with soft-core potentials and Hamiltonian replica exchange simulations with the serial insertion method combined with the BAR method. The results show that the difference between the two methods can be mainly attributed to the van der Waals free energies, suggesting that either the simulations used for TI or the simulations used for BAR, or both are not fully converged and the two sets of simulations may have sampled difference phase space regions. The penalty scores of force field parameters of the 10 guest molecules provided by CHARMM Generalized Force Field can be an indicator of the accuracy of binding free energy calculations. Among our submissions, the combination of docking and TI performed best, which yielded the root mean square deviation of 2.94 kcal/mol and an average unsigned error of 3.41 kcal/mol for the ten guest molecules. These values were best overall among all participants. However, our submissions had little correlation with experiments. PMID:27677749

Risk for suicidal behaviors associated with alcohol and energy drink use in the US Army.

PubMed

Mash, Holly B Herberman; Fullerton, Carol S; Ramsawh, Holly J; Ng, Tsz Hin H; Wang, Leming; Kessler, Ronald C; Stein, Murray B; Ursano, Robert J

2014-09-01

Suicidal behaviors have increased in the US Army since 2005. To identify potential interventions for suicide risk, we examined the relationship between alcohol and energy drink use, independently and in combination, and rates of seriously considering and/or attempting suicide in US Army soldiers. This study used the DoD Survey of Health Related Behaviors Among Active Duty Military Personnel (DoD HRB), which sampled 10,400 Army soldiers, with 5,927 responses representing 508,088 soldiers. Use of energy drinks in combination with alcohol (A/ED) and average daily amount of alcohol consumption over the past 30 days and history of seriously considering and/or attempting suicide in the past year were assessed via self-report questions. Six percent of Army service members reported either seriously considering and/or attempting suicide in the past year. Twenty-six percent of soldiers reported A/ED. Those who reported the highest level of alcohol use were more likely to have seriously considered and/or attempted suicide. Soldiers who reported daily A/ED were over three times more likely to have reported suicidal ideation or attempts, and even after adjusting for overall alcohol consumption and energy drink use alone remained approximately two times (OR = 1.99) more likely to report suicidality. Combination alcohol and energy drink use and heavy alcohol use contribute to suicidality and may be targets for potential intervention to address suicide risk.

Simulation and Fabrication of Wagon-Wheel-Shaped Piezoelectric Transducer for Raindrop Energy Harvesting Application

NASA Astrophysics Data System (ADS)

Wong, Chin Hong; Dahari, Zuraini; Jumali, Mohammad Hafizuddin; Mohamed, Khairudin; Mohamed, Julie Juliewatty

2017-03-01

Harvesting vibrational energy from impacting raindrops using piezoelectric material has been proven to be a promising approach for future outdoor applications, providing a good alternative resource that can be applied in outdoor rainy environments. We present herein an optimum novel polyvinylidene fluoride (PVDF) piezoelectric transducer specifically developed to harvest raindrop energy. The finite-element method was applied for simulation and optimization of the piezoelectric raindrop energy harvester (PREH) using COMSOL Multiphysics software, investigating the electrical potential, surface charge density, and total displacement for different transducer dimensions. According to the simulation results, the structure that generated the highest electrical potential and surface charge density was a wagon-wheel-shaped structure consisting of six spokes with wheel diameter of 30 mm, spoke width of 2 mm, center pad diameter of 6 mm, and thickness of 25 μm. This optimum wagon-wheel-shaped device was then fabricated by spin coating of PVDF, sputtering of aluminum, a poling process, and computer numerical control machining of a polytetrafluoroethylene stand. The fabricated PREH was characterized by x-ray diffraction analysis and Fourier-transform infrared spectroscopy. Finally, the fabricated PREH was tested under actual rain conditions with an alternating current to direct current converter connected in parallel, revealing that a single cell could generate average peak voltage of 22.5 mV and produce electrical energy of 3.4 nJ from ten impacts in 20 s.

Assessment of Power Potential of Tidal Currents and Impacts of Power Extraction on Flow Speeds in Indonesia

NASA Astrophysics Data System (ADS)

Orhan, K.; Mayerle, R.

2016-12-01

A methodology comprising of the estimates of power yield, evaluation of the effects of power extraction on flow conditions, and near-field investigations to deliver wake characteritics, recovery and interactions is described and applied to several straits in Indonesia. Site selection is done with high-resolution, three-dimensional flow models providing sufficient spatiotemporal coverage. Much attention has been given to the meteorological forcing, and conditions at the open sea boundaries to adequately capture the density gradients and flow fields. Model verification using tidal records shows excellent agreement. Sites with adequate depth for the energy conversion using horizontal axis tidal turbines, average kinetic power density greater than 0.5 kW/m2, and surface area larger than 0.5km2 are defined as energy hotspots. Spatial variation of the average extractable electric power is determined, and annual tidal energy resource is estimated for the straits in question. The results showed that the potential for tidal power generation in Indonesia is likely to exceed previous predictions reaching around 4,800MW. To assess the impact of the devices, flexible mesh models with higher resolutions have been developed. Effects on flow conditions, and near-field turbine wakes are resolved in greater detail with triangular horizontal grids. The energy is assumed to be removed uniformly by sub-grid scale arrays of turbines, and calculations are made based on velocities at the hub heights of the devices. An additional drag force resulting in dissipation of the pre-existing kinetic power from %10 to %60 within a flow cross-section is introduced to capture the impacts. It was found that the effect of power extraction on water levels and flow speeds in adjacent areas is not significant. Results show the effectivess of the method to capture wake characteritics and recovery reasonably well with low computational cost.

Energy performance of net-zero and near net-zero energy homes in New England

NASA Astrophysics Data System (ADS)

Thomas, Walter D.

Net-Zero Energy Homes (NZEHs) are homes that consume no more energy than they produce on site during the course of a year. They are well insulated and sealed, use energy efficient appliances, lighting, and mechanical equipment, are designed to maximize the benefits from day lighting, and most often use a combination of solar hot water, passive solar and photovoltaic (PV) panels to produce their on-site energy. To date, NZEHs make up a miniscule percentage of homes in the United States, and of those, few have had their actual performance measured and analyzed once built and occupied. This research focused on 19 NZEHs and near net-zero energy homes (NNZEHs) built in New England. This set of homes had varying designs, numbers of occupants, and installed technologies for energy production, space heating and cooling, and domestic hot water systems. The author worked with participating homeowners to collect construction and systems specifications, occupancy information, and twelve months of energy consumption, production and cost measurements, in order to determine whether the homes reached their respective energy performance design goals. The author found that six out of ten NZEHs achieved net-zero energy or better, while all nine of the NNZEHs achieved an energy density (kWh/ft 2/person) at least half as low as the control house, also built in New England. The median construction cost for the 19 homes was 155/ft 2 vs. 110/ft2 for the US average, their average monthly energy cost was 84% below the average for homes in New England, and their estimated CO2 emissions averaged 90% below estimated CO2 emissions from the control house. Measured energy consumption averaged 14% below predictions for the NZEHs and 38% above predictions for the NNZEHs, while generated energy was within +/- 10% of predicted for 17 out of 18 on-site PV systems. Based on these results, the author concludes that these types of homes can meet or exceed their designed energy performance (depending on occupant behavior), can be affordably built, and will have very low energy costs and CO2 emissions compared to conventional homes. In short, they are very suitable for New England.

Towards representative energy data: the Machiguenga study.

PubMed

Montgomery, E

1978-01-01

Representative energy data for a human population can be produced by combining randomly sampled time allocation observations with activity-specific energy expenditure measurements. Research to produce representative energy data for adults of a population of Machiguenga Indians has recently been conducted in lowland, southeastern Peru. Marked contrast was found between the sexes for average married adults in energy expended on an average day. Men spent about 3,200 kcals and women, about 1,925; ratio: 1.66 to 1. In general, men tended to work at somewhat more energetic activities and for longer periods than did women. In addition to sex-role-related task differences were contrasts in uses of technological items and in respective work settings. These representative behavior data permit direct estimates of population-level energy requirements for average days, seasons, or for 1 year.

Modelling Ocean Dissipation in Icy Satellites: A Comparison of Linear and Quadratic Friction

NASA Astrophysics Data System (ADS)

Hay, H.; Matsuyama, I.

