Sample records for efficient energy sample

  1. 10 CFR Appendix B to Subpart F of... - Sampling Plan For Enforcement Testing

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... sample as follows: ER18MR98.010 where (x 1) is the measured energy efficiency, energy or water (in the...-tailed probability level and a sample size of n 1. Step 6(a). For an Energy Efficiency Standard, compare... an Energy Efficiency Standard, determine the second sample size (n 2) as follows: ER18MR98.015 where...

  2. On the enhanced sampling over energy barriers in molecular dynamics simulations.

    PubMed

    Gao, Yi Qin; Yang, Lijiang

    2006-09-21

    We present here calculations of free energies of multidimensional systems using an efficient sampling method. The method uses a transformed potential energy surface, which allows an efficient sampling of both low and high energy spaces and accelerates transitions over barriers. It allows efficient sampling of the configuration space over and only over the desired energy range(s). It does not require predetermined or selected reaction coordinate(s). We apply this method to study the dynamics of slow barrier crossing processes in a disaccharide and a dipeptide system.

  3. A Novel Energy-Efficient Approach for Human Activity Recognition.

    PubMed

    Zheng, Lingxiang; Wu, Dihong; Ruan, Xiaoyang; Weng, Shaolin; Peng, Ao; Tang, Biyu; Lu, Hai; Shi, Haibin; Zheng, Huiru

    2017-09-08

    In this paper, we propose a novel energy-efficient approach for mobile activity recognition system (ARS) to detect human activities. The proposed energy-efficient ARS, using low sampling rates, can achieve high recognition accuracy and low energy consumption. A novel classifier that integrates hierarchical support vector machine and context-based classification (HSVMCC) is presented to achieve a high accuracy of activity recognition when the sampling rate is less than the activity frequency, i.e., the Nyquist sampling theorem is not satisfied. We tested the proposed energy-efficient approach with the data collected from 20 volunteers (14 males and six females) and the average recognition accuracy of around 96.0% was achieved. Results show that using a low sampling rate of 1Hz can save 17.3% and 59.6% of energy compared with the sampling rates of 5 Hz and 50 Hz. The proposed low sampling rate approach can greatly reduce the power consumption while maintaining high activity recognition accuracy. The composition of power consumption in online ARS is also investigated in this paper.

  4. Essential energy space random walk via energy space metadynamics method to accelerate molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Li, Hongzhi; Min, Donghong; Liu, Yusong; Yang, Wei

    2007-09-01

    To overcome the possible pseudoergodicity problem, molecular dynamic simulation can be accelerated via the realization of an energy space random walk. To achieve this, a biased free energy function (BFEF) needs to be priori obtained. Although the quality of BFEF is essential for sampling efficiency, its generation is usually tedious and nontrivial. In this work, we present an energy space metadynamics algorithm to efficiently and robustly obtain BFEFs. Moreover, in order to deal with the associated diffusion sampling problem caused by the random walk in the total energy space, the idea in the original umbrella sampling method is generalized to be the random walk in the essential energy space, which only includes the energy terms determining the conformation of a region of interest. This essential energy space generalization allows the realization of efficient localized enhanced sampling and also offers the possibility of further sampling efficiency improvement when high frequency energy terms irrelevant to the target events are free of activation. The energy space metadynamics method and its generalization in the essential energy space for the molecular dynamics acceleration are demonstrated in the simulation of a pentanelike system, the blocked alanine dipeptide model, and the leucine model.

  5. Experimental Determination of the HPGe Spectrometer Efficiency Calibration Curves for Various Sample Geometry for Gamma Energy from 50 keV to 2000 keV

    NASA Astrophysics Data System (ADS)

    Saat, Ahmad; Hamzah, Zaini; Yusop, Mohammad Fariz; Zainal, Muhd Amiruddin

    2010-07-01

    Detection efficiency of a gamma-ray spectrometry system is dependent upon among others, energy, sample and detector geometry, volume and density of the samples. In the present study the efficiency calibration curves of newly acquired (August 2008) HPGe gamma-ray spectrometry system was carried out for four sample container geometries, namely Marinelli beaker, disc, cylindrical beaker and vial, normally used for activity determination of gamma-ray from environmental samples. Calibration standards were prepared by using known amount of analytical grade uranium trioxide ore, homogenized in plain flour into the respective containers. The ore produces gamma-rays of energy ranging from 53 keV to 1001 keV. Analytical grade potassium chloride were prepared to determine detection efficiency of 1460 keV gamma-ray emitted by potassium isotope K-40. Plots of detection efficiency against gamma-ray energy for the four sample geometries were found to fit smoothly to a general form of ɛ = AΕa+BΕb, where ɛ is efficiency, Ε is energy in keV, A, B, a and b are constants that are dependent on the sample geometries. All calibration curves showed the presence of a "knee" at about 180 keV. Comparison between the four geometries showed that the efficiency of Marinelli beaker is higher than cylindrical beaker and vial, while cylindrical disk showed the lowest.

  6. A Novel Energy-Efficient Approach for Human Activity Recognition

    PubMed Central

    Zheng, Lingxiang; Wu, Dihong; Ruan, Xiaoyang; Weng, Shaolin; Tang, Biyu; Lu, Hai; Shi, Haibin

    2017-01-01

    In this paper, we propose a novel energy-efficient approach for mobile activity recognition system (ARS) to detect human activities. The proposed energy-efficient ARS, using low sampling rates, can achieve high recognition accuracy and low energy consumption. A novel classifier that integrates hierarchical support vector machine and context-based classification (HSVMCC) is presented to achieve a high accuracy of activity recognition when the sampling rate is less than the activity frequency, i.e., the Nyquist sampling theorem is not satisfied. We tested the proposed energy-efficient approach with the data collected from 20 volunteers (14 males and six females) and the average recognition accuracy of around 96.0% was achieved. Results show that using a low sampling rate of 1Hz can save 17.3% and 59.6% of energy compared with the sampling rates of 5 Hz and 50 Hz. The proposed low sampling rate approach can greatly reduce the power consumption while maintaining high activity recognition accuracy. The composition of power consumption in online ARS is also investigated in this paper. PMID:28885560

  7. Traffic-Adaptive, Flow-Specific Medium Access for Wireless Networks

    DTIC Science & Technology

    2009-09-01

    hybrid, contention and non-contention schemes are shown to be special cases. This work also compares the energy efficiency of centralized and distributed...solutions and proposes an energy efficient version of traffic-adaptive CWS-MAC that includes an adaptive sleep cycle coordinated through the use of...preamble sampling. A preamble sampling probability parameter is introduced to manage the trade-off between energy efficiency and throughput and delay

  8. Accelerated Enveloping Distribution Sampling: Enabling Sampling of Multiple End States while Preserving Local Energy Minima.

    PubMed

    Perthold, Jan Walther; Oostenbrink, Chris

    2018-05-17

    Enveloping distribution sampling (EDS) is an efficient approach to calculate multiple free-energy differences from a single molecular dynamics (MD) simulation. However, the construction of an appropriate reference-state Hamiltonian that samples all states efficiently is not straightforward. We propose a novel approach for the construction of the EDS reference-state Hamiltonian, related to a previously described procedure to smoothen energy landscapes. In contrast to previously suggested EDS approaches, our reference-state Hamiltonian preserves local energy minima of the combined end-states. Moreover, we propose an intuitive, robust and efficient parameter optimization scheme to tune EDS Hamiltonian parameters. We demonstrate the proposed method with established and novel test systems and conclude that our approach allows for the automated calculation of multiple free-energy differences from a single simulation. Accelerated EDS promises to be a robust and user-friendly method to compute free-energy differences based on solid statistical mechanics.

  9. Exploring high dimensional free energy landscapes: Temperature accelerated sliced sampling

    NASA Astrophysics Data System (ADS)

    Awasthi, Shalini; Nair, Nisanth N.

    2017-03-01

    Biased sampling of collective variables is widely used to accelerate rare events in molecular simulations and to explore free energy surfaces. However, computational efficiency of these methods decreases with increasing number of collective variables, which severely limits the predictive power of the enhanced sampling approaches. Here we propose a method called Temperature Accelerated Sliced Sampling (TASS) that combines temperature accelerated molecular dynamics with umbrella sampling and metadynamics to sample the collective variable space in an efficient manner. The presented method can sample a large number of collective variables and is advantageous for controlled exploration of broad and unbound free energy basins. TASS is also shown to achieve quick free energy convergence and is practically usable with ab initio molecular dynamics techniques.

  10. Efficient free energy calculations by combining two complementary tempering sampling methods.

    PubMed

    Xie, Liangxu; Shen, Lin; Chen, Zhe-Ning; Yang, Mingjun

    2017-01-14

    Although energy barriers can be efficiently crossed in the reaction coordinate (RC) guided sampling, this type of method suffers from identification of the correct RCs or requirements of high dimensionality of the defined RCs for a given system. If only the approximate RCs with significant barriers are used in the simulations, hidden energy barriers with small to medium height would exist in other degrees of freedom (DOFs) relevant to the target process and consequently cause the problem of insufficient sampling. To address the sampling in this so-called hidden barrier situation, here we propose an effective approach to combine temperature accelerated molecular dynamics (TAMD), an efficient RC-guided sampling method, with the integrated tempering sampling (ITS), a generalized ensemble sampling method. In this combined ITS-TAMD method, the sampling along the major RCs with high energy barriers is guided by TAMD and the sampling of the rest of the DOFs with lower but not negligible barriers is enhanced by ITS. The performance of ITS-TAMD to three systems in the processes with hidden barriers has been examined. In comparison to the standalone TAMD or ITS approach, the present hybrid method shows three main improvements. (1) Sampling efficiency can be improved at least five times even if in the presence of hidden energy barriers. (2) The canonical distribution can be more accurately recovered, from which the thermodynamic properties along other collective variables can be computed correctly. (3) The robustness of the selection of major RCs suggests that the dimensionality of necessary RCs can be reduced. Our work shows more potential applications of the ITS-TAMD method as the efficient and powerful tool for the investigation of a broad range of interesting cases.

  11. Efficient free energy calculations by combining two complementary tempering sampling methods

    NASA Astrophysics Data System (ADS)

    Xie, Liangxu; Shen, Lin; Chen, Zhe-Ning; Yang, Mingjun

    2017-01-01

    Although energy barriers can be efficiently crossed in the reaction coordinate (RC) guided sampling, this type of method suffers from identification of the correct RCs or requirements of high dimensionality of the defined RCs for a given system. If only the approximate RCs with significant barriers are used in the simulations, hidden energy barriers with small to medium height would exist in other degrees of freedom (DOFs) relevant to the target process and consequently cause the problem of insufficient sampling. To address the sampling in this so-called hidden barrier situation, here we propose an effective approach to combine temperature accelerated molecular dynamics (TAMD), an efficient RC-guided sampling method, with the integrated tempering sampling (ITS), a generalized ensemble sampling method. In this combined ITS-TAMD method, the sampling along the major RCs with high energy barriers is guided by TAMD and the sampling of the rest of the DOFs with lower but not negligible barriers is enhanced by ITS. The performance of ITS-TAMD to three systems in the processes with hidden barriers has been examined. In comparison to the standalone TAMD or ITS approach, the present hybrid method shows three main improvements. (1) Sampling efficiency can be improved at least five times even if in the presence of hidden energy barriers. (2) The canonical distribution can be more accurately recovered, from which the thermodynamic properties along other collective variables can be computed correctly. (3) The robustness of the selection of major RCs suggests that the dimensionality of necessary RCs can be reduced. Our work shows more potential applications of the ITS-TAMD method as the efficient and powerful tool for the investigation of a broad range of interesting cases.

  12. Efficient sampling over rough energy landscapes with high barriers: A combination of metadynamics with integrated tempering sampling.

    PubMed

    Yang, Y Isaac; Zhang, Jun; Che, Xing; Yang, Lijiang; Gao, Yi Qin

    2016-03-07

    In order to efficiently overcome high free energy barriers embedded in a complex energy landscape and calculate overall thermodynamics properties using molecular dynamics simulations, we developed and implemented a sampling strategy by combining the metadynamics with (selective) integrated tempering sampling (ITS/SITS) method. The dominant local minima on the potential energy surface (PES) are partially exalted by accumulating history-dependent potentials as in metadynamics, and the sampling over the entire PES is further enhanced by ITS/SITS. With this hybrid method, the simulated system can be rapidly driven across the dominant barrier along selected collective coordinates. Then, ITS/SITS ensures a fast convergence of the sampling over the entire PES and an efficient calculation of the overall thermodynamic properties of the simulation system. To test the accuracy and efficiency of this method, we first benchmarked this method in the calculation of ϕ - ψ distribution of alanine dipeptide in explicit solvent. We further applied it to examine the design of template molecules for aromatic meta-C-H activation in solutions and investigate solution conformations of the nonapeptide Bradykinin involving slow cis-trans isomerizations of three proline residues.

  13. Efficient sampling over rough energy landscapes with high barriers: A combination of metadynamics with integrated tempering sampling

    NASA Astrophysics Data System (ADS)

    Yang, Y. Isaac; Zhang, Jun; Che, Xing; Yang, Lijiang; Gao, Yi Qin

    2016-03-01

    In order to efficiently overcome high free energy barriers embedded in a complex energy landscape and calculate overall thermodynamics properties using molecular dynamics simulations, we developed and implemented a sampling strategy by combining the metadynamics with (selective) integrated tempering sampling (ITS/SITS) method. The dominant local minima on the potential energy surface (PES) are partially exalted by accumulating history-dependent potentials as in metadynamics, and the sampling over the entire PES is further enhanced by ITS/SITS. With this hybrid method, the simulated system can be rapidly driven across the dominant barrier along selected collective coordinates. Then, ITS/SITS ensures a fast convergence of the sampling over the entire PES and an efficient calculation of the overall thermodynamic properties of the simulation system. To test the accuracy and efficiency of this method, we first benchmarked this method in the calculation of ϕ - ψ distribution of alanine dipeptide in explicit solvent. We further applied it to examine the design of template molecules for aromatic meta-C—H activation in solutions and investigate solution conformations of the nonapeptide Bradykinin involving slow cis-trans isomerizations of three proline residues.