2015-12-01

Although subsurface oceans are confirmed in Europa, Ganymede, Callisto, and strongly suspected in Enceladus and Titan, the exact mechanism required to heat and maintain these liquid reservoirs over Solar System history remains a mystery. Radiogenic heating can supply enough energy for large satellites whereas tidal dissipation provides the best explanation for the presence of oceans in small icy satellites. The amount of thermal energy actually contributed to the interiors of these icy satellites through oceanic tidal dissipation is largely unquantified. Presented here is a numerical model that builds upon previous work for quantifying tidally dissipated energy in the subsurface oceans of the icy satellites. Recent semi-analytical models (Tyler, 2008 and Matsuyama, 2014) have solved the Laplace Tidal Equations to estimate the time averaged energy flux over an orbital period in icy satellite oceans, neglecting the presence of a solid icy shell. These models are only able to consider linear Rayleigh friction. The numerical model presented here is compared to one of these semi-analytical models, finding excellent agreement between velocity and displacement solutions for all three terms to the tidal potential. Time averaged energy flux is within 2-6% of the analytical values. Quadratic (bottom) friction is then incorporated into the model, replacing linear friction. This approach is commonly applied to terrestrial ocean dissipation studies where dissipation scales nonlinearly with velocity. A suite of simulations are also run for the quadratic friction case which are then compared to and analysed against recent scaling laws developed by Chen and Nimmo (2013).

Application of dual-energy CT to suppression of metal artefact caused by pedicle screw fixation in radiotherapy: a feasibility study using original phantom

NASA Astrophysics Data System (ADS)

Wang, Tianyuan; Ishihara, Takeaki; Kono, Atsushi; Yoshida, Naoki; Akasaka, Hiroaki; Mukumoto, Naritoshi; Yada, Ryuichi; Ejima, Yasuo; Yoshida, Kenji; Miyawaki, Daisuke; Kakutani, Kenichiro; Nishida, Kotaro; Negi, Noriyuki; Minami, Toshiaki; Aoyama, Yuuichi; Takahashi, Satoru; Sasaki, Ryohei

2017-08-01

The objective of the present study was the determination of the potential dosimetric benefits of using metal-artefact-suppressed dual-energy computed tomography (DECT) images for cases involving pedicle screw implants in spinal sites. A heterogeneous spinal phantom was designed for the investigation of the dosimetric effect of the pedicle-screw-related artefacts. The dosimetric comparisons were first performed using a conventional two-directional opposed (AP-PA) plan, and then a volumetric modulated arc therapy (VMAT) plan, which are both used for the treatment of spinal metastases in our institution. The results of Acuros® XB dose-to-medium (Dm) and dose-to-water (Dw) calculations using different imaging options were compared with experimental measurements including the chamber and film dosimetries in the spinal phantom. A dual-energy composition image with a weight factor of  -0.2 and a dual-energy monochromatic image (DEMI) with an energy level of 180 keV were found to have superior abilities for artefact suppression. The Dm calculations revealed greater dosimetric effects of the pedicle screw-related artefacts compared to the Dw calculations. The results of conventional single-energy computed tomography showed that, although the pedicle screws were made from low-Z titanium alloy, the metal artefacts still have dosimetric effects, namely, an average (maximum) Dm error of 4.4% (5.6%) inside the spinal cord for a complex VMAT treatment plan. Our findings indicate that metal-artefact suppression using the proposed DECT (DEMI) approach is promising for improving the dosimetric accuracy near the implants and inside the spinal cord (average (maximum) Dm error of 1.1% (2.0%)).

Near-bottom energy cascade from subinertial flows to ocean mixing in the northeastern South China Sea

NASA Astrophysics Data System (ADS)

Zhang, Y.; Liu, Z.; Zhao, Y.; Wang, W.; Li, J.; Xu, J.

2013-12-01

The motions with different scales in the bottom boundary layer are potentially important in controlling the water mass transportation. Many physical processes are involved in transferring energy from mesoscale to small-scale motions. Recent studies suggest that subinertial flows should be taken into account in the parameterization of deep-ocean mixing besides topography and tidal forcing. Here, we present the current velocity data obtained from 2 moored downward-looking ADCPs (Acoustic Doppler Current Profiler) and 1 RCM (Recording Current Meter) moored near the bottom boundary layer at a water depth of about 2000 m in the northeastern South China Sea from 2012 to 2013. Specifically, they include an ADCP 1200 kHz deployed at 30 m, an ADCP 300 kHz deployed at 110 m, and a RCM deployed at 40 m above the seafloor. Subinertial flows were calculated from the moored current velocity data by low-pass filtering with a cutoff frequency of 0.3 cycles per day (the local inertial period is about 35 hours). The horizontal subinertial flows were quite strong with average values of 2-5 cm/s. The strong downward vertical velocity with average values of 1-2 cm/s was observed during times of weak subinertial flows. The vertical propagation during both the times of weak and strong subinertial flows can also be shown by vector spectra of horizontal near-inertial current velocity. Turbulent kinetic energy production rate estimated indirectly with the variances of ADCP velocities will be compared with the subinertial kinetic energy to detect the processes of energy cascade from mesoscale motions to small-scale oscillations. The results presented in this study can provide an observational evidence for such energy cascade near the bottom boundary layer in the deep South China Sea.

Pair-correlated stereodynamics for diatom-diatom rotational energy transfer: NO(A2Σ+) + N2

NASA Astrophysics Data System (ADS)

Luxford, Thomas F. M.; Sharples, Thomas R.; McKendrick, Kenneth G.; Costen, Matthew. L.

2017-07-01

We have performed a crossed molecular beam velocity-map ion imaging study of state-to-state rotational energy transfer of NO(A2Σ+, v = 0, N = 0, j = 0.5) in collisions with N2 and have measured rotational angular momentum polarization dependent images of product NO(A) rotational levels N' = 3 and 5-11 for collisions at an average energy of 797 cm-1. We present an extension of our previously published [T. F. M. Luxford et al., J. Chem. Phys. 145, 174 304 (2016)] image analysis which includes the effect of rotational excitation of the unobserved collision partner and critically evaluate this methodology. We report differential cross sections and angle-resolved angular momentum alignment moments for NO(A) levels N' = 3 and 5-11 as a function of the rotational excitation of the coincident N2 partner. The scattering dynamics of NO(A) + N2 share similarities with those previously reported for NO(A) + Ne and Ar, although with detailed differences. We use comparison of the measurements reported here to the scattering of NO(A) with Ne, and the known NO(A)-Ne potential energy surface, to draw conclusions about the previously unknown NO(A)-N2 potential.

Design of a quasi-flat linear permanent magnet generator for pico-scale wave energy converter in south coast of Yogyakarta, Indonesia

NASA Astrophysics Data System (ADS)

Azhari, Budi; Prawinnetou, Wassy; Hutama, Dewangga Adhyaksa

2017-03-01

Indonesia has several potential ocean energies to utilize. One of them is tidal wave energy, which the potential is about 49 GW. To convert the tidal wave energy to electricity, linear permanent magnet generator (LPMG) is considered as the best appliance. In this paper, a pico-scale tidal wave power converter was designed using quasi-flat LPMG. The generator was meant to be applied in southern coast of Yogyakarta, Indonesia and was expected to generate 1 kW output. First, a quasi-flat LPMG was designed based on the expected output power and the wave characteristic at the placement site. The design was then simulated using finite element software of FEMM. Finally, the output values were calculated and the output characteristics were analyzed. The results showed that the designed power plant was able to produce output power of 725.78 Wp for each phase, with electrical efficiency of 64.5%. The output characteristics of the LPMG: output power would increase as the average wave height or wave period increases. Besides, the efficiency would increase if the external load resistance increases. Meanwhile the output power of the generator would be maximum at load resistance equals 11 Ω.

Evaluation of the solar conditions for the acquisitions of energy from renewable sources on the base of Sosnowiec city (Poland)

NASA Astrophysics Data System (ADS)

Sarapata, Sonia

2014-09-01

The country's energy security risk, as well as a desire to protect the environment from the pollution and degradation which are the results of conventional fuels acquisition - these was a motivation for intensive researches on the use of renewable energy sources in eco - innovative installations. Solar radiation is one of the self - renewable energy sources which can be used both as a source of electricity and heat. The area of research is Sosnowiec city located in the south of Poland in the eastern part of Silesia voivodeship. The solar radiation data covering the years 2003 to 2013 was used. The intra - annual variability of daily averaged solar radiation hesitated in a wide range from 0.6 kWh/m2 (December) to 5.2 kWh/m2 (June). Day duration varies on average from 10 hours in January, November and December to 17 hours in May, June and July. Day occupies 56% of the 8767 hours in year. On average the largest amount of energy reached the analyzed area in July: 157 kWh/m2 (15% of the annual average), while the smallest in December: 18 kWh/m2 (less than 2% of the annual average). The 75% of the average annual total of energy falls on the period from 1st March to 31th August (spring - summer). The range of the annual solar radiation was determined by the minimum of 980 kWh/m2 and the maximum of 1094 kWh/m2. In Sosnowiec the average annual irradiation total on the horizontal surface amounts to 1052 kWh/m2 (2003 - 2013)

Energy demand on dairy farms in Ireland.

PubMed

Upton, J; Humphreys, J; Groot Koerkamp, P W G; French, P; Dillon, P; De Boer, I J M

2013-10-01

Reducing electricity consumption in Irish milk production is a topical issue for 2 reasons. First, the introduction of a dynamic electricity pricing system, with peak and off-peak prices, will be a reality for 80% of electricity consumers by 2020. The proposed pricing schedule intends to discourage energy consumption during peak periods (i.e., when electricity demand on the national grid is high) and to incentivize energy consumption during off-peak periods. If farmers, for example, carry out their evening milking during the peak period, energy costs may increase, which would affect farm profitability. Second, electricity consumption is identified in contributing to about 25% of energy use along the life cycle of pasture-based milk. The objectives of this study, therefore, were to document electricity use per kilogram of milk sold and to identify strategies that reduce its overall use while maximizing its use in off-peak periods (currently from 0000 to 0900 h). We assessed, therefore, average daily and seasonal trends in electricity consumption on 22 Irish dairy farms, through detailed auditing of electricity-consuming processes. To determine the potential of identified strategies to save energy, we also assessed total energy use of Irish milk, which is the sum of the direct (i.e., energy use on farm) and indirect energy use (i.e., energy needed to produce farm inputs). On average, a total of 31.73 MJ was required to produce 1 kg of milk solids, of which 20% was direct and 80% was indirect energy use. Electricity accounted for 60% of the direct energy use, and mainly resulted from milk cooling (31%), water heating (23%), and milking (20%). Analysis of trends in electricity consumption revealed that 62% of daily electricity was used at peak periods. Electricity use on Irish dairy farms, therefore, is substantial and centered around milk harvesting. To improve the competitiveness of milk production in a dynamic electricity pricing environment, therefore, management changes and technologies are required that decouple energy use during milking processes from peak periods. Copyright © 2013 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Relativity and the lead-acid battery.

PubMed

Ahuja, Rajeev; Blomqvist, Andreas; Larsson, Peter; Pyykkö, Pekka; Zaleski-Ejgierd, Patryk

2011-01-07

The energies of the solid reactants in the lead-acid battery are calculated ab initio using two different basis sets at nonrelativistic, scalar-relativistic, and fully relativistic levels, and using several exchange-correlation potentials. The average calculated standard voltage is 2.13 V, compared with the experimental value of 2.11 V. All calculations agree in that 1.7-1.8 V of this standard voltage arise from relativistic effects, mainly from PbO2 but also from PbSO4.

Radiation Surveys of the Naval Postgraduate School LINAC.

DTIC Science & Technology

1992-06-01

personnel dosimetry at the NPS LINAC. This will result in the reduction of the TLD measured neutron dose evaluation for personnel. Accession For NTIS F. A...29 ix Figure 16: Average TLD NECF for electron energy and slit width co m b inatio ns...values obtained at 90 MeV electron energy, or NECFfmal = 0.341 ± 0.015 TABLE 5: AVERAGE TLD NEUTRON ENERGY CORRECTION FACTORS Electron Energy S lit

10 CFR Appendix P to Subpart B of... - Uniform Test Method for Measuring the Energy Consumption of Pool Heaters

Code of Federal Regulations, 2012 CFR

2012-01-01

...-1994. The expression of fuel consumption for oil-fired pool heaters shall be in Btu. 4.2Average annual fossil fuel energy for pool heaters. The average annual fuel energy for pool heater, EF, is defined as... of pool operating hours=4464 h QIN=rated fuel energy input as defined according to 2.9.1 or 2.9.2 of...

Calculation of total free energy yield as an alternative approach for predicting the importance of potential chemolithotrophic reactions in geothermal springs.

PubMed

Dodsworth, Jeremy A; McDonald, Austin I; Hedlund, Brian P

2012-08-01

To inform hypotheses regarding the relative importance of chemolithotrophic metabolisms in geothermal environments, we calculated free energy yields of 26 chemical reactions potentially supporting chemolithotrophy in two US Great Basin hot springs, taking into account the effects of changing reactant and product activities on the Gibbs free energy as each reaction progressed. Results ranged from 1.2 × 10(-5) to 3.6 J kg(-1) spring water, or 3.7 × 10(-5) to 11.5 J s(-1) based on measured flow rates, with aerobic oxidation of CH(4) or NH4 + giving the highest average yields. Energy yields calculated without constraining pH were similar to those at constant pH except for reactions where H(+) was consumed, which often had significantly lower yields when pH was unconstrained. In contrast to the commonly used normalization of reaction chemical affinities per mole of electrons transferred, reaction energy yields for a given oxidant varied by several orders of magnitude and were more sensitive to differences in the activities of products and reactants. The high energy yield of aerobic ammonia oxidation is consistent with previous observations of significant ammonia oxidation rates and abundant ammonia-oxidizing archaea in sediments of these springs. This approach offers an additional lens through which to view the thermodynamic landscape of geothermal springs. © 2012 Federation of European Microbiological Societies. Published by Blackwell Publishing Ltd. All rights reserved.

Why Is Benzene Unique? Screening Magnetic Properties of C6 H6 Isomers.

PubMed

Janda, Tomáš; Foroutan-Nejad, Cina

2018-05-25

Magnetic properties are commonly used to identify new aromatic molecules because it is generally believed that magnetization and energetic stability are correlated. To verify the potential correlation between the energy and magnetic response properties, we examined a set of 198 isomers of C 6 H 6 . The energy and magnetic properties of these molecules can be directly compared with no need to invoke any arbitrary reference state because the studied systems are all isomers. Benzene is the global minimum on the potential energy surface of C 6 H 6 , 35 kcal mol -1 lower in energy than the second most stable isomer, fulvene. Unlike its electronic energy, isotropic magnetizability of benzene is slightly lower than the average magnetizability of its isomers. Altogether, 44 isomers of C 6 H 6 were identified to have more negative magnetic susceptibility than benzene but were between 67.0 to 168.6 kcal mol -1 higher in energy than benzene. However, benzene is unique in two ways. Analyzing the paramagnetic contribution to the magnetic susceptibility as originally suggested by Bilde and Hansen (Mol. Phys., 1997, 92, 237) revealed that 53 molecules have lower paramagnetic susceptibility than benzene but among monocyclic systems benzene has the least paramagnetic susceptibility. Furthermore, benzene has the largest out-of-plane magnetic susceptibility that originates from the strongest ring current among all studied species. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Produced Water Treatment Using Geothermal Energy from Oil and Gas Wells: An Appropriateness of Decommissioned Wells Index (ADWI) Approach

NASA Astrophysics Data System (ADS)

Kiaghadi, A.; Rifai, H. S.

2016-12-01

This study investigated the feasibility of harnessing geothermal energy from retrofitted oil and gas decommissioned wells to power desalination units and overcome the produced water treatment energy barrier. Previous studies using heat transfer models have indicated that well depth, geothermal gradient, formation heat conductivity, and produced water salt levels were the most important constraints that affect the achievable volume of treated water. Thus, the challenge of identifying which wells would be best suited for retrofit as geothermal wells was addressed by defining an Appropriateness of Decommissioned Wells Index (ADWI) using a 25 km x 25 km grid over Texas. Heat transfer modeling combined with fuzzy logic methodology were used to estimate the ADWI at each grid cell using the scale of Very Poor, Poor, Average, Good and Excellent. Values for each of the four constraints were extracted from existing databases and were used to select 20 representative values that covered the full range of the data. A heat transfer model was run for all the 160,000 possible combination scenarios and the results were regressed to estimate weighting coefficients that indicate the relative effect of well depth, geothermal gradient, heat conductivity, and produced water salt levels on the volume of treated water in Texas. The results indicated that wells located in cells with ADWI of "Average", "Good" or "Excellent" can potentially deliver 35,000, 106,000, or 240,000 L/day of treated water, respectively. Almost 98% of the cells in the Granite Wash, 97% in Eagle Ford Shale, 90% in Haynesville Shale, 79% in Permian Basin, and 78% in Barnett Shale were identified as better than "Average" locations; whereas, south of the Eagle Ford, southwestern Permian Basin, and the center of Granite Wash were "Excellent". Importantly, most of the locations with better than "Average" ADWI are within drought prone agricultural regions that would benefit from this resilient source of clean water.