  14. Efficient sampling over rough energy landscapes with high barriers: A combination of metadynamics with integrated tempering sampling

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

    Yang, Y. Isaac; Zhang, Jun; Che, Xing

    2016-03-07

    In order to efficiently overcome high free energy barriers embedded in a complex energy landscape and calculate overall thermodynamics properties using molecular dynamics simulations, we developed and implemented a sampling strategy by combining the metadynamics with (selective) integrated tempering sampling (ITS/SITS) method. The dominant local minima on the potential energy surface (PES) are partially exalted by accumulating history-dependent potentials as in metadynamics, and the sampling over the entire PES is further enhanced by ITS/SITS. With this hybrid method, the simulated system can be rapidly driven across the dominant barrier along selected collective coordinates. Then, ITS/SITS ensures a fast convergence ofmore » the sampling over the entire PES and an efficient calculation of the overall thermodynamic properties of the simulation system. To test the accuracy and efficiency of this method, we first benchmarked this method in the calculation of ϕ − ψ distribution of alanine dipeptide in explicit solvent. We further applied it to examine the design of template molecules for aromatic meta-C—H activation in solutions and investigate solution conformations of the nonapeptide Bradykinin involving slow cis-trans isomerizations of three proline residues.« less

  15. Chapter 11: Sample Design Cross-Cutting Protocol. The Uniform Methods Project: Methods for Determining Energy Efficiency Savings for Specific Measures

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

    Kurnik, Charles W; Khawaja, M. Sami; Rushton, Josh

    Evaluating an energy efficiency program requires assessing the total energy and demand saved through all of the energy efficiency measures provided by the program. For large programs, the direct assessment of savings for each participant would be cost-prohibitive. Even if a program is small enough that a full census could be managed, such an undertaking would almost always be an inefficient use of evaluation resources. The bulk of this chapter describes methods for minimizing and quantifying sampling error. Measurement error and regression error are discussed in various contexts in other chapters.

  16. Data-Driven Sampling Matrix Boolean Optimization for Energy-Efficient Biomedical Signal Acquisition by Compressive Sensing.

    PubMed

    Wang, Yuhao; Li, Xin; Xu, Kai; Ren, Fengbo; Yu, Hao

    2017-04-01

    Compressive sensing is widely used in biomedical applications, and the sampling matrix plays a critical role on both quality and power consumption of signal acquisition. It projects a high-dimensional vector of data into a low-dimensional subspace by matrix-vector multiplication. An optimal sampling matrix can ensure accurate data reconstruction and/or high compression ratio. Most existing optimization methods can only produce real-valued embedding matrices that result in large energy consumption during data acquisition. In this paper, we propose an efficient method that finds an optimal Boolean sampling matrix in order to reduce the energy consumption. Compared to random Boolean embedding, our data-driven Boolean sampling matrix can improve the image recovery quality by 9 dB. Moreover, in terms of sampling hardware complexity, it reduces the energy consumption by 4.6× and the silicon area by 1.9× over the data-driven real-valued embedding.

  17. Introducing sampling entropy in repository based adaptive umbrella sampling

    NASA Astrophysics Data System (ADS)

    Zheng, Han; Zhang, Yingkai

    2009-12-01

    Determining free energy surfaces along chosen reaction coordinates is a common and important task in simulating complex systems. Due to the complexity of energy landscapes and the existence of high barriers, one widely pursued objective to develop efficient simulation methods is to achieve uniform sampling among thermodynamic states of interest. In this work, we have demonstrated sampling entropy (SE) as an excellent indicator for uniform sampling as well as for the convergence of free energy simulations. By introducing SE and the concentration theorem into the biasing-potential-updating scheme, we have further improved the adaptivity, robustness, and applicability of our recently developed repository based adaptive umbrella sampling (RBAUS) approach [H. Zheng and Y. Zhang, J. Chem. Phys. 128, 204106 (2008)]. Besides simulations of one dimensional free energy profiles for various systems, the generality and efficiency of this new RBAUS-SE approach have been further demonstrated by determining two dimensional free energy surfaces for the alanine dipeptide in gas phase as well as in water.

  18. 10 CFR Appendix B to Subpart K of... - Sampling Plan for Enforcement Testing

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 3 2010-01-01 2010-01-01 false Sampling Plan for Enforcement Testing B Appendix B to Subpart K of Part 431 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY PROGRAM FOR CERTAIN COMMERCIAL AND INDUSTRIAL EQUIPMENT Distribution Transformers Pt. 431, Subpt. K, App. B Appendix B...

  19. 10 CFR Appendix B to Subpart K of... - Sampling Plan for Enforcement Testing

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 3 2011-01-01 2011-01-01 false Sampling Plan for Enforcement Testing B Appendix B to Subpart K of Part 431 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY PROGRAM FOR CERTAIN COMMERCIAL AND INDUSTRIAL EQUIPMENT Distribution Transformers Pt. 431, Subpt. K, App. B Appendix B...

  20. Efficiency of the Inertia Friction Welding Process and Its Dependence on Process Parameters

    NASA Astrophysics Data System (ADS)

    Senkov, O. N.; Mahaffey, D. W.; Tung, D. J.; Zhang, W.; Semiatin, S. L.

    2017-07-01

    It has been widely assumed, but never proven, that the efficiency of the inertia friction welding (IFW) process is independent of process parameters and is relatively high, i.e., 70 to 95 pct. In the present work, the effect of IFW parameters on process efficiency was established. For this purpose, a series of IFW trials was conducted for the solid-state joining of two dissimilar nickel-base superalloys (LSHR and Mar-M247) using various combinations of initial kinetic energy ( i.e., the total weld energy, E o), initial flywheel angular velocity ( ω o), flywheel moment of inertia ( I), and axial compression force ( P). The kinetics of the conversion of the welding energy to heating of the faying sample surfaces ( i.e., the sample energy) vs parasitic losses to the welding machine itself were determined by measuring the friction torque on the sample surfaces ( M S) and in the machine bearings ( M M). It was found that the rotating parts of the welding machine can consume a significant fraction of the total energy. Specifically, the parasitic losses ranged from 28 to 80 pct of the total weld energy. The losses increased (and the corresponding IFW process efficiency decreased) as P increased (at constant I and E o), I decreased (at constant P and E o), and E o (or ω o) increased (at constant P and I). The results of this work thus provide guidelines for selecting process parameters which minimize energy losses and increase process efficiency during IFW.

  1. Percussive Force Magnitude in Permafrost

    NASA Technical Reports Server (NTRS)

    Eustes, A. W., III; Bridgford, E.; Tischler, A.; Wilcox, B. H.

    2000-01-01

    An in-depth look at percussive drilling shows that the transmission efficiency is very important; however, data for percussive drilling in hard rock or permafrost is rarely available or the existing data are very old. Transmission efficiency can be used as a measurement of the transmission of the energy in the piston to the drill steel or bit and from the bit to the rock. Having a plane and centralized impact of the piston on the drill steel can optimize the transmission efficiency from the piston to the drill steel. A transmission efficiency of near 100% between piston and drill steel is possible. The transmission efficiency between bit and rock is dependent upon the interaction within the entire system. The main factors influencing this transmission efficiency are the contact area between cutting structure and surrounding rock (energy loss due to friction heat), damping characteristics of the surrounding rock (energy dampening), and cuttings transport. Some of these parameters are not controllable. To solve the existing void regarding available drilling data, an experiment for gathering energy data in permafrost for percussive drilling was designed. Fifteen artificial permafrost samples were prepared. The samples differed in the grain size distribution to observe a possible influence of the grain size distribution on the drilling performance. The samples were then manually penetrated (with a sledge-hammer) with two different spikes.

  2. Efficient Round-Trip Time Optimization for Replica-Exchange Enveloping Distribution Sampling (RE-EDS).

    PubMed

    Sidler, Dominik; Cristòfol-Clough, Michael; Riniker, Sereina

    2017-06-13

    Replica-exchange enveloping distribution sampling (RE-EDS) allows the efficient estimation of free-energy differences between multiple end-states from a single molecular dynamics (MD) simulation. In EDS, a reference state is sampled, which can be tuned by two types of parameters, i.e., smoothness parameters(s) and energy offsets, such that all end-states are sufficiently sampled. However, the choice of these parameters is not trivial. Replica exchange (RE) or parallel tempering is a widely applied technique to enhance sampling. By combining EDS with the RE technique, the parameter choice problem could be simplified and the challenge shifted toward an optimal distribution of the replicas in the smoothness-parameter space. The choice of a certain replica distribution can alter the sampling efficiency significantly. In this work, global round-trip time optimization (GRTO) algorithms are tested for the use in RE-EDS simulations. In addition, a local round-trip time optimization (LRTO) algorithm is proposed for systems with slowly adapting environments, where a reliable estimate for the round-trip time is challenging to obtain. The optimization algorithms were applied to RE-EDS simulations of a system of nine small-molecule inhibitors of phenylethanolamine N-methyltransferase (PNMT). The energy offsets were determined using our recently proposed parallel energy-offset (PEOE) estimation scheme. While the multistate GRTO algorithm yielded the best replica distribution for the ligands in water, the multistate LRTO algorithm was found to be the method of choice for the ligands in complex with PNMT. With this, the 36 alchemical free-energy differences between the nine ligands were calculated successfully from a single RE-EDS simulation 10 ns in length. Thus, RE-EDS presents an efficient method for the estimation of relative binding free energies.

  3. Hydration Free Energy from Orthogonal Space Random Walk and Polarizable Force Field.

    PubMed

    Abella, Jayvee R; Cheng, Sara Y; Wang, Qiantao; Yang, Wei; Ren, Pengyu

    2014-07-08

    The orthogonal space random walk (OSRW) method has shown enhanced sampling efficiency in free energy calculations from previous studies. In this study, the implementation of OSRW in accordance with the polarizable AMOEBA force field in TINKER molecular modeling software package is discussed and subsequently applied to the hydration free energy calculation of 20 small organic molecules, among which 15 are positively charged and five are neutral. The calculated hydration free energies of these molecules are compared with the results obtained from the Bennett acceptance ratio method using the same force field, and overall an excellent agreement is obtained. The convergence and the efficiency of the OSRW are also discussed and compared with BAR. Combining enhanced sampling techniques such as OSRW with polarizable force fields is very promising for achieving both accuracy and efficiency in general free energy calculations.

  4. Energy Choices for Consumers

    ERIC Educational Resources Information Center

    Nolan, William T.

    1977-01-01

    Sample problems concerning energy consumption and conservation with air conditioners, electric ranges, refrigerators and televisions are provided. The energy efficiency ratio (EER) is also discussed. (CP)

  5. Evaluation energy efficiency of bioconversion knot rejects to ethanol in comparison to other thermochemically pretreated biomass.

    PubMed

    Wang, Zhaojiang; Qin, Menghua; Zhu, J Y; Tian, Guoyu; Li, Zongquan

    2013-02-01

    Rejects from sulfite pulp mill that otherwise would be disposed of by incineration were converted to ethanol by a combined physical-biological process that was comprised of physical refining and simultaneous saccharification and fermentation (SSF). The energy efficiency was evaluated with comparison to thermochemically pretreated biomass, such as those pretreated by dilute acid (DA) and sulfite pretreatment to overcome recalcitrance of lignocelluloses (SPORL). It was observed that the structure deconstruction of rejects by physical refining was indispensable to effective bioconversion but more energy intensive than that of thermochemically pretreated biomass. Fortunately, the energy consumption was compensated by the reduced enzyme dosage and the elevated ethanol yield. Furthermore, adjustment of disk-plates gap led to reduction in energy consumption with negligible influence on ethanol yield. In this context, energy efficiency up to 717.7% was achieved for rejects, much higher than that of SPORL sample (283.7%) and DA sample (152.8%). Copyright © 2012 Elsevier Ltd. All rights reserved.

  6. Efficient Construction of Free Energy Profiles of Breathing Metal–Organic Frameworks Using Advanced Molecular Dynamics Simulations

    PubMed Central

    2017-01-01

    In order to reliably predict and understand the breathing behavior of highly flexible metal–organic frameworks from thermodynamic considerations, an accurate estimation of the free energy difference between their different metastable states is a prerequisite. Herein, a variety of free energy estimation methods are thoroughly tested for their ability to construct the free energy profile as a function of the unit cell volume of MIL-53(Al). The methods comprise free energy perturbation, thermodynamic integration, umbrella sampling, metadynamics, and variationally enhanced sampling. A series of molecular dynamics simulations have been performed in the frame of each of the five methods to describe structural transformations in flexible materials with the volume as the collective variable, which offers a unique opportunity to assess their computational efficiency. Subsequently, the most efficient method, umbrella sampling, is used to construct an accurate free energy profile at different temperatures for MIL-53(Al) from first principles at the PBE+D3(BJ) level of theory. This study yields insight into the importance of the different aspects such as entropy contributions and anharmonic contributions on the resulting free energy profile. As such, this thorough study provides unparalleled insight in the thermodynamics of the large structural deformations of flexible materials. PMID:29131647

  7. Efficient Construction of Free Energy Profiles of Breathing Metal-Organic Frameworks Using Advanced Molecular Dynamics Simulations.