Monte Carlo study of one-dimensional confined fluids with Gay-Berne intermolecular potential

NASA Astrophysics Data System (ADS)

Moradi, M.; Hashemi, S.

2011-11-01

The thermodynamic quantities of a one dimensional system of particles with Gay-Berne model potential confined between walls have been obtained by means of Monte Carlo computer simulations. For a number of temperatures, the systems were considered and their density profiles, order parameter, pressure, configurational temperature and average potential energy per particle are reported. The results show that by decreasing the temperature, the soft particles become more ordered and they align to the walls and also they don't show any tendency to be near the walls at very low temperatures. We have also changed the structure of the walls by embedding soft ellipses in them, this change increases the total density near the wall whereas, increasing or decreasing the order parameter depend on the angle of embedded ellipses.

The forward rainbow scattering of low energy protons by a graphene sheet

NASA Astrophysics Data System (ADS)

Ćosić, M.; Petrović, S.; Nešković, N.

2018-05-01

This article studies the rainbow scattering of 5-keV protons by the single sheet of free-standing graphene and its possible use as a tool for investigation of the ion-graphene interaction. The proton-graphene interaction potential was constructed by using the Doyle-Turner, ZBL, and Molière proton-carbon interaction potentials. The thermal motion of carbon atoms was included by averaging the potentials according to the Debye model. Proton trajectories were obtained by numerical solution of the corresponding Newton equations of motion. They were used to obtain the mapping of the proton initial positions to their scattering angles. Morphological properties of the introduced mapping including its multiplicity and the rainbow singularities were used to explain important features of the obtained angular distributions of transmitted protons.

Giant Peak Voltage of Thermopower Waves Driven by the Chemical Potential Gradient of Single-Crystalline Bi2 Te3.

PubMed

Singh, Swati; Mun, Hyeona; Lee, Sanghoon; Kim, Sung Wng; Baik, Seunghyun

2017-09-01

The self-propagating exothermic chemical reaction with transient thermovoltage, known as the thermopower wave, has received considerable attention recently. A greater peak voltage and specific power are still demanded, and materials with greater Seebeck coefficients have been previously investigated. However, this study employs an alternative mechanism of transient chemical potential gradient providing an unprecedentedly high peak voltage (maximum: 8 V; average: 2.3 V) and volume-specific power (maximum: 0.11 W mm -3 ; average: 0.04 W mm -3 ) using n-type single-crystalline Bi 2 Te 3 substrates. A mixture of nitrocellulose and sodium azide is used as a fuel, and ultraviolet photoelectron spectroscopy reveals a significant downshift in Fermi energy (≈5.09 eV) of the substrate by p-doping of the fuel. The induced electrical potential by thermopower waves has two distinct sources: the Seebeck effect and the transient chemical potential gradient. Surprisingly, the Seebeck effect contribution is less than 2.5% (≈201 mV) of the maximum peak voltage. The right combination of substrate, fuel doping, and anisotropic substrate geometry results in an order of magnitude greater transient chemical potential gradient (≈5.09 eV) upon rapid removal of fuel by exothermic chemical reaction propagation. The role of fuel doping and chemical potential gradient can be viewed as a key mechanism for enhanced heat to electric conversion performance. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Exact quantum scattering calculation of transport properties for free radicals: OH(X2Π)-helium.

PubMed

Dagdigian, Paul J; Alexander, Millard H

2012-09-07

Transport properties for OH-He are computed through quantum scattering calculations using the ab initio potential energy surfaces determined by Lee et al. [J. Chem. Phys. 113, 5736 (2000)]. To gauge the importance of the open-shell character of OH and the anisotropy of the potential on the transport properties, including the collision integrals Ω((1,1)) and Ω((2,2)), as well as the diffusion coefficient, calculations were performed with the full potential, with the difference potential V(dif) set to zero, and with only the spherical average of the potential. Slight differences (3%-5%) in the computed diffusion coefficient were found between the values obtained using the full potential and the truncated potentials. The computed diffusion coefficients were compared to recent experimental measurements and those computed with a Lennard-Jones (LJ) 12-6 potential. The values obtained with the full potential were slightly higher than the experimental values. The LJ 12-6 potential was found to underestimate the variation in temperature as compared to that obtained using the full OH-He ab initio potential.

Analytic Morse/long-range potential energy surfaces and "adiabatic-hindered-rotor" treatment for a symmetric top-linear molecule dimer: A case study of CH3F-H2

NASA Astrophysics Data System (ADS)

Zhang, Xiao-Long; Ma, Yong-Tao; Zhai, Yu; Li, Hui

2018-03-01

A first effective six-dimensional ab initio potential energy surface (PES) for CH3F-H2 which explicitly includes the intramolecular Q3 stretching normal mode of the CH3F monomer is presented. The electronic structure computations have been carried out at the explicitly correlated coupled cluster level of theory [CCSD(T)-F12a] with an augmented correlation-consistent triple zeta basis set. Five-dimensional analytical intermolecular PESs for ν3(CH3F) = 0 and 1 are then obtained by fitting the vibrationally averaged potentials to the Morse/Long-Range (MLR) potential function form. The MLR function form is applied to the nonlinear molecule-linear molecule case for the first time. These fits to 25 015 points have root-mean-square deviations of 0.74 cm-1 and 0.082 cm-1 for interaction energies less than 0.0 cm-1. Using the adiabatic hindered-rotor approximation, three-dimensional PESs for CH3F-paraH2 are generated from the 5D PESs over all possible orientations of the hydrogen monomer. The infrared and microwave spectra for CH3F-paraH2 dimer are predicted for the first time. These analytic PESs can be used for modeling the dynamical behavior in CH3F-(H2)N clusters, including the possible appearance of microscopic superfluidity.

Long-term climate change and the geochemical cycle of carbon

NASA Technical Reports Server (NTRS)

Marshall, Hal G.; Walker, James C. G.; Kuhn, William R.

1988-01-01

The response of the coupled climate-geochemical system to changes in paleography is examined in terms of the biogeochemical carbon cycle. The simple, zonally averaged energy balance climate model combined with a geochemical carbon cycle model, which was developed to study climate changes, is described. The effects of latitudinal distributions of the continents on the carbon cycle are investigated, and the global silicate weathering rate as a function of latitude is measured. It is observed that a concentration of land area at high altitudes results in a high CO2 partial pressure and a high global average temperature, and for land at low latitudes a cold globe and ice are detected. It is noted that the CO2 greenhouse feedback effect is potentially strong and has a stabilizing effect on the climate system.

Interference effect between neutron direct and resonance capture reactions for neutron-rich nuclei

NASA Astrophysics Data System (ADS)

Minato, Futoshi; Fukui, Tokuro

2017-11-01

Interference effect of neutron capture cross section between the compound and direct processes is investigated. The compound process is calculated by resonance parameters and the direct process by the potential model. The interference effect is tested for neutron-rich 82Ge and 134Sn nuclei relevant to r-process and light nucleus 13C which is neutron poison in the s-process and produces long-lived radioactive nucleus 14C (T1/2 = 5700 y). The interference effects in those nuclei are significant around resonances, and low energy region if s-wave neutron direct capture is possible. Maxwellian averaged cross sections at kT = 30 and 300 keV are also calculated, and the interference effect changes the Maxwellian averaged capture cross section largely depending on resonance position.

75 FR 13123 - Energy Conservation Program for Consumer Products: Representative Average Unit Costs of Energy

Federal Register 2010, 2011, 2012, 2013, 2014

2010-03-18

... electricity, natural gas, No. 2 heating oil, propane, and kerosene. DATES: The representative average unit... after-tax costs for electricity, natural gas, No. 2 heating oil, and propane are based on simulations... million Btu As required by test Type of energy \\1\\ In commonly used terms procedure Electricity $33.70 11...