    PubMed

    Demuynck, Ruben; Rogge, Sven M J; Vanduyfhuys, Louis; Wieme, Jelle; Waroquier, Michel; Van Speybroeck, Veronique

    2017-12-12

    In order to reliably predict and understand the breathing behavior of highly flexible metal-organic frameworks from thermodynamic considerations, an accurate estimation of the free energy difference between their different metastable states is a prerequisite. Herein, a variety of free energy estimation methods are thoroughly tested for their ability to construct the free energy profile as a function of the unit cell volume of MIL-53(Al). The methods comprise free energy perturbation, thermodynamic integration, umbrella sampling, metadynamics, and variationally enhanced sampling. A series of molecular dynamics simulations have been performed in the frame of each of the five methods to describe structural transformations in flexible materials with the volume as the collective variable, which offers a unique opportunity to assess their computational efficiency. Subsequently, the most efficient method, umbrella sampling, is used to construct an accurate free energy profile at different temperatures for MIL-53(Al) from first principles at the PBE+D3(BJ) level of theory. This study yields insight into the importance of the different aspects such as entropy contributions and anharmonic contributions on the resulting free energy profile. As such, this thorough study provides unparalleled insight in the thermodynamics of the large structural deformations of flexible materials.

  8. Energy Transfer Efficiency from ZnO-Nanocrystals to Eu3+ Ions Embedded in SiO₂ Film for Emission at 614 nm.

    PubMed

    Mangalam, Vivek; Pita, Kantisara

    2017-08-10

    In this work, we study the energy transfer mechanism from ZnO nanocrystals (ZnO-nc) to Eu 3+ ions by fabricating thin-film samples of ZnO-nc and Eu 3+ ions embedded in a SiO₂ matrix using the low-cost sol-gel technique. The time-resolved photoluminescence (TRPL) measurements from the samples were analyzed to understand the contribution of energy transfer from the various ZnO-nc emission centers to Eu 3+ ions. The decay time obtained from the TRPL measurements was used to calculate the energy transfer efficiencies from the ZnO-nc emission centers, and these results were compared with the energy transfer efficiencies calculated from steady-state photoluminescence emission results. The results in this work show that high transfer efficiencies from the excitonic and Zn defect emission centers is mostly due to the energy transfer from ZnO-nc to Eu 3+ ions which results in the radiative emission from the Eu 3+ ions at 614 nm, while the energy transfer from the oxygen defect emissions is most probably due to the energy transfer from ZnO-nc to the new defects created due to the incorporation of the Eu 3+ ions.

  9. Photon energy upconversion through thermal radiation with the power efficiency reaching 16%.

    PubMed

    Wang, Junxin; Ming, Tian; Jin, Zhao; Wang, Jianfang; Sun, Ling-Dong; Yan, Chun-Hua

    2014-11-28

    The efficiency of many solar energy conversion technologies is limited by their poor response to low-energy solar photons. One way for overcoming this limitation is to develop materials and methods that can efficiently convert low-energy photons into high-energy ones. Here we show that thermal radiation is an attractive route for photon energy upconversion, with efficiencies higher than those of state-of-the-art energy transfer upconversion under continuous wave laser excitation. A maximal power upconversion efficiency of 16% is achieved on Yb(3+)-doped ZrO2. By examining various oxide samples doped with lanthanide or transition metal ions, we draw guidelines that materials with high melting points, low thermal conductivities and strong absorption to infrared light deliver high upconversion efficiencies. The feasibility of our upconversion approach is further demonstrated under concentrated sunlight excitation and continuous wave 976-nm laser excitation, where the upconverted white light is absorbed by Si solar cells to generate electricity and drive optical and electrical devices.

  10. A low-rank matrix recovery approach for energy efficient EEG acquisition for a wireless body area network.

    PubMed

    Majumdar, Angshul; Gogna, Anupriya; Ward, Rabab

    2014-08-25

    We address the problem of acquiring and transmitting EEG signals in Wireless Body Area Networks (WBAN) in an energy efficient fashion. In WBANs, the energy is consumed by three operations: sensing (sampling), processing and transmission. Previous studies only addressed the problem of reducing the transmission energy. For the first time, in this work, we propose a technique to reduce sensing and processing energy as well: this is achieved by randomly under-sampling the EEG signal. We depart from previous Compressed Sensing based approaches and formulate signal recovery (from under-sampled measurements) as a matrix completion problem. A new algorithm to solve the matrix completion problem is derived here. We test our proposed method and find that the reconstruction accuracy of our method is significantly better than state-of-the-art techniques; and we achieve this while saving sensing, processing and transmission energy. Simple power analysis shows that our proposed methodology consumes considerably less power compared to previous CS based techniques.

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

    Gibson-Grant, Amy

    Postwave tracking study for the Energy Efficiency Adult Campaign This study serves as measure of key metrics among the campaign’s target audience, homeowners age 25+. Key measures include: Awareness of messages relating to the broad issue; Recognition of the PSAs; Relevant attitudes, including interest, ease of taking energy efficient steps, and likelihood to act; Relevant knowledge, including knowledge of light bulb alternatives and energy efficient options; and Relevant behaviors, including specific energy-saving behaviors mentioned within the PSAs. Wave 1: May 27 – June 7, 2011 Wave 2: May 29 – June 8, 2012 Wave 3: May 29 – June 19,more » 2014 General market sample of adults 25+ who own their homes W1 sample: n = 704; W2: n=701; W3: n=806 Online Survey Panel Methodology Study was fielded by Lightspeed Research among their survey panel. Sample is US Census representative of US homeowners by race/ethnicity, income, age, region, and family status. At least 30% of respondents were required to have not updated major appliances in their home in the past 5 years (dishwasher, stove, refrigerator, washer, or dryer).« less

  12. Sampling free energy surfaces as slices by combining umbrella sampling and metadynamics.

    PubMed

    Awasthi, Shalini; Kapil, Venkat; Nair, Nisanth N

    2016-06-15

    Metadynamics (MTD) is a very powerful technique to sample high-dimensional free energy landscapes, and due to its self-guiding property, the method has been successful in studying complex reactions and conformational changes. MTD sampling is based on filling the free energy basins by biasing potentials and thus for cases with flat, broad, and unbound free energy wells, the computational time to sample them becomes very large. To alleviate this problem, we combine the standard Umbrella Sampling (US) technique with MTD to sample orthogonal collective variables (CVs) in a simultaneous way. Within this scheme, we construct the equilibrium distribution of CVs from biased distributions obtained from independent MTD simulations with umbrella potentials. Reweighting is carried out by a procedure that combines US reweighting and Tiwary-Parrinello MTD reweighting within the Weighted Histogram Analysis Method (WHAM). The approach is ideal for a controlled sampling of a CV in a MTD simulation, making it computationally efficient in sampling flat, broad, and unbound free energy surfaces. This technique also allows for a distributed sampling of a high-dimensional free energy surface, further increasing the computational efficiency in sampling. We demonstrate the application of this technique in sampling high-dimensional surface for various chemical reactions using ab initio and QM/MM hybrid molecular dynamics simulations. Further, to carry out MTD bias reweighting for computing forward reaction barriers in ab initio or QM/MM simulations, we propose a computationally affordable approach that does not require recrossing trajectories. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  13. Directed Diffusion Modelling for Tesso Nilo National Parks Case Study

    NASA Astrophysics Data System (ADS)

    Yasri, Indra; Safrianti, Ery

    2018-01-01

    — Directed Diffusion (DD has ability to achieve energy efficiency in Wireless Sensor Network (WSN). This paper proposes Directed Diffusion (DD) modelling for Tesso Nilo National Parks (TNNP) case study. There are 4 stages of scenarios involved in this modelling. It’s started by appointing of sampling area through GPS coordinate. The sampling area is determined by optimization processes from 500m x 500m up to 1000m x 1000m with 100m increment in between. The next stage is sensor node placement. Sensor node is distributed in sampling area with three different quantities i.e. 20 nodes, 30 nodes and 40 nodes. One of those quantities is choose as an optimized sensor node placement. The third stage is to implement all scenarios in stages 1 and stages 2 on DD modelling. In the last stage, the evaluation process to achieve most energy efficient in the combination of optimized sampling area and optimized sensor node placement on Direct Diffusion (DD) routing protocol. The result shows combination between sampling area 500m x 500m and 20 nodes able to achieve energy efficient to support a forest preventive fire system at Tesso Nilo National Parks.

  14. Plasma Accelerator and Energy Conversion Research

    DTIC Science & Technology

    1982-10-29

    performance tests have been accomplished. A self-contained recirculating AMTEC device with a thermal to electric conversion efficiency of 19% has been...combined efficiency . These two match up particularly well, because thermionic conversion is a high temperature technique, whereas AMTEC is limited to...EXPERIENTAL: Samples: The samples were prepared with a high rate DC magnetron sputtering apparatus ( SFI model 1 ). The sample set consisted of four

  15. Comparison of fuel value and combustion characteristics of two different RDF samples.

    PubMed

    Sever Akdağ, A; Atımtay, A; Sanin, F D

    2016-01-01

    Generation of Municipal Solid Waste (MSW) tends to increase with the growing population and economic development of the society; therefore, establishing environmentally sustainable waste management strategies is crucial. In this sense, waste to energy strategies have come into prominence since they increase the resource efficiency and replace the fossil fuels with renewable energy sources by enabling material and energy recovery instead of landfill disposal of the wastes. Refuse Derived Fuel (RDF), which is an alternative fuel produced from energy-rich Municipal Solid Waste (MSW) materials diverted from landfills, is one of the waste to energy strategies gaining more and more attention. This study aims to investigate the thermal characteristics and co-combustion efficiency of two RDF samples in Turkey. Proximate, ultimate and thermogravimetric analyses (TGA) were conducted on these samples. Furthermore, elemental compositions of ash from RDF samples were determined by X-Ray Fluorescence (XRF) analysis. The RDF samples were combusted alone and co-combusted in mixtures with coal and petroleum coke in a lab scale reactor at certain percentages on energy basis (3%, 5%, 10%, 20% and 30%) where co-combustion processes and efficiencies were investigated. It was found that the calorific values of RDF samples on dry basis were close to that of coal and a little lower compared to petroleum coke used in this study. Furthermore, the analysis indicated that when RDF in the mixture was higher than 10%, the CO concentration in the flue gas increased and so the combustion efficiency decreased; furthermore, the combustion characteristics changed from char combustion to volatile combustion. However, RDF addition to the fuel mixtures decreased the SO2 emission and did not change the NOx profiles. Also, XRF analysis showed that the slagging and fouling potential of RDF combustion was a function of RDF portion in fuel blend. When the RDF was combusted alone, the slagging and fouling indices of its ash were found to be higher than the limit values producing slagging and fouling. Copyright © 2015 Elsevier Ltd. All rights reserved.

  16. Free-energy analyses of a proton transfer reaction by simulated-tempering umbrella sampling and first-principles molecular dynamics simulations.

    PubMed

    Mori, Yoshiharu; Okamoto, Yuko

    2013-02-01

    A simulated tempering method, which is referred to as simulated-tempering umbrella sampling, for calculating the free energy of chemical reactions is proposed. First principles molecular dynamics simulations with this simulated tempering were performed to study the intramolecular proton transfer reaction of malonaldehyde in an aqueous solution. Conformational sampling in reaction coordinate space can be easily enhanced with this method, and the free energy along a reaction coordinate can be calculated accurately. Moreover, the simulated-tempering umbrella sampling provides trajectory data more efficiently than the conventional umbrella sampling method.

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

    Aznar, Alexandra; Day, Megan; Doris, Elizabeth

    The report analyzes and presents information learned from a sample of 20 cities across the United States, from New York City to Park City, Utah, including a diverse sample of population size, utility type, region, annual greenhouse gas reduction targets, vehicle use, and median household income. The report compares climate, sustainability, and energy plans to better understand where cities are taking energy-related actions and how they are measuring impacts. Some common energy-related goals focus on reducing city-wide carbon emissions, improving energy efficiency across sectors, increasing renewable energy, and increasing biking and walking.

  18. Energy Efficiency in Gait, Activity, Participation, and Health Status in Children with Cerebral Palsy

    ERIC Educational Resources Information Center

    Kerr, Claire; Parkes, Jackie; Stevenson, Mike; Cosgrove, Aidan P.; McDowell, Brona C.

    2008-01-01

    The aim of the study was to establish if a relationship exists between the energy efficiency of gait, and measures of activity limitation, participation restriction, and health status in a representative sample of children with cerebral palsy (CP). Secondary aims were to investigate potential differences between clinical subtypes and gross motor…

  19. Measuring energy efficiency in economics: Shadow value approach

    NASA Astrophysics Data System (ADS)

    Khademvatani, Asgar

    For decades, academic scholars and policy makers have commonly applied a simple average measure, energy intensity, for studying energy efficiency. In contrast, we introduce a distinctive marginal measure called energy shadow value (SV) for modeling energy efficiency drawn on economic theory. This thesis demonstrates energy SV advantages, conceptually and empirically, over the average measure recognizing marginal technical energy efficiency and unveiling allocative energy efficiency (energy SV to energy price). Using a dual profit function, the study illustrates how treating energy as quasi-fixed factor called quasi-fixed approach offers modeling advantages and is appropriate in developing an explicit model for energy efficiency. We address fallacies and misleading results using average measure and demonstrate energy SV advantage in inter- and intra-country energy efficiency comparison. Energy efficiency dynamics and determination of efficient allocation of energy use are shown through factors impacting energy SV: capital, technology, and environmental obligations. To validate the energy SV, we applied a dual restricted cost model using KLEM dataset for the 35 US sectors stretching from 1958 to 2000 and selected a sample of the four sectors. Following the empirical results, predicted wedges between energy price and the SV growth indicate a misallocation of energy use in stone, clay and glass (SCG) and communications (Com) sectors with more evidence in the SCG compared to the Com sector, showing overshoot in energy use relative to optimal paths and cost increases from sub-optimal energy use. The results show that energy productivity is a measure of technical efficiency and is void of information on the economic efficiency of energy use. Decomposing energy SV reveals that energy, capital and technology played key roles in energy SV increases helping to consider and analyze policy implications of energy efficiency improvement. Applying the marginal measure, we also contributed to energy efficiency convergence analysis employing the delta-convergence and unconditional & conditional beta-convergence concepts, investigating economic energy efficiency differences across the four US sectors using panel data models. The results show that, in terms of technical and allocative energy efficiency, the energy-intensive sectors, SCG and textile mill products, tend to catch the energy extensive sectors, the Com and furniture & fixtures, being conditional on sector-specific characteristics. Conditional convergence results indicate that technology, capital and energy are crucial factors in determining energy efficiency differences across the US sectors, implying that environmental or energy policies, and technological changes should be industry specific across the US sectors. The main finding is that the marginal value measure conveys information on both technical and allocative energy efficiency and accounts for all costs and benefits of energy consumption including environmental and externality costs.