76 FR 13168 - Energy Conservation Program for Consumer Products: Representative Average Unit Costs of Energy

Federal Register 2010, 2011, 2012, 2013, 2014

2011-03-10

... electricity, natural gas, No. 2 heating oil, propane, and kerosene. DATES: The representative average unit... after-tax costs for electricity, natural gas, No. 2 heating oil, and propane are based on simulations... million As required by Type of energy Btu \\1\\ In commonly used terms test procedure Electricity $34.14 11...

Cotton gin electrical energy use trends and 2009 audit results

USDA-ARS?s Scientific Manuscript database

Cotton gin energy costs have risen more than other operating costs. Energy audits were conducted in twenty US cotton gins representing a range of capacities in six states. The average participating saw gin used 39.5 kWh to process a bale. The average roller gin used 62.6 kWh. Gins have become la...

Pacific Marine Energy Center - South Energy Test Site, Wave Measurements

DOE Data Explorer

Annette von Jouanne

2016-06-06

TRIAXYS data from the NNMREC-SETS, for Nov. 2014 - Jan. 2015, and May 2015 - Dec. 2015. The data consists of: Date, Time, significant wave height (1 hour average), significant wave period (1 hour average).

Optimized light sharing for high-resolution TOF PET detector based on digital silicon photomultipliers.

PubMed

Marcinkowski, R; España, S; Van Holen, R; Vandenberghe, S

2014-12-07

The majority of current whole-body PET scanners are based on pixelated scintillator arrays with a transverse pixel size of 4 mm. However, recent studies have shown that decreasing the pixel size to 2 mm can significantly improve image spatial resolution. In this study, the performance of Digital Photon Counter (DPC) from Philips Digital Photon Counting (PDPC) was evaluated to determine their potential for high-resolution whole-body time of flight (TOF) PET scanners. Two detector configurations were evaluated. First, the DPC3200-44-22 DPC array was coupled to a LYSO block of 15 × 15 2 × 2 × 22 mm(3) pixels through a 1 mm thick light guide. Due to light sharing among the dies neighbour logic of the DPC was used. In a second setup the same DPC was coupled directly to a scalable 4 × 4 LYSO matrix of 1.9 × 1.9 × 22 mm(3) crystals with a dedicated reflector arrangement allowing for controlled light sharing patterns inside the matrix. With the first approach an average energy resolution of 14.5% and an average CRT of 376 ps were achieved. For the second configuration an average energy resolution of 11% and an average CRT of 295 ps were achieved. Our studies show that the DPC is a suitable photosensor for a high-resolution TOF-PET detector. The dedicated reflector arrangement allows one to achieve better performances than the light guide approach. The count loss, caused by dark counts, is overcome by fitting the matrix size to the size of DPC single die.

Do stochastic inhomogeneities affect dark-energy precision measurements?

PubMed

Ben-Dayan, I; Gasperini, M; Marozzi, G; Nugier, F; Veneziano, G

2013-01-11

The effect of a stochastic background of cosmological perturbations on the luminosity-redshift relation is computed to second order through a recently proposed covariant and gauge-invariant light-cone averaging procedure. The resulting expressions are free from both ultraviolet and infrared divergences, implying that such perturbations cannot mimic a sizable fraction of dark energy. Different averages are estimated and depend on the particular function of the luminosity distance being averaged. The energy flux being minimally affected by perturbations at large z is proposed as the best choice for precision estimates of dark-energy parameters. Nonetheless, its irreducible (stochastic) variance induces statistical errors on Ω(Λ)(z) typically lying in the few-percent range.

Free energy calculations, enhanced by a Gaussian ansatz, for the "chemical work" distribution.

PubMed

Boulougouris, Georgios C

2014-05-15

The evaluation of the free energy is essential in molecular simulation because it is intimately related with the existence of multiphase equilibrium. Recently, it was demonstrated that it is possible to evaluate the Helmholtz free energy using a single statistical ensemble along an entire isotherm by accounting for the "chemical work" of transforming each molecule, from an interacting one, to an ideal gas. In this work, we show that it is possible to perform such a free energy perturbation over a liquid vapor phase transition. Furthermore, we investigate the link between a general free energy perturbation scheme and the novel nonequilibrium theories of Crook's and Jarzinsky. We find that for finite systems away from the thermodynamic limit the second law of thermodynamics will always be an inequality for isothermal free energy perturbations, resulting always to a dissipated work that may tend to zero only in the thermodynamic limit. The work, the heat, and the entropy produced during a thermodynamic free energy perturbation can be viewed in the context of the Crooks and Jarzinsky formalism, revealing that for a given value of the ensemble average of the "irreversible" work, the minimum entropy production corresponded to a Gaussian distribution for the histogram of the work. We propose the evaluation of the free energy difference in any free energy perturbation based scheme on the average irreversible "chemical work" minus the dissipated work that can be calculated from the variance of the distribution of the logarithm of the work histogram, within the Gaussian approximation. As a consequence, using the Gaussian ansatz for the distribution of the "chemical work," accurate estimates for the chemical potential and the free energy of the system can be performed using much shorter simulations and avoiding the necessity of sampling the computational costly tails of the "chemical work." For a more general free energy perturbation scheme that the Gaussian ansatz may not be valid, the free energy calculation can be expressed in terms of the moment generating function of the "chemical work" distribution. Copyright © 2014 Wiley Periodicals, Inc.

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

Johnson, W. R.; Nilsen, J.

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

Fabrication and characterization of non-resonant magneto-mechanical low-frequency vibration energy harvester

NASA Astrophysics Data System (ADS)

Nammari, Abdullah; Caskey, Logan; Negrete, Johnny; Bardaweel, Hamzeh

2018-03-01

This article presents a non-resonant magneto-mechanical vibration energy harvester. When externally excited, the energy harvester converts vibrations into electric charge using a guided levitated magnet oscillating inside a multi-turn coil that is fixed around the exterior of the energy harvester. The levitated magnet is guided using four oblique mechanical springs. A prototype of the energy harvester is fabricated using additive manufacturing. Both experiment and model are used to characterize the static and dynamic behavior of the energy harvester. Measured restoring forces show that the fabricated energy harvester retains a mono-stable potential energy well with desired stiffness nonlinearities. Results show that magnetic spring results in hardening effect which increases the resonant frequency of the energy harvester. Additionally, oblique mechanical springs introduce geometric, negative, nonlinear stiffness which improves the harvester's response towards lower frequency spectrum. The unique design can produce a tunable energy harvester with multi-well potential energy characteristics. A finite element model is developed to estimate the average radial flux density experienced by the multi-turn coil. Also, a lumped parameter model of the energy harvester is developed and validated against measured data. Both upward and downward frequency sweeps are performed to determine the frequency response of the harvester. Results show that at higher excitation levels hardening effects become more apparent, and the system dynamic response turns into non-resonant. Frequency response curves exhibit frequency jump phenomena as a result of coexistence of multiple energy states at the frequency branch. The fabricated energy harvester is hand-held and measures approximately 100.5 [cm3] total volume. For a base excitation of 1.0 g [m/s2], the prototype generates a peak voltage and normalized power density of approximately 3.5 [V] and 0.133 [mW/cm3 g2], respectively, at 15.5 [Hz].

A Prediction Method of Binding Free Energy of Protein and Ligand

NASA Astrophysics Data System (ADS)

Yang, Kun; Wang, Xicheng

2010-05-01

Predicting the binding free energy is an important problem in bimolecular simulation. Such prediction would be great benefit in understanding protein functions, and may be useful for computational prediction of ligand binding strengths, e.g., in discovering pharmaceutical drugs. Free energy perturbation (FEP)/thermodynamics integration (TI) is a classical method to explicitly predict free energy. However, this method need plenty of time to collect datum, and that attempts to deal with some simple systems and small changes of molecular structures. Another one for estimating ligand binding affinities is linear interaction energy (LIE) method. This method employs averages of interaction potential energy terms from molecular dynamics simulations or other thermal conformational sampling techniques. Incorporation of systematic deviations from electrostatic linear response, derived from free energy perturbation studies, into the absolute binding free energy expression significantly enhances the accuracy of the approach. However, it also is time-consuming work. In this paper, a new prediction method based on steered molecular dynamics (SMD) with direction optimization is developed to compute binding free energy. Jarzynski's equality is used to derive the PMF or free-energy. The results for two numerical examples are presented, showing that the method has good accuracy and efficiency. The novel method can also simulate whole binding proceeding and give some important structural information about development of new drugs.

Influence of Plasma Environment on K-Line Emission in Highly Ionized Iron Atoms Evaluated Using a Debye-Huckel Model

NASA Technical Reports Server (NTRS)

Deprince, J.; Fritzsche, S.; Kallman, T. R.; Palmeri, P.; Quinet, P.

2017-01-01

The influence of plasma environment on the atomic parameters associated with the K-vacancy states has been investigated theoretically for several iron ions. To do this, a time-averaged Debye-Huckel potential for both the electron-nucleus and electron-electron interactions has been considered in the framework of relativistic multiconfiguration Dirac-Fock computations. More particularly, the plasma screening effects on ionization potentials, K-thresholds, transition energies, and radiative rates have been estimated in the astrophysical context of accretion disks around black holes. In the present paper, we describe the behavior of those atomic parameters for Ne-, Na-, Ar-, and K-like iron ions.

THE ION-TRAP RESULTS IN "EXPLORATION OF THE UPPER ATMOSPHERE WITH THE HELP OF THE THIRD SOVIET SPUTNIK"

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

Whipple, E.C. Jr.

1961-01-01

In interpreting the ion-trap data obtained from Sputnik III, unexpectedly high electron temperatures were computed by Krassovskii. It was concluded, on the basis of experimental current-voltage characteristics of the collector, that the effective electron temperature at an altitude of 795 km was not less than 15,000 deg K, corresponding to a vehicle potential of -6.4 volts with respect to the plasma. lf, however, it is noted that a retarding potential corresponding to the average kinetic energy will stop only about half the incident ions, new values of 8800 deg K and -3.9 volts, respectively, are obtained. (auth)

Insights into geometries, stabilities, electronic structures, reactivity descriptors, and magnetic properties of bimetallic Nim Cun-m (m = 1, 2; n = 3-13) clusters: Comparison with pure copper clusters.

PubMed

Singh, Raman K; Iwasa, Takeshi; Taketsugu, Tetsuya

2018-05-25

A long-range corrected density functional theory (LC-DFT) was applied to study the geometric structures, relative stabilities, electronic structures, reactivity descriptors and magnetic properties of the bimetallic NiCu n -1 and Ni 2 Cu n -2 (n = 3-13) clusters, obtained by doping one or two Ni atoms to the lowest energy structures of Cu n , followed by geometry optimizations. The optimized geometries revealed that the lowest energy structures of the NiCu n -1 and Ni 2 Cu n -2 clusters favor the Ni atom(s) situated at the most highly coordinated position of the host copper clusters. The averaged binding energy, the fragmentation energies and the second-order energy differences signified that the Ni doped clusters can continue to gain an energy during the growth process. The electronic structures revealed that the highest occupied molecular orbital and the lowest unoccupied molecular orbital energies of the LC-DFT are reliable and can be used to predict the vertical ionization potential and the vertical electron affinity of the systems. The reactivity descriptors such as the chemical potential, chemical hardness and electrophilic power, and the reactivity principle such as the minimum polarizability principle are operative for characterizing and rationalizing the electronic structures of these clusters. Moreover, doping of Ni atoms into the copper clusters carry most of the total spin magnetic moment. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

Feasibility of Energy Harvesting Using a Piezoelectric Tire

NASA Astrophysics Data System (ADS)

Malotte, Christopher

While the piezoelectric effect has been around for some time, it has only recently caught interest as a potential sustainable energy harvesting device. Piezoelectric energy harvesting has been developed for shoes and panels, but has yet to be integrated into a marketable bicycle tire. For this thesis, the development and feasibility of a piezoelectric tire was done. This includes the development of a circuit that incorporates piezoceramic elements, energy harvesting circuitry, and an energy storage device. A single phase circuit was designed using an ac-dc diode rectifier. An electrolytic capacitor was used as the energy storage device. A financial feasibility was also done to determine targets for manufacturing cost and sales price. These models take into account market trends for high performance tires, economies of scale, and the possibility of government subsidies. This research will help understand the potential for the marketability of a piezoelectric energy harvesting tire that can create electricity for remote use. This study found that there are many obstacles that must be addressed before a piezoelectric tire can be marketed to the general public. The power output of this device is minuscule compared to an alkaline battery. In order for this device to approach the power output of an alkaline battery the weight of the device would also become an issue. Additionally this device is very costly compared to the average bicycle tire. Lastly, this device is extreme fragile and easily broken. In order for this device to become marketable the issues of power output, cost, weight, and durability must all be successfully overcome.

The Moroccan eastern region, a green energy complex for sustainable development and advanced decentralization

NASA Astrophysics Data System (ADS)

Belhaj, Siham; Bahi, Lahcen; Akhssas, Ahmed; Jalal El hamidi, Mohamed

2017-04-01

The Moroccan eastern region is characterized by: A total population 2,314,346 inhabitants (in 2014) (6.84% of the population of Morocco) by a density 24 inhabitants per km2. The population structure is as follows: 30% under 15 years of age, 50% of the population is under 25 years of age, 61% of working age (15-60 years), 9% in the third age group (over than 60 years). An urbanization rate of 58.5% with an economic profile GDP: 44.2 MMDH / year. GDP growth rate: 10.8% .The Oriental contribution to the formation of the national GDP is 4.9%, in the region we have the predominance of two activities: Tertiary (51.4%) and Secondary activities (22.3%). Concerning the clean resources of energy we can mention: - Abundant solar resources because the average radiation on a surface inclined at 30 ° is 2,082 kWh / (m2 / year); An important potential of the wind distributed in: offshore at sea along the Mediterranean facade (197 km of coast) and the onshore wind along the ridges of the mountains; Large biomass potential for biogas production; A precise zoning of the territories destined to shelter installations of production of the electricity of solar. We will in this work express the importance of this diversity of the clean energy resources -projects- cited in the region of the east to develop: Production of solar photovoltaic energy; Production of solar and thermal energy; Hydropower production; the valorization of biomass (biogas, biofuel, etc.); Production of geothermal energy; Keywords: Oujda, Sustainable Development, Energy

New Stream-reach Development: A Comprehensive Assessment of Hydropower Energy Potential in the United States

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

Kao, Shih-Chieh; McManamay, Ryan A; Stewart, Kevin M

2014-04-01

The rapid development of multiple national geospatial datasets related to topography, hydrology, and environmental characteristics in the past decade have provided new opportunities for the refinement of hydropower resource potential from undeveloped stream-reaches. Through 2011 to 2013, the Oak Ridge National Laboratory (ORNL) was tasked by the Department of Energy (DOE) Water Power Program to evaluate the new stream-reach development (NSD) resource potential for more than 3 million US streams. A methodology was designed that contains three main components: (1) identification of stream-reaches with high energy density, (2) topographical analysis of stream-reaches to estimate inundated surface area and reservoir storage,more » and (3) environmental attribution to spatially join information related to the natural ecological systems, social and cultural settings, policies, management, and legal constraints to stream-reaches of energy potential. An initial report on methodology (Hadjerioua et al., 2013) was later reviewed and revised based on the comments gathered from two peer review workshops. After implementing the assessment across the entire United States, major findings were summarized in this final report. The estimated NSD capacity and generation, including both higher-energy-density (>1 MW per reach) and lower-energy-density (<1 MW per reach) stream-reaches is 84.7 GW, around the same size as the existing US conventional hydropower nameplate capacity (79.5 GW; NHAAP, 2013). In terms of energy, the total undeveloped NSD generation is estimated to be 460 TWh/year, around 169% of average 2002 2011 net annual generation from existing conventional hydropower plants (272 TWh/year; EIA, 2013). Given the run-of-river assumption, NSD stream-reaches have higher capacity factors (53 71%), especially compared with conventional larger-storage peaking-operation projects that usually have capacity factors of around 30%. The highest potential is identified in the Pacific Northwest Region (32%), followed by Missouri Region (15%) and California Region (9%). In terms of states, the highest potential is found in Oregon, Washington, and Idaho, the three states in the Pacific Northwest, followed by California, Alaska, Montana, and Colorado. In addition to the resource potential, abundant environmental attributes were also organized and attributed to the identified stream-reaches to support further hydropower market analysis. The prevalence of environmental variables and proportion of capacity from stream-reaches intersecting environmental variables varied according to hydrologic region. Detailed NSD findings are organized by hydrologic regions and presented in each chapter of this report.« less

Cocoa residues as viable biomass for renewable energy production through anaerobic digestion.