  20. An integrate-over-temperature approach for enhanced sampling.

    PubMed

    Gao, Yi Qin

    2008-02-14

    A simple method is introduced to achieve efficient random walking in the energy space in molecular dynamics simulations which thus enhances the sampling over a large energy range. The approach is closely related to multicanonical and replica exchange simulation methods in that it allows configurations of the system to be sampled in a wide energy range by making use of Boltzmann distribution functions at multiple temperatures. A biased potential is quickly generated using this method and is then used in accelerated molecular dynamics simulations.

  1. Chance-constrained economic dispatch with renewable energy and storage

    DOE PAGES

    Cheng, Jianqiang; Chen, Richard Li-Yang; Najm, Habib N.; ...

    2018-04-19

    Increased penetration of renewables, along with uncertainties associated with them, have transformed how power systems are operated. High levels of uncertainty means that it is not longer possible to guarantee operational feasibility with certainty, instead constraints are required to be satisfied with high probability. We present a chance-constrained economic dispatch model that efficiently integrates energy storage and high renewable penetration to satisfy renewable portfolio requirements. Specifically, it is required that wind energy contributes at least a prespecified ratio of the total demand and that the scheduled wind energy is dispatchable with high probability. We develop an approximated partial sample averagemore » approximation (PSAA) framework to enable efficient solution of large-scale chanceconstrained economic dispatch problems. Computational experiments on the IEEE-24 bus system show that the proposed PSAA approach is more accurate, closer to the prescribed tolerance, and about 100 times faster than sample average approximation. Improved efficiency of our PSAA approach enables solution of WECC-240 system in minutes.« less

  2. Chance-constrained economic dispatch with renewable energy and storage

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

    Cheng, Jianqiang; Chen, Richard Li-Yang; Najm, Habib N.

    Increased penetration of renewables, along with uncertainties associated with them, have transformed how power systems are operated. High levels of uncertainty means that it is not longer possible to guarantee operational feasibility with certainty, instead constraints are required to be satisfied with high probability. We present a chance-constrained economic dispatch model that efficiently integrates energy storage and high renewable penetration to satisfy renewable portfolio requirements. Specifically, it is required that wind energy contributes at least a prespecified ratio of the total demand and that the scheduled wind energy is dispatchable with high probability. We develop an approximated partial sample averagemore » approximation (PSAA) framework to enable efficient solution of large-scale chanceconstrained economic dispatch problems. Computational experiments on the IEEE-24 bus system show that the proposed PSAA approach is more accurate, closer to the prescribed tolerance, and about 100 times faster than sample average approximation. Improved efficiency of our PSAA approach enables solution of WECC-240 system in minutes.« less

  3. Exploring the Energy Landscapes of Protein Folding Simulations with Bayesian Computation

    PubMed Central

    Burkoff, Nikolas S.; Várnai, Csilla; Wells, Stephen A.; Wild, David L.

    2012-01-01

    Nested sampling is a Bayesian sampling technique developed to explore probability distributions localized in an exponentially small area of the parameter space. The algorithm provides both posterior samples and an estimate of the evidence (marginal likelihood) of the model. The nested sampling algorithm also provides an efficient way to calculate free energies and the expectation value of thermodynamic observables at any temperature, through a simple post processing of the output. Previous applications of the algorithm have yielded large efficiency gains over other sampling techniques, including parallel tempering. In this article, we describe a parallel implementation of the nested sampling algorithm and its application to the problem of protein folding in a Gō-like force field of empirical potentials that were designed to stabilize secondary structure elements in room-temperature simulations. We demonstrate the method by conducting folding simulations on a number of small proteins that are commonly used for testing protein-folding procedures. A topological analysis of the posterior samples is performed to produce energy landscape charts, which give a high-level description of the potential energy surface for the protein folding simulations. These charts provide qualitative insights into both the folding process and the nature of the model and force field used. PMID:22385859

  4. Exploring the energy landscapes of protein folding simulations with Bayesian computation.

    PubMed

    Burkoff, Nikolas S; Várnai, Csilla; Wells, Stephen A; Wild, David L

    2012-02-22

    Nested sampling is a Bayesian sampling technique developed to explore probability distributions localized in an exponentially small area of the parameter space. The algorithm provides both posterior samples and an estimate of the evidence (marginal likelihood) of the model. The nested sampling algorithm also provides an efficient way to calculate free energies and the expectation value of thermodynamic observables at any temperature, through a simple post processing of the output. Previous applications of the algorithm have yielded large efficiency gains over other sampling techniques, including parallel tempering. In this article, we describe a parallel implementation of the nested sampling algorithm and its application to the problem of protein folding in a Gō-like force field of empirical potentials that were designed to stabilize secondary structure elements in room-temperature simulations. We demonstrate the method by conducting folding simulations on a number of small proteins that are commonly used for testing protein-folding procedures. A topological analysis of the posterior samples is performed to produce energy landscape charts, which give a high-level description of the potential energy surface for the protein folding simulations. These charts provide qualitative insights into both the folding process and the nature of the model and force field used. Copyright © 2012 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  5. Accelerated weight histogram method for exploring free energy landscapes

    NASA Astrophysics Data System (ADS)

    Lindahl, V.; Lidmar, J.; Hess, B.

    2014-07-01

    Calculating free energies is an important and notoriously difficult task for molecular simulations. The rapid increase in computational power has made it possible to probe increasingly complex systems, yet extracting accurate free energies from these simulations remains a major challenge. Fully exploring the free energy landscape of, say, a biological macromolecule typically requires sampling large conformational changes and slow transitions. Often, the only feasible way to study such a system is to simulate it using an enhanced sampling method. The accelerated weight histogram (AWH) method is a new, efficient extended ensemble sampling technique which adaptively biases the simulation to promote exploration of the free energy landscape. The AWH method uses a probability weight histogram which allows for efficient free energy updates and results in an easy discretization procedure. A major advantage of the method is its general formulation, making it a powerful platform for developing further extensions and analyzing its relation to already existing methods. Here, we demonstrate its efficiency and general applicability by calculating the potential of mean force along a reaction coordinate for both a single dimension and multiple dimensions. We make use of a non-uniform, free energy dependent target distribution in reaction coordinate space so that computational efforts are not wasted on physically irrelevant regions. We present numerical results for molecular dynamics simulations of lithium acetate in solution and chignolin, a 10-residue long peptide that folds into a β-hairpin. We further present practical guidelines for setting up and running an AWH simulation.

  6. Accelerated weight histogram method for exploring free energy landscapes.

    PubMed

    Lindahl, V; Lidmar, J; Hess, B

    2014-07-28

    Calculating free energies is an important and notoriously difficult task for molecular simulations. The rapid increase in computational power has made it possible to probe increasingly complex systems, yet extracting accurate free energies from these simulations remains a major challenge. Fully exploring the free energy landscape of, say, a biological macromolecule typically requires sampling large conformational changes and slow transitions. Often, the only feasible way to study such a system is to simulate it using an enhanced sampling method. The accelerated weight histogram (AWH) method is a new, efficient extended ensemble sampling technique which adaptively biases the simulation to promote exploration of the free energy landscape. The AWH method uses a probability weight histogram which allows for efficient free energy updates and results in an easy discretization procedure. A major advantage of the method is its general formulation, making it a powerful platform for developing further extensions and analyzing its relation to already existing methods. Here, we demonstrate its efficiency and general applicability by calculating the potential of mean force along a reaction coordinate for both a single dimension and multiple dimensions. We make use of a non-uniform, free energy dependent target distribution in reaction coordinate space so that computational efforts are not wasted on physically irrelevant regions. We present numerical results for molecular dynamics simulations of lithium acetate in solution and chignolin, a 10-residue long peptide that folds into a β-hairpin. We further present practical guidelines for setting up and running an AWH simulation.

  7. Broadband down-conversion based near infrared quantum cutting in Eu{sup 2+}–Yb{sup 3+} co-doped SrAl{sub 2}O{sub 4} for crystalline silicon solar cells

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

    Tai, Yuping, E-mail: yupingtai@126.com; Zheng, Guojun, E-mail: zhengguojun88@126.com; Wang, Hui, E-mail: huiwang@nwu.edu.cn

    2015-03-15

    Near infrared (NIR) quantum cutting involving the down conversion of an absorbed visible photon to emission of two NIR photons was achieved in SrAl{sub 2}O{sub 4}:0.01Eu{sup 2+}, xYb{sup 3+} (x=0, 1, 2, 5, 10, 20, 30 mol%) samples. The photoluminescence properties of samples in visible and NIR regions were measured to verify the energy transfer (ET) from Eu{sup 2+} to Yb{sup 3+}. The results demonstrated that Eu{sup 2+} was an efficient sensitizer for Yb{sup 3+} in the SrAl{sub 2}O{sub 4} host lattice. According to Gaussian fitting analysis and temperature-dependent luminescence experiments, the conclusion was drawn that the cooperative energy transfermore » (CET) process dominated the ET process and the influence of charge transfer state (CTS) of Yb{sup 3+} could be negligible. As a result, the high energy transfer efficiency (ETE) and quantum yield (QY) have been acquired, the maximum value approached 73.68% and 147.36%, respectively. Therefore, this down-conversion material has potential application in crystalline silicon solar cells to improve conversion efficiency. - Graphical abstract: Near infrared quantum cutting was achieved in Eu{sup 2+}–Yb{sup 3+} co-doped SrAl{sub 2}O{sub 4} samples. The cooperative energy transfer process dominated energy transfer process and high energy transfer efficiency was acquired. - Highlights: • The absorption spectrum of Eu{sup 2+} ion is strong in intensity and broad in bandwidth. • The spectra of Eu{sup 2+} in SrAl{sub 2}O{sub 4} lies in the strongest region of solar spectrum. • The cooperative energy transfer (CET) dominated the energy transfer process. • The domination of CET is confirmed by experimental analysis. • SrAl{sub 2}O{sub 4}:Eu{sup 2+},Yb{sup 3+} show high energy transfer efficiency and long lifetime.« less

  8. Time- and energy-efficient solution combustion synthesis of binary metal tungstate nanoparticles with enhanced photocatalytic activity.

    PubMed

    Thomas, Abegayl; Janáky, Csaba; Samu, Gergely F; Huda, Muhammad N; Sarker, Pranab; Liu, J Ping; van Nguyen, Vuong; Wang, Evelyn H; Schug, Kevin A; Rajeshwar, Krishnan

    2015-05-22

    In the search for stable and efficient photocatalysts beyond TiO2 , the tungsten-based oxide semiconductors silver tungstate (Ag2 WO4 ), copper tungstate (CuWO4 ), and zinc tungstate (ZnWO4 ) were prepared using solution combustion synthesis (SCS). The tungsten precursor's influence on the product was of particular relevance to this study, and the most significant effects are highlighted. Each sample's photocatalytic activity towards methyl orange degradation was studied and benchmarked against their respective commercial oxide sample obtained by solid-state ceramic synthesis. Based on the results herein, we conclude that SCS is a time- and energy-efficient method to synthesize crystalline binary tungstate nanomaterials even without additional excessive heat treatment. As many of these photocatalysts possess excellent photocatalytic activity, the discussed synthetic strategy may open sustainable materials chemistry avenues to solar energy conversion and environmental remediation. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Accelerated molecular dynamics: A promising and efficient simulation method for biomolecules

    NASA Astrophysics Data System (ADS)

    Hamelberg, Donald; Mongan, John; McCammon, J. Andrew

    2004-06-01

    Many interesting dynamic properties of biological molecules cannot be simulated directly using molecular dynamics because of nanosecond time scale limitations. These systems are trapped in potential energy minima with high free energy barriers for large numbers of computational steps. The dynamic evolution of many molecular systems occurs through a series of rare events as the system moves from one potential energy basin to another. Therefore, we have proposed a robust bias potential function that can be used in an efficient accelerated molecular dynamics approach to simulate the transition of high energy barriers without any advance knowledge of the location of either the potential energy wells or saddle points. In this method, the potential energy landscape is altered by adding a bias potential to the true potential such that the escape rates from potential wells are enhanced, which accelerates and extends the time scale in molecular dynamics simulations. Our definition of the bias potential echoes the underlying shape of the potential energy landscape on the modified surface, thus allowing for the potential energy minima to be well defined, and hence properly sampled during the simulation. We have shown that our approach, which can be extended to biomolecules, samples the conformational space more efficiently than normal molecular dynamics simulations, and converges to the correct canonical distribution.

  10. Low-energy transmission electron diffraction and imaging of large-area graphene

    PubMed Central

    Zhao, Wei; Xia, Bingyu; Lin, Li; Xiao, Xiaoyang; Liu, Peng; Lin, Xiaoyang; Peng, Hailin; Zhu, Yuanmin; Yu, Rong; Lei, Peng; Wang, Jiangtao; Zhang, Lina; Xu, Yong; Zhao, Mingwen; Peng, Lianmao; Li, Qunqing; Duan, Wenhui; Liu, Zhongfan; Fan, Shoushan; Jiang, Kaili

    2017-01-01

    Two-dimensional (2D) materials have attracted interest because of their excellent properties and potential applications. A key step in realizing industrial applications is to synthesize wafer-scale single-crystal samples. Until now, single-crystal samples, such as graphene domains up to the centimeter scale, have been synthesized. However, a new challenge is to efficiently characterize large-area samples. Currently, the crystalline characterization of these samples still relies on selected-area electron diffraction (SAED) or low-energy electron diffraction (LEED), which is more suitable for characterizing very small local regions. This paper presents a highly efficient characterization technique that adopts a low-energy electrostatically focused electron gun and a super-aligned carbon nanotube (SACNT) film sample support. It allows rapid crystalline characterization of large-area graphene through a single photograph of a transmission-diffracted image at a large beam size. Additionally, the low-energy electron beam enables the observation of a unique diffraction pattern of adsorbates on the suspended graphene at room temperature. This work presents a simple and convenient method for characterizing the macroscopic structures of 2D materials, and the instrument we constructed allows the study of the weak interaction with 2D materials. PMID:28879233

  11. Low-energy transmission electron diffraction and imaging of large-area graphene.

    PubMed

    Zhao, Wei; Xia, Bingyu; Lin, Li; Xiao, Xiaoyang; Liu, Peng; Lin, Xiaoyang; Peng, Hailin; Zhu, Yuanmin; Yu, Rong; Lei, Peng; Wang, Jiangtao; Zhang, Lina; Xu, Yong; Zhao, Mingwen; Peng, Lianmao; Li, Qunqing; Duan, Wenhui; Liu, Zhongfan; Fan, Shoushan; Jiang, Kaili

    2017-09-01

    Two-dimensional (2D) materials have attracted interest because of their excellent properties and potential applications. A key step in realizing industrial applications is to synthesize wafer-scale single-crystal samples. Until now, single-crystal samples, such as graphene domains up to the centimeter scale, have been synthesized. However, a new challenge is to efficiently characterize large-area samples. Currently, the crystalline characterization of these samples still relies on selected-area electron diffraction (SAED) or low-energy electron diffraction (LEED), which is more suitable for characterizing very small local regions. This paper presents a highly efficient characterization technique that adopts a low-energy electrostatically focused electron gun and a super-aligned carbon nanotube (SACNT) film sample support. It allows rapid crystalline characterization of large-area graphene through a single photograph of a transmission-diffracted image at a large beam size. Additionally, the low-energy electron beam enables the observation of a unique diffraction pattern of adsorbates on the suspended graphene at room temperature. This work presents a simple and convenient method for characterizing the macroscopic structures of 2D materials, and the instrument we constructed allows the study of the weak interaction with 2D materials.

  12. Treatment of emulsified oils by electrocoagulation: pulsed voltage applications.

    PubMed

    Genc, Ayten; Bakirci, Busra

    2015-01-01

    The effect of pulsed voltage application on energy consumption during electrocoagulation was investigated. Three voltage profiles having the same arithmetic average with respect to time were applied to the electrodes. The specific energy consumption for these profiles were evaluated and analyzed together with oil removal efficiencies. The effects of applied voltages, electrode materials, electrode configurations, and pH on oil removal efficiency were determined. Electrocoagulation experiments were performed by using synthetic and real wastewater samples. The pulsed voltages saved energy during the electrocoagulation process. In continuous operation, energy saving was as high as 48%. Aluminum electrodes used for the treatment of emulsified oils resulted in higher oil removal efficiencies in comparison with stainless steel and iron electrodes. When the electrodes gap was less than 1 cm, higher oil removal efficiencies were obtained. The highest oil removal efficiencies were 95% and 35% for the batch and continuous operating modes, respectively.

  13. High efficiency β radioisotope energy conversion using reciprocating electromechanical converters with integrated betavoltaics

    NASA Astrophysics Data System (ADS)

    Duggirala, Rajesh; Li, Hui; Lal, Amit

    2008-04-01

    We demonstrate a 5.1% energy conversion efficiency Ni63 radioisotope power generator by integrating silicon betavoltaic converters with radioisotope actuated reciprocating piezoelectric unimorph cantilever converters. The electromechanical energy converter efficiently utilizes both the kinetic energy and the electrical charge of the 0.94μW β radiation from a 9mCi Ni63 thin film source to generate maximum (1) continuous betavoltaic electrical power output of 22nW and (2) pulsed piezoelectric electrical power output of 750μW at 0.07% duty cycle. The electromechanical converters can be potentially used to realize 100year lifetime power sources for powering periodic sampling remote wireless sensor microsystems.

  14. An Energy Efficient Adaptive Sampling Algorithm in a Sensor Network for Automated Water Quality Monitoring.

    PubMed

    Shu, Tongxin; Xia, Min; Chen, Jiahong; Silva, Clarence de

    2017-11-05

    Power management is crucial in the monitoring of a remote environment, especially when long-term monitoring is needed. Renewable energy sources such as solar and wind may be harvested to sustain a monitoring system. However, without proper power management, equipment within the monitoring system may become nonfunctional and, as a consequence, the data or events captured during the monitoring process will become inaccurate as well. This paper develops and applies a novel adaptive sampling algorithm for power management in the automated monitoring of the quality of water in an extensive and remote aquatic environment. Based on the data collected on line using sensor nodes, a data-driven adaptive sampling algorithm (DDASA) is developed for improving the power efficiency while ensuring the accuracy of sampled data. The developed algorithm is evaluated using two distinct key parameters, which are dissolved oxygen (DO) and turbidity. It is found that by dynamically changing the sampling frequency, the battery lifetime can be effectively prolonged while maintaining a required level of sampling accuracy. According to the simulation results, compared to a fixed sampling rate, approximately 30.66% of the battery energy can be saved for three months of continuous water quality monitoring. Using the same dataset to compare with a traditional adaptive sampling algorithm (ASA), while achieving around the same Normalized Mean Error (NME), DDASA is superior in saving 5.31% more battery energy.

  15. An Energy Efficient Adaptive Sampling Algorithm in a Sensor Network for Automated Water Quality Monitoring

    PubMed Central

    Shu, Tongxin; Xia, Min; Chen, Jiahong; de Silva, Clarence

    2017-01-01

    Power management is crucial in the monitoring of a remote environment, especially when long-term monitoring is needed. Renewable energy sources such as solar and wind may be harvested to sustain a monitoring system. However, without proper power management, equipment within the monitoring system may become nonfunctional and, as a consequence, the data or events captured during the monitoring process will become inaccurate as well. This paper develops and applies a novel adaptive sampling algorithm for power management in the automated monitoring of the quality of water in an extensive and remote aquatic environment. Based on the data collected on line using sensor nodes, a data-driven adaptive sampling algorithm (DDASA) is developed for improving the power efficiency while ensuring the accuracy of sampled data. The developed algorithm is evaluated using two distinct key parameters, which are dissolved oxygen (DO) and turbidity. It is found that by dynamically changing the sampling frequency, the battery lifetime can be effectively prolonged while maintaining a required level of sampling accuracy. According to the simulation results, compared to a fixed sampling rate, approximately 30.66% of the battery energy can be saved for three months of continuous water quality monitoring. Using the same dataset to compare with a traditional adaptive sampling algorithm (ASA), while achieving around the same Normalized Mean Error (NME), DDASA is superior in saving 5.31% more battery energy. PMID:29113087

  16. Method Evaluations for Adsorption Free Energy Calculations at the Solid/Water Interface through Metadynamics, Umbrella Sampling, and Jarzynski's Equality.

    PubMed

    Wei, Qichao; Zhao, Weilong; Yang, Yang; Cui, Beiliang; Xu, Zhijun; Yang, Xiaoning

    2018-03-19

    Considerable interest in characterizing protein/peptide-surface interactions has prompted extensive computational studies on calculations of adsorption free energy. However, in many cases, each individual study has focused on the application of free energy calculations to a specific system; therefore, it is difficult to combine the results into a general picture for choosing an appropriate strategy for the system of interest. Herein, three well-established computational algorithms are systemically compared and evaluated to compute the adsorption free energy of small molecules on two representative surfaces. The results clearly demonstrate that the characteristics of studied interfacial systems have crucial effects on the accuracy and efficiency of the adsorption free energy calculations. For the hydrophobic surface, steered molecular dynamics exhibits the highest efficiency, which appears to be a favorable method of choice for enhanced sampling simulations. However, for the charged surface, only the umbrella sampling method has the ability to accurately explore the adsorption free energy surface. The affinity of the water layer to the surface significantly affects the performance of free energy calculation methods, especially at the region close to the surface. Therefore, a general principle of how to discriminate between methodological and sampling issues based on the interfacial characteristics of the system under investigation is proposed. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. The effects of an energy efficiency retrofit on indoor air quality.

    PubMed

    Frey, S E; Destaillats, H; Cohn, S; Ahrentzen, S; Fraser, M P

    2015-04-01

    To investigate the impacts of an energy efficiency retrofit, indoor air quality and resident health were evaluated at a low-income senior housing apartment complex in Phoenix, Arizona, before and after a green energy building renovation. Indoor and outdoor air quality sampling was carried out simultaneously with a questionnaire to characterize personal habits and general health of residents. Measured indoor formaldehyde levels before the building retrofit routinely exceeded reference exposure limits, but in the long-term follow-up sampling, indoor formaldehyde decreased for the entire study population by a statistically significant margin. Indoor PM levels were dominated by fine particles and showed a statistically significant decrease in the long-term follow-up sampling within certain resident subpopulations (i.e. residents who report smoking and residents who had lived longer at the apartment complex). © 2014 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  18. Efficient multidimensional free energy calculations for ab initio molecular dynamics using classical bias potentials

    NASA Astrophysics Data System (ADS)

    VandeVondele, Joost; Rothlisberger, Ursula

    2000-09-01

    We present a method for calculating multidimensional free energy surfaces within the limited time scale of a first-principles molecular dynamics scheme. The sampling efficiency is enhanced using selected terms of a classical force field as a bias potential. This simple procedure yields a very substantial increase in sampling accuracy while retaining the high quality of the underlying ab initio potential surface and can thus be used for a parameter free calculation of free energy surfaces. The success of the method is demonstrated by the applications to two gas phase molecules, ethane and peroxynitrous acid, as test case systems. A statistical analysis of the results shows that the entire free energy landscape is well converged within a 40 ps simulation at 500 K, even for a system with barriers as high as 15 kcal/mol.

  19. Free energy computations by minimization of Kullback-Leibler divergence: An efficient adaptive biasing potential method for sparse representations

    NASA Astrophysics Data System (ADS)

    Bilionis, I.; Koutsourelakis, P. S.

    2012-05-01

    The present paper proposes an adaptive biasing potential technique for the computation of free energy landscapes. It is motivated by statistical learning arguments and unifies the tasks of biasing the molecular dynamics to escape free energy wells and estimating the free energy function, under the same objective of minimizing the Kullback-Leibler divergence between appropriately selected densities. It offers rigorous convergence diagnostics even though history dependent, non-Markovian dynamics are employed. It makes use of a greedy optimization scheme in order to obtain sparse representations of the free energy function which can be particularly useful in multidimensional cases. It employs embarrassingly parallelizable sampling schemes that are based on adaptive Sequential Monte Carlo and can be readily coupled with legacy molecular dynamics simulators. The sequential nature of the learning and sampling scheme enables the efficient calculation of free energy functions parametrized by the temperature. The characteristics and capabilities of the proposed method are demonstrated in three numerical examples.

  20. Evaluating the prospects for sustainable energy development in a sample of Chinese villages.

    PubMed

    Mortimer, Nigel D; Grant, John F

    2008-04-01

    This paper describes the methods used to evaluate the potential for achieving sustainable energy development in six Chinese villages included in the Sustainable Users' Concepts for China Engaging Scientific Scenarios (SUCCESS) Project by examining energy efficiency potential and local renewable energy prospects. The approaches needed to obtain and analyse information on possible energy efficiency measures and renewable energy resources are summarised. Results are presented in terms of cumulative net savings in primary energy consumption, as an indicator of energy resource depletion, and associated carbon dioxide emissions, as an indicator of global climate change. Options for sustainable energy development are ranked in order of likely implementation and practical actions which could be considered in each village are identified.

  1. Calculation of absolute protein-ligand binding free energy using distributed replica sampling.

    PubMed

    Rodinger, Tomas; Howell, P Lynne; Pomès, Régis

    2008-10-21

    Distributed replica sampling [T. Rodinger et al., J. Chem. Theory Comput. 2, 725 (2006)] is a simple and general scheme for Boltzmann sampling of conformational space by computer simulation in which multiple replicas of the system undergo a random walk in reaction coordinate or temperature space. Individual replicas are linked through a generalized Hamiltonian containing an extra potential energy term or bias which depends on the distribution of all replicas, thus enforcing the desired sampling distribution along the coordinate or parameter of interest regardless of free energy barriers. In contrast to replica exchange methods, efficient implementation of the algorithm does not require synchronicity of the individual simulations. The algorithm is inherently suited for large-scale simulations using shared or heterogeneous computing platforms such as a distributed network. In this work, we build on our original algorithm by introducing Boltzmann-weighted jumping, which allows moves of a larger magnitude and thus enhances sampling efficiency along the reaction coordinate. The approach is demonstrated using a realistic and biologically relevant application; we calculate the standard binding free energy of benzene to the L99A mutant of T4 lysozyme. Distributed replica sampling is used in conjunction with thermodynamic integration to compute the potential of mean force for extracting the ligand from protein and solvent along a nonphysical spatial coordinate. Dynamic treatment of the reaction coordinate leads to faster statistical convergence of the potential of mean force than a conventional static coordinate, which suffers from slow transitions on a rugged potential energy surface.