PubMed

Acosta, Nayaret; De Vrieze, Jo; Sandoval, Verónica; Sinche, Danny; Wierinck, Isabella; Rabaey, Korneel

2018-05-31

The aim of this work was to evaluate the bioenergy potential of cocoa residue via anaerobic digestion. Batch and fed-batch lab-scale reactors were operated under low and high solids conditions. In the batch tests, 59 ± 4% of Chemical Oxygen Demand (COD) was recovered as methane. This corresponded with an average methane yield of 174 (wet) and 193 (dry) L kg -1 volatile solids fed, whereas a series of fed-batch reactors produced 70 ± 24 (wet) and 107 ± 39 (dry) L CH 4  kg -1 volatile solids fed during stable conditions. A case study was developed for canton Balao (Ecuador) based on our experimental data, operational estimates and available cocoa waste in the area. Annually, 8341 MWh could be produced, meeting 88% of the current electricity demand in Balao. This case study proves the potential for cocoa waste as a source of renewable energy in rural areas. Copyright © 2018 Elsevier Ltd. All rights reserved.

Super Configuration Accounting Equation of State for WDM and HED plasma

NASA Astrophysics Data System (ADS)

Lee, T. G.; Busquet, M.; Gilles, D.; Klapisch, M.

2017-10-01

Rad-Hydro numerical codes require Equation of State (EOS) and opacities. We describe a procedure to obtain an EOS compatible with our STA opacity model. We use our relativistic super-configuration code - STA-2.5 to compute the average 〈 Z 〉 and excitation-ionization internal energy U and chemical potential _. These and other data will serve as basic inputs into a Yukawa Monte-Carlo improved version of quotidian EOS, known as YMCQ. The screening in the Yukawa potential describing the ion-ion interaction is modified by the data from STA. This integrated procedure yields the excess internal energy due to the non-ideal behavior of the EOS concordant with our opacity model and allows us to have an EOS model applicable from solid matter to very tenuous plasmas as found in laser fusion, astrophysics, or tokamaks. We shall present its application to Carbon, Aluminum and Iron. This work is made possible by a financial support from DOE/NNSA.

Mean force potential of interaction between Na+ and Cl- ions in planar nanopores in contact with water under pressure

NASA Astrophysics Data System (ADS)

Shevkunov, S. V.

2017-11-01

The mean force potential (MFP) of interaction between counterions Na+ and Cl- in a planar nanopore with structureless hydrophobic walls is calculated via computer simulation under the condition that the nanopore is in contact with water at an external pressure that exceeds the saturation pressure but remains insufficient to fill the nanopore with water. For a nanopore with a liquid phase, the MFP dependence on the interionic distance indicates the dissociation of an ion pair into two hydrated ions in a nanopore that is not completely filled with water. Fluctuations in the number of water molecules drawn into the interionic space decisively influence the dissociation. The attraction between counterions, averaged over thermal fluctuations, depends largely on the pore width and grows as the shielding of the ions' electric field by water molecules in a narrow pore diminishes. The contributions from energy and entropy to the free energy of hydration are analyzed.

Approaches for quantifying energy intake and %calorie restriction during calorie restriction interventions in humans: the multicenter CALERIE study.

PubMed

Racette, Susan B; Das, Sai Krupa; Bhapkar, Manjushri; Hadley, Evan C; Roberts, Susan B; Ravussin, Eric; Pieper, Carl; DeLany, James P; Kraus, William E; Rochon, James; Redman, Leanne M

2012-02-15

Calorie restriction (CR) is a component of most weight loss interventions and a potential strategy to slow aging. Accurate determination of energy intake and %CR is critical when interpreting the results of CR interventions; this is most accurately achieved using the doubly labeled water method to quantify total energy expenditure (TEE). However, the costs and analytical requirements of this method preclude its repeated use in many clinical trials. Our aims were to determine 1) the optimal TEE assessment time points for quantifying average energy intake and %CR during long-term CR interventions and 2) the optimal approach for quantifying short-term changes in body energy stores to determine energy intake and %CR during 2-wk DLW periods. Adults randomized to a CR intervention in the multicenter CALERIE study underwent measurements of TEE by doubly labeled water and body composition at baseline and months 1, 3, and 6. Average %CR achieved during the intervention was 24.9 ± 8.7%, which was computed using an approach that included four TEE assessment time points (i.e., TEE(baseline, months 1, 3, and 6)) plus the 6-mo change in body composition. Approaches that included fewer TEE assessments yielded %CR values of 23.4 ± 9.0 (TEE(baseline,) months 3 and 6), 25.0 ± 8.7 (TEE(baseline,) months 1 and 6), and 20.9 ± 7.1% (TEE(baseline, month 6)); the latter approach differed significantly from approach 1 (P < 0.001). TEE declined 9.6 ± 9.9% within 2-4 wk of CR beginning and then stabilized. Regression of daily home weights provided the most reliable estimate of short-term change in energy stores. In summary, optimal quantification of energy intake and %CR during weight loss necessitates a TEE measurement within the first month of CR to capture the rapid reduction in TEE.

Approaches for quantifying energy intake and %calorie restriction during calorie restriction interventions in humans: the multicenter CALERIE study

PubMed Central

Das, Sai Krupa; Bhapkar, Manjushri; Hadley, Evan C.; Roberts, Susan B.; Ravussin, Eric; Pieper, Carl; DeLany, James P.; Kraus, William E.; Rochon, James; Redman, Leanne M.

2012-01-01

Calorie restriction (CR) is a component of most weight loss interventions and a potential strategy to slow aging. Accurate determination of energy intake and %CR is critical when interpreting the results of CR interventions; this is most accurately achieved using the doubly labeled water method to quantify total energy expenditure (TEE). However, the costs and analytical requirements of this method preclude its repeated use in many clinical trials. Our aims were to determine 1) the optimal TEE assessment time points for quantifying average energy intake and %CR during long-term CR interventions and 2) the optimal approach for quantifying short-term changes in body energy stores to determine energy intake and %CR during 2-wk DLW periods. Adults randomized to a CR intervention in the multicenter CALERIE study underwent measurements of TEE by doubly labeled water and body composition at baseline and months 1, 3, and 6. Average %CR achieved during the intervention was 24.9 ± 8.7%, which was computed using an approach that included four TEE assessment time points (i.e., TEEbaseline, months 1, 3, and 6) plus the 6-mo change in body composition. Approaches that included fewer TEE assessments yielded %CR values of 23.4 ± 9.0 (TEEbaseline, months 3 and 6), 25.0 ± 8.7 (TEEbaseline, months 1 and 6), and 20.9 ± 7.1% (TEEbaseline, month 6); the latter approach differed significantly from approach 1 (P < 0.001). TEE declined 9.6 ± 9.9% within 2–4 wk of CR beginning and then stabilized. Regression of daily home weights provided the most reliable estimate of short-term change in energy stores. In summary, optimal quantification of energy intake and %CR during weight loss necessitates a TEE measurement within the first month of CR to capture the rapid reduction in TEE. PMID:22127229

High energy density supercapacitors from lignin derived submicron activated carbon fibers in aqueous electrolytes

NASA Astrophysics Data System (ADS)

Hu, Sixiao; Zhang, Sanliang; Pan, Ning; Hsieh, You-Lo

2014-12-01

Highly porous submicron activated carbon fibers (ACFs) were robustly generated from low sulfonated alkali lignin and fabricated into supercapacitors for capacitive energy storage. The hydrophilic and high specific surface ACFs exhibited large-size nanographites and good electrical conductivity to demonstrate outstanding electrochemical performance. ACFs from KOH activation, in particular, showed very high 344 F g-1 specific capacitance at low 1.8 mg cm-2 mass loading and 10 mV s-1 scan rate in aqueous electrolytes. Even at relatively high scan rate of 50 mV s-1 and mass loading of 10 mg cm-2, a decent specific capacitance of 196 F g-1 and a remarkable areal capacitance of 0.55 F cm-2 was obtained, leading to high energy density of 8.1 Wh kg-1 based on averaged electrodes mass. Furthermore, over 96% capacitance retention rates were achieved after 5000 charge/discharge cycles. Such excellent performance demonstrated great potential of lignin derived carbons for electrical energy storage.