  2. Calculation of absolute protein-ligand binding free energy using distributed replica sampling

    NASA Astrophysics Data System (ADS)

    Rodinger, Tomas; Howell, P. Lynne; Pomès, Régis

    2008-10-01

    Distributed replica sampling [T. Rodinger et al., J. Chem. Theory Comput. 2, 725 (2006)] is a simple and general scheme for Boltzmann sampling of conformational space by computer simulation in which multiple replicas of the system undergo a random walk in reaction coordinate or temperature space. Individual replicas are linked through a generalized Hamiltonian containing an extra potential energy term or bias which depends on the distribution of all replicas, thus enforcing the desired sampling distribution along the coordinate or parameter of interest regardless of free energy barriers. In contrast to replica exchange methods, efficient implementation of the algorithm does not require synchronicity of the individual simulations. The algorithm is inherently suited for large-scale simulations using shared or heterogeneous computing platforms such as a distributed network. In this work, we build on our original algorithm by introducing Boltzmann-weighted jumping, which allows moves of a larger magnitude and thus enhances sampling efficiency along the reaction coordinate. The approach is demonstrated using a realistic and biologically relevant application; we calculate the standard binding free energy of benzene to the L99A mutant of T4 lysozyme. Distributed replica sampling is used in conjunction with thermodynamic integration to compute the potential of mean force for extracting the ligand from protein and solvent along a nonphysical spatial coordinate. Dynamic treatment of the reaction coordinate leads to faster statistical convergence of the potential of mean force than a conventional static coordinate, which suffers from slow transitions on a rugged potential energy surface.

  3. Cyclodextrin-enhanced extraction and energy transfer of carcinogens in complex oil environments.

    PubMed

    Serio, Nicole; Chanthalyma, Chitapom; Prignano, Lindsey; Levine, Mindy

    2013-11-27

    Reported herein is the use of γ-cyclodextrin for two tandem functions: (a) the extraction of carcinogenic polycyclic aromatic hydrocarbons (PAHs) from oil samples into aqueous solution and (b) the promotion of highly efficient energy transfer from the newly extracted PAHs to a high-quantum-yield fluorophore. The extraction proceeded in moderate to good efficiencies, and the resulting cyclodextrin-promoted energy transfer led to a new, brightly fluorescent signal in aqueous solution. The resulting dual-function system (extraction followed by energy transfer) has significant relevance in the environmental detection and cleanup of oil-spill-related carcinogens.

  4. Dynamics Sampling in Transition Pathway Space.

    PubMed

    Zhou, Hongyu; Tao, Peng

    2018-01-09

    The minimum energy pathway contains important information describing the transition between two states on a potential energy surface (PES). Chain-of-states methods were developed to efficiently calculate minimum energy pathways connecting two stable states. In the chain-of-states framework, a series of structures are generated and optimized to represent the minimum energy pathway connecting two states. However, multiple pathways may exist connecting two existing states and should be identified to obtain a full view of the transitions. Therefore, we developed an enhanced sampling method, named as the direct pathway dynamics sampling (DPDS) method, to facilitate exploration of a PES for multiple pathways connecting two stable states as well as addition minima and their associated transition pathways. In the DPDS method, molecular dynamics simulations are carried out on the targeting PES within a chain-of-states framework to directly sample the transition pathway space. The simulations of DPDS could be regulated by two parameters controlling distance among states along the pathway and smoothness of the pathway. One advantage of the chain-of-states framework is that no specific reaction coordinates are necessary to generate the reaction pathway, because such information is implicitly represented by the structures along the pathway. The chain-of-states setup in a DPDS method greatly enhances the sufficient sampling in high-energy space between two end states, such as transition states. By removing the constraint on the end states of the pathway, DPDS will also sample pathways connecting minima on a PES in addition to the end points of the starting pathway. This feature makes DPDS an ideal method to directly explore transition pathway space. Three examples demonstrate the efficiency of DPDS methods in sampling the high-energy area important for reactions on the PES.

  5. Transmission of energy-saving efficiency from obese parents to their offspring: the Korean National Health and Nutrition Examination Survey 2007-2011.

    PubMed

    Kim, Y; Kim, H; Hong, Y-C

    2016-04-01

    Concerns of a growing obesity epidemic have increased since the association between obesity in parents and that in offspring was reported. However, the evidence regarding whether the energy-saving efficiency of obese parents is conveyed to their offspring and the duration of the expression of such transmitted efficiency is limited. We included 7647 matching sets of parent-offspring trios from South Korea. Multiple linear regression models were performed to estimate the energy-saving efficiency, as assessed by the associations between energy intake and obesity-related indices (waist-to-height ratio, waist circumference and body mass index z-score), and to compare the energy-saving efficiency of offspring of obese and non-obese parents. All analyses were based on a complex sample design and were stratified by gender and age. We identified a parental influence on obesity, that is, the more obese the parent, the higher the obesity-related indices of their offspring, in both genders and all age groups. The energy-saving efficiency of child offspring was highest when both parents were obese and lowest when both were non-obese; this difference was significant (P<0.05) with regard to the energy-saving efficiency of all types of intake studied, except fat. However, the energy-saving efficiency of obese and non-obese parents did not differ when their offspring were adolescents and adults. The critical window for transmission of energy-saving efficiency is limited to childhood. These findings suggest that children of obese parents should be more emphatically advised to maintain a balanced diet and to engage in regular physical activity.

  6. Assessing Energy Efficiency Opportunities in US Industrial and Commercial Building Motor Systems

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

    Rao, Prakash; Sheaffer, Paul; McKane, Aimee

    2015-09-01

    In 2002, the United States Department of Energy (USDOE) published an energy efficiency assessment of U.S. industrial sector motor systems titled United States Industrial Electric Motor Systems Market Opportunities Assessment. The assessment advanced motor system efficiency by providing a greater understanding of the energy consumption, use characteristics, and energy efficiency improvement potential of industrial sector motor systems in the U.S. Since 2002, regulations such as Minimum Energy Performance Standards, cost reductions for motor system components such as variable frequency drives, system-integrated motor-driven equipment, and awareness programs for motor system energy efficiency have changed the landscape of U.S. motor system energymore » consumption. To capture the new landscape, the USDOE has initiated a three-year Motor System Market Assessment (MSMA), led by Lawrence Berkeley National Laboratory (LBNL). The MSMA will assess the energy consumption, operational and maintenance characteristics, and efficiency improvement opportunity of U.S. industrial sector and commercial building motor systems. As part of the MSMA, a significant effort is currently underway to conduct field assessments of motor systems from a sample of facilities representative of U.S. commercial and industrial motor system energy consumption. The Field Assessment Plan used for these assessments builds on recent LBNL research presented at EEMODS 2011 and EEMODS 2013 using methods for characterizing and determining regional motor system energy efficiency opportunities. This paper provides an update on the development and progress of the MSMA, focusing on the Field Assessment Plan and the framework for assessing the global supply chain for emerging motors and drive technologies.« less

  7. Efficient Determination of Free Energy Landscapes in Multiple Dimensions from Biased Umbrella Sampling Simulations Using Linear Regression.

    PubMed

    Meng, Yilin; Roux, Benoît

    2015-08-11

    The weighted histogram analysis method (WHAM) is a standard protocol for postprocessing the information from biased umbrella sampling simulations to construct the potential of mean force with respect to a set of order parameters. By virtue of the WHAM equations, the unbiased density of state is determined by satisfying a self-consistent condition through an iterative procedure. While the method works very effectively when the number of order parameters is small, its computational cost grows rapidly in higher dimension. Here, we present a simple and efficient alternative strategy, which avoids solving the self-consistent WHAM equations iteratively. An efficient multivariate linear regression framework is utilized to link the biased probability densities of individual umbrella windows and yield an unbiased global free energy landscape in the space of order parameters. It is demonstrated with practical examples that free energy landscapes that are comparable in accuracy to WHAM can be generated at a small fraction of the cost.

  8. Efficient Determination of Free Energy Landscapes in Multiple Dimensions from Biased Umbrella Sampling Simulations Using Linear Regression

    PubMed Central

    2015-01-01

    The weighted histogram analysis method (WHAM) is a standard protocol for postprocessing the information from biased umbrella sampling simulations to construct the potential of mean force with respect to a set of order parameters. By virtue of the WHAM equations, the unbiased density of state is determined by satisfying a self-consistent condition through an iterative procedure. While the method works very effectively when the number of order parameters is small, its computational cost grows rapidly in higher dimension. Here, we present a simple and efficient alternative strategy, which avoids solving the self-consistent WHAM equations iteratively. An efficient multivariate linear regression framework is utilized to link the biased probability densities of individual umbrella windows and yield an unbiased global free energy landscape in the space of order parameters. It is demonstrated with practical examples that free energy landscapes that are comparable in accuracy to WHAM can be generated at a small fraction of the cost. PMID:26574437

  9. Pump efficiency in solar-energy systems

    NASA Technical Reports Server (NTRS)

    1978-01-01

    Study investigates characteristics of typical off-the-shelf pumping systems that might be used in solar systems. Report includes discussion of difficulties in predicting pump efficiency from manufacturers' data. Sample calculations are given. Peak efficiencies, flow-rate control, and noise levels are investigated. Review or theory of pumps types and operating characteristics is presented.

  10. Improved transition path sampling methods for simulation of rare events

    NASA Astrophysics Data System (ADS)

    Chopra, Manan; Malshe, Rohit; Reddy, Allam S.; de Pablo, J. J.

    2008-04-01

    The free energy surfaces of a wide variety of systems encountered in physics, chemistry, and biology are characterized by the existence of deep minima separated by numerous barriers. One of the central aims of recent research in computational chemistry and physics has been to determine how transitions occur between deep local minima on rugged free energy landscapes, and transition path sampling (TPS) Monte-Carlo methods have emerged as an effective means for numerical investigation of such transitions. Many of the shortcomings of TPS-like approaches generally stem from their high computational demands. Two new algorithms are presented in this work that improve the efficiency of TPS simulations. The first algorithm uses biased shooting moves to render the sampling of reactive trajectories more efficient. The second algorithm is shown to substantially improve the accuracy of the transition state ensemble by introducing a subset of local transition path simulations in the transition state. The system considered in this work consists of a two-dimensional rough energy surface that is representative of numerous systems encountered in applications. When taken together, these algorithms provide gains in efficiency of over two orders of magnitude when compared to traditional TPS simulations.

  11. Characterization of biomass waste torrefaction under conventional and microwave heating.

    PubMed

    Ho, Shih-Hsin; Zhang, Congyu; Chen, Wei-Hsin; Shen, Ying; Chang, Jo-Shu

    2018-05-13

    To evaluate the potential of microwave heating for biomass torrefaction, the torrefaction performances and energy utilization of coffee grounds and microalga residue, under conventional and microwave heating were investigated and compared with each other. For the two biomass samples, the dehydrogenation of the coffee grounds was more sensitive to torrefaction severity, whereas the microalga residue consumed more energy under the same torrefaction conditions. Microwave heating under lower torrefaction severity had a higher energy efficiency. As regard to the lower solid yields or higher torrefaction severity, the energy efficiency of microwave heating was close to that of conventional heating, irrespective of the feedstocks. This revealed the comparable energy consumption state between the two heating modes. Accordingly, it is concluded that microwave torrefaction is more efficient for biomass upgrading and densification than conventional torrefaction. Copyright © 2018 Elsevier Ltd. All rights reserved.

  12. Integrated Hamiltonian sampling: a simple and versatile method for free energy simulations and conformational sampling.

    PubMed

    Mori, Toshifumi; Hamers, Robert J; Pedersen, Joel A; Cui, Qiang

    2014-07-17

    Motivated by specific applications and the recent work of Gao and co-workers on integrated tempering sampling (ITS), we have developed a novel sampling approach referred to as integrated Hamiltonian sampling (IHS). IHS is straightforward to implement and complementary to existing methods for free energy simulation and enhanced configurational sampling. The method carries out sampling using an effective Hamiltonian constructed by integrating the Boltzmann distributions of a series of Hamiltonians. By judiciously selecting the weights of the different Hamiltonians, one achieves rapid transitions among the energy landscapes that underlie different Hamiltonians and therefore an efficient sampling of important regions of the conformational space. Along this line, IHS shares similar motivations as the enveloping distribution sampling (EDS) approach of van Gunsteren and co-workers, although the ways that distributions of different Hamiltonians are integrated are rather different in IHS and EDS. Specifically, we report efficient ways for determining the weights using a combination of histogram flattening and weighted histogram analysis approaches, which make it straightforward to include many end-state and intermediate Hamiltonians in IHS so as to enhance its flexibility. Using several relatively simple condensed phase examples, we illustrate the implementation and application of IHS as well as potential developments for the near future. The relation of IHS to several related sampling methods such as Hamiltonian replica exchange molecular dynamics and λ-dynamics is also briefly discussed.

  13. Heating and flooding: A unified approach for rapid generation of free energy surfaces

    NASA Astrophysics Data System (ADS)

    Chen, Ming; Cuendet, Michel A.; Tuckerman, Mark E.

    2012-07-01

    We propose a general framework for the efficient sampling of conformational equilibria in complex systems and the generation of associated free energy hypersurfaces in terms of a set of collective variables. The method is a strategic synthesis of the adiabatic free energy dynamics approach, previously introduced by us and others, and existing schemes using Gaussian-based adaptive bias potentials to disfavor previously visited regions. In addition, we suggest sampling the thermodynamic force instead of the probability density to reconstruct the free energy hypersurface. All these elements are combined into a robust extended phase-space formalism that can be easily incorporated into existing molecular dynamics packages. The unified scheme is shown to outperform both metadynamics and adiabatic free energy dynamics in generating two-dimensional free energy surfaces for several example cases including the alanine dipeptide in the gas and aqueous phases and the met-enkephalin oligopeptide. In addition, the method can efficiently generate higher dimensional free energy landscapes, which we demonstrate by calculating a four-dimensional surface in the Ramachandran angles of the gas-phase alanine tripeptide.

  14. Isotopic composition analysis and age dating of uranium samples by high resolution gamma ray spectrometry

    NASA Astrophysics Data System (ADS)

    Apostol, A. I.; Pantelica, A.; Sima, O.; Fugaru, V.

    2016-09-01

    Non-destructive methods were applied to determine the isotopic composition and the time elapsed since last chemical purification of nine uranium samples. The applied methods are based on measuring gamma and X radiations of uranium samples by high resolution low energy gamma spectrometric system with planar high purity germanium detector and low background gamma spectrometric system with coaxial high purity germanium detector. The ;Multigroup γ-ray Analysis Method for Uranium; (MGAU) code was used for the precise determination of samples' isotopic composition. The age of the samples was determined from the isotopic ratio 214Bi/234U. This ratio was calculated from the analyzed spectra of each uranium sample, using relative detection efficiency. Special attention is paid to the coincidence summing corrections that have to be taken into account when performing this type of analysis. In addition, an alternative approach for the age determination using full energy peak efficiencies obtained by Monte Carlo simulations with the GESPECOR code is described.

  15. Fusion energy for space missions in the 21st Century

    NASA Technical Reports Server (NTRS)

    Schulze, Norman R.

    1991-01-01

    Future space missions were hypothesized and analyzed and the energy source for their accomplishment investigated. The mission included manned Mars, scientific outposts to and robotic sample return missions from the outer planets and asteroids, as well as fly-by and rendezvous mission with the Oort Cloud and the nearest star, Alpha Centauri. Space system parametric requirements and operational features were established. The energy means for accomplishing the High Energy Space Mission were investigated. Potential energy options which could provide the propulsion and electric power system and operational requirements were reviewed and evaluated. Fusion energy was considered to be the preferred option and was analyzed in depth. Candidate fusion fuels were evaluated based upon the energy output and neutron flux. Reactors exhibiting a highly efficient use of magnetic fields for space use while at the same time offering efficient coupling to an exhaust propellant or to a direct energy convertor for efficient electrical production were examined. Near term approaches were identified.

  16. CAMEA—A novel multiplexing analyzer for neutron spectroscopy

    NASA Astrophysics Data System (ADS)

    Groitl, Felix; Graf, Dieter; Birk, Jonas Okkels; Markó, Márton; Bartkowiak, Marek; Filges, Uwe; Niedermayer, Christof; Rüegg, Christian; Rønnow, Henrik M.

    2016-03-01

    The analyzer detector system continuous angle multiple energy analysis will be installed on the cold-neutron triple-axis spectrometer RITA-2 at SINQ, PSI. CAMEA is optimized for efficiency in the horizontal scattering plane enabling rapid and detailed mapping of excitations. As a novelty the design employs a series of several sequential upward scattering analyzer arcs. Each arc is set to a different, fixed, final energy and scatters neutrons towards position sensitive detectors. Thus, neutrons with different final energies are recorded simultaneously over a large angular range. In a single data-acquisition many entire constant-energy lines in the horizontal scattering plane are recorded for a quasi-continuous angular coverage of about 60°. With a large combined coverage in energy and momentum, this will result in a very efficient spectrometer, which will be particularly suited for parametric studies under extreme conditions with restrictive sample environments (high field magnets or pressure cells) and for small samples of novel materials. In this paper we outline the concept and the specifications of the instrument currently under construction.

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

    Groitl, Felix, E-mail: felix.groitl@psi.ch; Paul Scherrer Institute, Laboratory for Neutron Scattering and Imaging, 5232 Villigen; Graf, Dieter

    The analyzer detector system continuous angle multiple energy analysis will be installed on the cold-neutron triple-axis spectrometer RITA-2 at SINQ, PSI. CAMEA is optimized for efficiency in the horizontal scattering plane enabling rapid and detailed mapping of excitations. As a novelty the design employs a series of several sequential upward scattering analyzer arcs. Each arc is set to a different, fixed, final energy and scatters neutrons towards position sensitive detectors. Thus, neutrons with different final energies are recorded simultaneously over a large angular range. In a single data-acquisition many entire constant-energy lines in the horizontal scattering plane are recorded formore » a quasi-continuous angular coverage of about 60°. With a large combined coverage in energy and momentum, this will result in a very efficient spectrometer, which will be particularly suited for parametric studies under extreme conditions with restrictive sample environments (high field magnets or pressure cells) and for small samples of novel materials. In this paper we outline the concept and the specifications of the instrument currently under construction.« less

  18. Quantitative Analysis of Defects in Silicon. [to predict energy conversion efficiency of silicon samples for solar cells

    NASA Technical Reports Server (NTRS)

    Natesh, R.; Smith, J. M.; Qidwai, H. A.; Bruce, T.

    1979-01-01

    The evaluation and prediction of the conversion efficiency for a variety of silicon samples with differences in structural defects, such as grain boundaries, twin boundaries, precipitate particles, dislocations, etc. are discussed. Quantitative characterization of these structural defects, which were revealed by etching the surface of silicon samples, is performed by using an image analyzer. Due to different crystal growth and fabrication techniques the various types of silicon contain a variety of trace impurity elements and structural defects. The two most important criteria in evaluating the various silicon types for solar cell applications are cost and conversion efficiency.

  19. The 124Sb activity standardization by gamma spectrometry for medical applications

    NASA Astrophysics Data System (ADS)

    de Almeida, M. C. M.; Iwahara, A.; Delgado, J. U.; Poledna, R.; da Silva, R. L.

    2010-07-01

    This work describes a metrological activity determination of 124Sb, which can be used as radiotracer, applying gamma spectrometry methods with hyper pure germanium detector and efficiency curves. This isotope with good activity and high radionuclidic purity is employed in the form of meglumine antimoniate (Glucantime) or sodium stibogluconate (Pentostam) to treat leishmaniasis. 124Sb is also applied in animal organ distribution studies to solve some questions in pharmacology. 124Sb decays by β-emission and it produces several photons (X and gamma rays) with energy varying from 27 to 2700 keV. Efficiency curves to measure point 124Sb solid sources were obtained from a 166mHo standard that is a multi-gamma reference source. These curves depend on radiation energy, sample geometry, photon attenuation, dead time and sample-detector position. Results for activity determination of 124Sb samples using efficiency curves and a high purity coaxial germanium detector were consistent in different counting geometries. Also uncertainties of about 2% ( k=2) were obtained.

  20. Reversal electron attachment ionizer for detection of trace species

    NASA Technical Reports Server (NTRS)

    Bernius, Mark T. (Inventor); Chutjian, Ara (Inventor)

    1990-01-01

    An in-line reversal electron, high-current ionizer capable of focusing a beam of electrons to a reversal region and executing a reversal of said electrons, such that the electrons possess zero kinetic energy at the point of reversal, may be used to produce both negative and positive ions. A sample gas is introduced at the point of electron reversal for low energy electron-(sample gas) molecule attachment with high efficiency. The attachment process produces negative ions from the sample gas, which includes species present in trace (minute) amounts. These ions are extracted efficiently and directed to a mass analyzer where they may be detected and identified. The generation and detection of positive ions is accomplished in a similar fashion with minimal adjustment to potentials applied to the apparatus.

  1. Reversal electron attachment ionizer for detection of trace species

    NASA Technical Reports Server (NTRS)

    Bernius, Mark T. (Inventor); Chutjian, Ara (Inventor)

    1989-01-01

    An in-line reversal electron, high-current ionizer capable of focusing a beam of electrons to a reversal region and executing a reversal of the electrons, such that the electrons possess zero kinetic energy at the point of reversal, may be used to produce both negative and positive ions. A sample gas is introduced at the point of electron reversal for low energy electron-(sample gas) molecule attachment with high efficiency. The attachment process produces negative ions from the sample gas, which includes species present in trace (minute) amounts. These ions are extracted efficiently and directed to a mass analyzer where they may be detected and identified. The generation and detection of positive ions is accomplished in a similar fashion with minimal adjustment to potentials applied to the apparatus.

  2. Energy-efficient electric motors study

    NASA Astrophysics Data System (ADS)

    1981-03-01

    A survey conducted of purchasers of integral horsepower polyphase motors measured current knowledge of and awareness of energy efficient motors, decision making criteria, information sources, purchase and usage patterns, and related factors. The data obtained were used for the electric motor market penetration analysis. Additionally, a telephone survey was made. The study also provides analyses of distribution channels, commercialization constraints, and the impacts of government programs and rising energy prices. Study findings, conclusions, and recommendations are presented. Sample questionnaires and copies of letters to respondents are presented in appendices as well as descriptions of the methods used.

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

    Todt, Michael A.; Isenberg, Allan E.; Nanayakkara, Sanjini U.

    Semiconducting transition-metal dichalcogenide (TMD) nanoflake thin films are promising large-area electrodes for photo-electrochemical solar energy conversion applications. However, their energy conversion efficiencies are typically much lower than those of bulk electrodes. It is unclear to what extent this efficiency gap stems from differences among nanoflakes (e.g., area, thickness, and surface structural features). It is also unclear whether individual exfoliated nanoflakes can achieve energy conversion efficiencies similar to those of bulk crystals. Here, we use a single-nanoflake photo-electrochemical approach to show that there are both highly active and completely inactive nanoflakes within a film. For the exfoliated MoSe 2 samples studiedmore » herein, 7% of nanoflakes are highly active champions, whose photocurrent efficiency exceeds that of the bulk crystal. However, 66% of nanoflakes are inactive spectators, which are mostly responsible for the overall lower photocurrent efficiency compared to the bulk crystal. The photocurrent collection efficiency increases with nanoflake area and decreases more at perimeter edges than at interior step edges. These observations, which are hidden in ensemble-level measurements, reveal the underlying performance issues of exfoliated TMD electrodes for photo-electrochemical energy conversion applications.« less

  4. Energy-efficient human body communication receiver chipset using wideband signaling scheme.

    PubMed

    Song, Seong-Jun; Cho, Namjun; Kim, Sunyoung; Yoo, Hoi-Jun

    2007-01-01

    This paper presents an energy-efficient wideband signaling receiver for communication channels using the human body as a data transmission medium. The wideband signaling scheme with the direct-coupled interface provides the energy-efficient transmission of multimedia data around the human body. The wideband signaling receiver incorporates with a receiver AFE exploiting wideband symmetric triggering technique and an all-digital CDR circuit with quadratic sampling technique. The AFE operates at 10-Mb/s data rate with input sensitivity of -27dBm and the operational bandwidth of 200-MHz. The CDR recovers clock and data of 2-Mb/s at a bit error rate of 10(-7). The receiver chipset consumes only 5-mW from a 1-V supply, thereby achieving the bit energy of 2.5-nJ/bit.

  5. The potential of Fourier transform infrared spectroscopy of milk samples to predict energy intake and efficiency in dairy cows.

    PubMed

    McParland, S; Berry, D P

    2016-05-01

    Knowledge of animal-level and herd-level energy intake, energy balance, and feed efficiency affect day-to-day herd management strategies; information on these traits at an individual animal level is also useful in animal breeding programs. A paucity of data (especially at the individual cow level), of feed intake in particular, hinders the inclusion of such attributes in herd management decision-support tools and breeding programs. Dairy producers have access to an individual cow milk sample at least once daily during lactation, and consequently any low-cost phenotyping strategy should consider exploiting measureable properties in this biological sample, reflecting the physiological status and performance of the cow. Infrared spectroscopy is the study of the interaction of an electromagnetic wave with matter and it is used globally to predict milk quality parameters on routinely acquired individual cow milk samples and bulk tank samples. Thus, exploiting infrared spectroscopy in next-generation phenotyping will ensure potentially rapid application globally with a negligible additional implementation cost as the infrastructure already exists. Fourier-transform infrared spectroscopy (FTIRS) analysis is already used to predict milk fat and protein concentrations, the ratio of which has been proposed as an indicator of energy balance. Milk FTIRS is also able to predict the concentration of various fatty acids in milk, the composition of which is known to change when body tissue is mobilized; that is, when the cow is in negative energy balance. Energy balance is mathematically very similar to residual energy intake (REI), a suggested measure of feed efficiency. Therefore, the prediction of energy intake, energy balance, and feed efficiency (i.e., REI) from milk FTIRS seems logical. In fact, the accuracy of predicting (i.e., correlation between predicted and actual values; root mean square error in parentheses) energy intake, energy balance, and REI from milk FTIRS in dairy cows was 0.88 (20.0MJ), 0.78 (18.6MJ), and 0.63 (22.0MJ), respectively, based on cross-validation. These studies, however, are limited to results from one research group based on data from 2 contrasting production systems in the United Kingdom and Ireland and would need to be replicated, especially in a range of production systems because the prediction equations are not accurate when the variability used in validation is not represented in the calibration data set. Heritable genetic variation exists for all predicted traits. Phenotypic differences in energy intake also exists among animals stratified based on genetic merit for energy intake predicted from milk FTIRS, substantiating the usefulness of such FTIR-predicted phenotypes not only for day-to-day herd management, but also as part of a breeding strategy to improve cow performance. Copyright © 2016 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

  6. Protein–protein docking by fast generalized Fourier transforms on 5D rotational manifolds

    PubMed Central

    Padhorny, Dzmitry; Kazennov, Andrey; Zerbe, Brandon S.; Porter, Kathryn A.; Xia, Bing; Mottarella, Scott E.; Kholodov, Yaroslav; Ritchie, David W.; Vajda, Sandor; Kozakov, Dima

    2016-01-01

    Energy evaluation using fast Fourier transforms (FFTs) enables sampling billions of putative complex structures and hence revolutionized rigid protein–protein docking. However, in current methods, efficient acceleration is achieved only in either the translational or the rotational subspace. Developing an efficient and accurate docking method that expands FFT-based sampling to five rotational coordinates is an extensively studied but still unsolved problem. The algorithm presented here retains the accuracy of earlier methods but yields at least 10-fold speedup. The improvement is due to two innovations. First, the search space is treated as the product manifold SO(3)×(SO(3)∖S1), where SO(3) is the rotation group representing the space of the rotating ligand, and (SO(3)∖S1) is the space spanned by the two Euler angles that define the orientation of the vector from the center of the fixed receptor toward the center of the ligand. This representation enables the use of efficient FFT methods developed for SO(3). Second, we select the centers of highly populated clusters of docked structures, rather than the lowest energy conformations, as predictions of the complex, and hence there is no need for very high accuracy in energy evaluation. Therefore, it is sufficient to use a limited number of spherical basis functions in the Fourier space, which increases the efficiency of sampling while retaining the accuracy of docking results. A major advantage of the method is that, in contrast to classical approaches, increasing the number of correlation function terms is computationally inexpensive, which enables using complex energy functions for scoring. PMID:27412858

  7. Using Multistate Reweighting to Rapidly and Efficiently Explore Molecular Simulation Parameters Space for Nonbonded Interactions.