Improving indoor air quality through botanical air filtration in energy efficient residences

NASA Astrophysics Data System (ADS)

Newkirk, Daniel W.

According to the U.S. EPA, the average American spends 90% of their time indoors where pollutants are two to five times more prevalent than outside. The consequences of these pollutants are estimated to cost the U.S. 125 billion dollars in lost health and productivity. Background literature suggests botanical air filtration may be able to solve this problem by leveraging the natural ability of plants to purify indoor air. By improving indoor air quality, energy consumption can also be reduced by bringing in less outside air to dilute contaminants within the space. A botanical air filter, called the Biowall, was designed and grown aeroponically in a sealed environmental chamber. Precise measurements of air temperature, air humidity, air quality and energy consumption were made under various lighting levels, plant species and watering strategies to optimize its performance. It was found to reduce indoor air pollutants 60 percent and has the potential to reduce heating and cooling energy consumption by 20 to 30 percent.

Analytical derivatives of the individual state energies in ensemble density functional theory method. I. General formalism

DOE PAGES

Filatov, Michael; Liu, Fang; Martínez, Todd J.

2017-07-21

The state-averaged (SA) spin restricted ensemble referenced Kohn-Sham (REKS) method and its state interaction (SI) extension, SI-SA-REKS, enable one to describe correctly the shape of the ground and excited potential energy surfaces of molecules undergoing bond breaking/bond formation reactions including features such as conical intersections crucial for theoretical modeling of non-adiabatic reactions. Until recently, application of the SA-REKS and SI-SA-REKS methods to modeling the dynamics of such reactions was obstructed due to the lack of the analytical energy derivatives. Here, the analytical derivatives of the individual SA-REKS and SI-SA-REKS energies are derived. The final analytic gradient expressions are formulated entirelymore » in terms of traces of matrix products and are presented in the form convenient for implementation in the traditional quantum chemical codes employing basis set expansions of the molecular orbitals. Finally, we will describe the implementation and benchmarking of the derived formalism in a subsequent article of this series.« less

Perfect fluid Lagrangian and its cosmological implications in theories of gravity with nonminimally coupled matter fields

NASA Astrophysics Data System (ADS)

Avelino, P. P.; Azevedo, R. P. L.

2018-03-01

In this paper we show that the on-shell Lagrangian of a perfect fluid depends on microscopic properties of the fluid, giving specific examples of perfect fluids with different on-shell Lagrangians but with the same energy-momentum tensor. We demonstrate that if the fluid is constituted by localized concentrations of energy with fixed rest mass and structure (solitons) then the average on-shell Lagrangian of a perfect fluid is given by Lm=T , where T is the trace of the energy-momentum tensor. We show that our results have profound implications for theories of gravity where the matter Lagrangian appears explicitly in the equations of motion of the gravitational and matter fields, potentially leading to observable deviations from a nearly perfect cosmic microwave background black body spectrum: n -type spectral distortions, affecting the normalization of the spectral energy density. Finally, we put stringent constraints on f (R ,Lm) theories of gravity using the COBE-FIRAS measurement of the spectral radiance of the cosmic microwave background.

Ferroelectric polymer-ceramic composite thick films for energy storage applications

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

Singh, Paritosh; Borkar, Hitesh; Singh, B. P.

2014-08-15

We have successfully fabricated large area free standing polyvinylidene fluoride -Pb(Zr{sub 0.52}Ti{sub 0.48})O{sub 3} (PVDF-PZT) ferroelectric polymer-ceramic composite (wt% 80–20, respectively) thick films with an average diameter (d) ∼0.1 meter and thickness (t) ∼50 μm. Inclusion of PZT in PVDF matrix significantly enhanced dielectric constant (from 10 to 25 at 5 kHz) and energy storage capacity (from 11 to 14 J/cm{sup 3}, using polarization loops), respectively, and almost similar leakage current and mechanical strength. Microstructural analysis revealed the presence of α and β crystalline phases and homogeneous distribution of PZT crystals in PVDF matrix. It was also found that apartmore » from the microcrystals, well defined naturally developed PZT nanocrystals were embedded in PVDF matrix. The observed energy density indicates immense potential in PVDF-PZT composites for possible applications as green energy and power density electronic elements.« less

Highly efficient actively Q-switched Yb:LGGG laser generating 3.26 mJ of pulse energy

NASA Astrophysics Data System (ADS)

Li, Yanbin; Zhang, Jian; Zhao, Ruwei; Zhang, Baitao; He, Jingliang; Jia, Zhitai; Tao, Xutang

2018-05-01

An efficient acousto-optic Q-switched laser operation of Yb:(LuxGd1-x)3Ga5O12 (x = 0.062) (Yb:LGGG) crystal is demonstrated, producing stable pulses with repetition rate ranging from 1 to 20 kHz. Under the absorbed pump power of 8.75 W, the maximum average output power of 3.26 W is obtained at the pulse repletion rate of 1 kHz, corresponding to the slope efficiency as high as 52%. The pulse width of 14.5 ns is achieved with the pulse energy and peak power of 3.26 mJ and 225 kW, respectively. It indicates great potential of Yb:LGGG crystal for generating pulsed lasers.

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

Sikes, Karen; Blackburn, Julia; Grubbs, Tyler

Despite a steady record of energy efficiency improvements in residential refrigerators and freezers over recent decades, these products still account for 4% of the site energy consumption for the average U.S. household. The Oak Ridge National Laboratory (ORNL) – along with partners Sandia National Laboratories (SNL) and the University of Maryland – are pursuing further efficiency improvements in this market sector by using a novel/prototype rotating heat exchanger (RHX) based on a Sandia Cooler technology as an evaporator in a residential refrigerator-freezer. The purpose of this study is to investigate the market potential of refrigerator-freezer products equipped with RHX evaporatorsmore » in the United States, including projections of maximum annual market share and unit shipments and maximum direct and indirect job creation.« less

Using Reanalysis Data for the Prediction of Seasonal Wind Turbine Power Losses Due to Icing

NASA Astrophysics Data System (ADS)

Burtch, D.; Mullendore, G. L.; Delene, D. J.; Storm, B.

2013-12-01

The Northern Plains region of the United States is home to a significant amount of potential wind energy. However, in winter months capturing this potential power is severely impacted by the meteorological conditions, in the form of icing. Predicting the expected loss in power production due to icing is a valuable parameter that can be used in wind turbine operations, determination of wind turbine site locations and long-term energy estimates which are used for financing purposes. Currently, losses due to icing must be estimated when developing predictions for turbine feasibility and financing studies, while icing maps, a tool commonly used in Europe, are lacking in the United States. This study uses the Modern-Era Retrospective Analysis for Research and Applications (MERRA) dataset in conjunction with turbine production data to investigate various methods of predicting seasonal losses (October-March) due to icing at two wind turbine sites located 121 km apart in North Dakota. The prediction of icing losses is based on temperature and relative humidity thresholds and is accomplished using three methods. For each of the three methods, the required atmospheric variables are determined in one of two ways: using industry-specific software to correlate anemometer data in conjunction with the MERRA dataset and using only the MERRA dataset for all variables. For each season, a percentage of the total expected generated power lost due to icing is determined and compared to observed losses from the production data. An optimization is performed in order to determine the relative humidity threshold that minimizes the difference between the predicted and observed values. Eight seasons of data are used to determine an optimal relative humidity threshold, and a further three seasons of data are used to test this threshold. Preliminary results have shown that the optimized relative humidity threshold for the northern turbine is higher than the southern turbine for all methods. For the three test seasons, the optimized thresholds tend to under-predict the icing losses. However, the threshold determined using boundary layer similarity theory most closely predicts the power losses due to icing versus the other methods. For the northern turbine, the average predicted power loss over the three seasons is 4.65 % while the observed power loss is 6.22 % (average difference of 1.57 %). For the southern turbine, the average predicted power loss and observed power loss over the same time period are 4.43 % and 6.16 %, respectively (average difference of 1.73 %). The three-year average, however, does not clearly capture the variability that exists season-to-season. On examination of each of the test seasons individually, the optimized relative humidity threshold methodology performs better than fixed power loss estimates commonly used in the wind energy industry.