    PubMed

    Paliwal, Himanshu; Shirts, Michael R

    2013-11-12

    Multistate reweighting methods such as the multistate Bennett acceptance ratio (MBAR) can predict free energies and expectation values of thermodynamic observables at poorly sampled or unsampled thermodynamic states using simulations performed at only a few sampled states combined with single point energy reevaluations of these samples at the unsampled states. In this study, we demonstrate the power of this general reweighting formalism by exploring the effect of simulation parameters controlling Coulomb and Lennard-Jones cutoffs on free energy calculations and other observables. Using multistate reweighting, we can quickly identify, with very high sensitivity, the computationally least expensive nonbonded parameters required to obtain a specified accuracy in observables compared to the answer obtained using an expensive "gold standard" set of parameters. We specifically examine free energy estimates of three molecular transformations in a benchmark molecular set as well as the enthalpy of vaporization of TIP3P. The results demonstrates the power of this multistate reweighting approach for measuring changes in free energy differences or other estimators with respect to simulation or model parameters with very high precision and/or very low computational effort. The results also help to identify which simulation parameters affect free energy calculations and provide guidance to determine which simulation parameters are both appropriate and computationally efficient in general.

  8. Convergence and Efficiency of Adaptive Importance Sampling Techniques with Partial Biasing

    NASA Astrophysics Data System (ADS)

    Fort, G.; Jourdain, B.; Lelièvre, T.; Stoltz, G.

    2018-04-01

    We propose a new Monte Carlo method to efficiently sample a multimodal distribution (known up to a normalization constant). We consider a generalization of the discrete-time Self Healing Umbrella Sampling method, which can also be seen as a generalization of well-tempered metadynamics. The dynamics is based on an adaptive importance technique. The importance function relies on the weights (namely the relative probabilities) of disjoint sets which form a partition of the space. These weights are unknown but are learnt on the fly yielding an adaptive algorithm. In the context of computational statistical physics, the logarithm of these weights is, up to an additive constant, the free-energy, and the discrete valued function defining the partition is called the collective variable. The algorithm falls into the general class of Wang-Landau type methods, and is a generalization of the original Self Healing Umbrella Sampling method in two ways: (i) the updating strategy leads to a larger penalization strength of already visited sets in order to escape more quickly from metastable states, and (ii) the target distribution is biased using only a fraction of the free-energy, in order to increase the effective sample size and reduce the variance of importance sampling estimators. We prove the convergence of the algorithm and analyze numerically its efficiency on a toy example.

  9. Implementation of time-efficient adaptive sampling function design for improved undersampled MRI reconstruction

    NASA Astrophysics Data System (ADS)

    Choi, Jinhyeok; Kim, Hyeonjin

    2016-12-01

    To improve the efficacy of undersampled MRI, a method of designing adaptive sampling functions is proposed that is simple to implement on an MR scanner and yet effectively improves the performance of the sampling functions. An approximation of the energy distribution of an image (E-map) is estimated from highly undersampled k-space data acquired in a prescan and efficiently recycled in the main scan. An adaptive probability density function (PDF) is generated by combining the E-map with a modeled PDF. A set of candidate sampling functions are then prepared from the adaptive PDF, among which the one with maximum energy is selected as the final sampling function. To validate its computational efficiency, the proposed method was implemented on an MR scanner, and its robust performance in Fourier-transform (FT) MRI and compressed sensing (CS) MRI was tested by simulations and in a cherry tomato. The proposed method consistently outperforms the conventional modeled PDF approach for undersampling ratios of 0.2 or higher in both FT-MRI and CS-MRI. To fully benefit from undersampled MRI, it is preferable that the design of adaptive sampling functions be performed online immediately before the main scan. In this way, the proposed method may further improve the efficacy of the undersampled MRI.

  10. Measurements of induced radioactivity in some LDEF samples

    NASA Technical Reports Server (NTRS)

    Moss, C. E.; Reedy, R. C.

    1992-01-01

    Twenty-six stainless steel trunnion samples, five aluminum end support retainer plate samples, two aluminum keel plate samples, and two titanium clips were analyzed. The shielded high purity germanium detectors used had efficiencies of 33, 54, and 80 percent at 1332 keV. Detector efficiencies as a function of energy and corrections for self-absorption in the samples were determined with calibrated sources and unactivated control samples. Several measurements were made on most samples. In the trunnion samples, Mn-54 and Co-57 were seen and limits were obtained for other isotopes. The results agree well with 1-D activation calculations for an anisotropic trapped proton model. In the aluminum and titanium samples, Na-22 was detected. Other results are presented.

  11. Measurements of induced radioactivity in some LDEF samples

    NASA Technical Reports Server (NTRS)

    Moss, C. E.; Reedy, R. C.

    1991-01-01

    Twenty-six stainless steel trunnion samples, five aluminum end support retainer plate samples, two aluminum keel plate samples, and two titanium clips were analyzed. The shielded high purity germanium detectors used had efficiencies of 33, 54, and 80 pcts. at 1332 keV. Detector efficiencies as a function of energy and corrections for self absorption in the samples were determined with calibrated sources, unactivated control samples, and calculations. Several measurements were made on most samples. In the trunnion samples, Mn-54 and Co-57 were seen and limits were obtained for other isotopes. The results agree well with 1-D activation calculations for an anisotropic trapped proton model. In the aluminum samples, Na-22 and Be-7 were seen. Other results are presented.

  12. Phased Retrofits in Existing Homes in Florida Phase I: Shallow and Deep Retrofits

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

    D. Parker; Sutherland, K.; Chasar, D.

    2016-02-01

    The U.S. Department of Energy (DOE) Building America program, in collaboration with Florida Power and Light (FPL), conducted a phased residential energy-efficiency retrofit program. This research sought to establish impacts on annual energy and peak energy reductions from the technologies applied at two levels of retrofit - shallow and deep, with savings levels approaching the Building America program goals of reducing whole-house energy use by 40%. Under the Phased Deep Retrofit (PDR) project, we have installed phased, energy-efficiency retrofits in a sample of 56 existing, all-electric homes. End-use savings and economic evaluation results from the phased measure packages and singlemore » measures are summarized in this report.« less

  13. Enhanced sampling simulations to construct free-energy landscape of protein-partner substrate interaction.

    PubMed

    Ikebe, Jinzen; Umezawa, Koji; Higo, Junichi

    2016-03-01

    Molecular dynamics (MD) simulations using all-atom and explicit solvent models provide valuable information on the detailed behavior of protein-partner substrate binding at the atomic level. As the power of computational resources increase, MD simulations are being used more widely and easily. However, it is still difficult to investigate the thermodynamic properties of protein-partner substrate binding and protein folding with conventional MD simulations. Enhanced sampling methods have been developed to sample conformations that reflect equilibrium conditions in a more efficient manner than conventional MD simulations, thereby allowing the construction of accurate free-energy landscapes. In this review, we discuss these enhanced sampling methods using a series of case-by-case examples. In particular, we review enhanced sampling methods conforming to trivial trajectory parallelization, virtual-system coupled multicanonical MD, and adaptive lambda square dynamics. These methods have been recently developed based on the existing method of multicanonical MD simulation. Their applications are reviewed with an emphasis on describing their practical implementation. In our concluding remarks we explore extensions of the enhanced sampling methods that may allow for even more efficient sampling.

  14. Optimal Time-Resource Allocation for Energy-Efficient Physical Activity Detection

    PubMed Central

    Thatte, Gautam; Li, Ming; Lee, Sangwon; Emken, B. Adar; Annavaram, Murali; Narayanan, Shrikanth; Spruijt-Metz, Donna; Mitra, Urbashi

    2011-01-01

    The optimal allocation of samples for physical activity detection in a wireless body area network for health-monitoring is considered. The number of biometric samples collected at the mobile device fusion center, from both device-internal and external Bluetooth heterogeneous sensors, is optimized to minimize the transmission power for a fixed number of samples, and to meet a performance requirement defined using the probability of misclassification between multiple hypotheses. A filter-based feature selection method determines an optimal feature set for classification, and a correlated Gaussian model is considered. Using experimental data from overweight adolescent subjects, it is found that allocating a greater proportion of samples to sensors which better discriminate between certain activity levels can result in either a lower probability of error or energy-savings ranging from 18% to 22%, in comparison to equal allocation of samples. The current activity of the subjects and the performance requirements do not significantly affect the optimal allocation, but employing personalized models results in improved energy-efficiency. As the number of samples is an integer, an exhaustive search to determine the optimal allocation is typical, but computationally expensive. To this end, an alternate, continuous-valued vector optimization is derived which yields approximately optimal allocations and can be implemented on the mobile fusion center due to its significantly lower complexity. PMID:21796237

  15. A new method for evaluating radon and thoron alpha-activities per unit volume inside and outside various natural material samples by calculating SSNTD detection efficiencies for the emitted alpha-particles and measuring the resulting track densities.

    PubMed

    Misdaq, M A; Aitnouh, F; Khajmi, H; Ezzahery, H; Berrazzouk, S

    2001-08-01

    A Monte Carlo computer code for determining detection efficiencies of the CR-39 and LR-115 II solid-state nuclear track detectors (SSNTD) for alpha-particles emitted by the uranium and thorium series inside different natural material samples was developed. The influence of the alpha-particle initial energy on the SSNTD detection efficiencies was investigated. Radon (222Rn) and thoron (220Rn) alpha-activities per unit volume were evaluated inside and outside the natural material samples by exploiting data obtained for the detection efficiencies of the SSNTD utilized for the emitted alpha-particles, and measuring the resulting track densities. Results obtained were compared to those obtained by other methods. Radon emanation coefficients have been determined for some of the considered material samples.

  16. Generalized essential energy space random walks to more effectively accelerate solute sampling in aqueous environment

    NASA Astrophysics Data System (ADS)

    Lv, Chao; Zheng, Lianqing; Yang, Wei

    2012-01-01

    Molecular dynamics sampling can be enhanced via the promoting of potential energy fluctuations, for instance, based on a Hamiltonian modified with the addition of a potential-energy-dependent biasing term. To overcome the diffusion sampling issue, which reveals the fact that enlargement of event-irrelevant energy fluctuations may abolish sampling efficiency, the essential energy space random walk (EESRW) approach was proposed earlier. To more effectively accelerate the sampling of solute conformations in aqueous environment, in the current work, we generalized the EESRW method to a two-dimension-EESRW (2D-EESRW) strategy. Specifically, the essential internal energy component of a focused region and the essential interaction energy component between the focused region and the environmental region are employed to define the two-dimensional essential energy space. This proposal is motivated by the general observation that in different conformational events, the two essential energy components have distinctive interplays. Model studies on the alanine dipeptide and the aspartate-arginine peptide demonstrate sampling improvement over the original one-dimension-EESRW strategy; with the same biasing level, the present generalization allows more effective acceleration of the sampling of conformational transitions in aqueous solution. The 2D-EESRW generalization is readily extended to higher dimension schemes and employed in more advanced enhanced-sampling schemes, such as the recent orthogonal space random walk method.

  17. How Does EIA Estimate Energy Consumption and End Uses in U.S. Homes?

    EIA Publications

    2011-01-01

    The Energy Information Administration (EIA) administers the Residential Energy Consumption Survey (RECS) to a nationally representative sample of housing units. Specially trained interviewers collect energy characteristics on the housing unit, usage patterns, and household demographics. This information is combined with data from energy suppliers to these homes to estimate energy costs and usage for heating, cooling, appliances and other end uses information critical to meeting future energy demand and improving efficiency and building design.

  18. Free Energy Calculations using a Swarm-Enhanced Sampling Molecular Dynamics Approach.

    PubMed

    Burusco, Kepa K; Bruce, Neil J; Alibay, Irfan; Bryce, Richard A

    2015-10-26

    Free energy simulations are an established computational tool in modelling chemical change in the condensed phase. However, sampling of kinetically distinct substates remains a challenge to these approaches. As a route to addressing this, we link the methods of thermodynamic integration (TI) and swarm-enhanced sampling molecular dynamics (sesMD), where simulation replicas interact cooperatively to aid transitions over energy barriers. We illustrate the approach by using alchemical alkane transformations in solution, comparing them with the multiple independent trajectory TI (IT-TI) method. Free energy changes for transitions computed by using IT-TI grew increasingly inaccurate as the intramolecular barrier was heightened. By contrast, swarm-enhanced sampling TI (sesTI) calculations showed clear improvements in sampling efficiency, leading to more accurate computed free energy differences, even in the case of the highest barrier height. The sesTI approach, therefore, has potential in addressing chemical change in systems where conformations exist in slow exchange. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Implementation study of wearable sensors for activity recognition systems.

    PubMed

    Rezaie, Hamed; Ghassemian, Mona

    2015-08-01

    This Letter investigates and reports on a number of activity recognition methods for a wearable sensor system. The authors apply three methods for data transmission, namely 'stream-based', 'feature-based' and 'threshold-based' scenarios to study the accuracy against energy efficiency of transmission and processing power that affects the mote's battery lifetime. They also report on the impact of variation of sampling frequency and data transmission rate on energy consumption of motes for each method. This study leads us to propose a cross-layer optimisation of an activity recognition system for provisioning acceptable levels of accuracy and energy efficiency.

  20. Evaluation of the "Lose Your Excuse" Public Service Advertising Campaign for Tweens to Save Energy

    ERIC Educational Resources Information Center

    Bertrand, Jane T.; Goldman, Patty; Zhivan, Natalia; Agyeman, Yaw; Barber, Erin

    2011-01-01

    This study evaluates the 2008-2009 "Lose your Excuse" public service advertising (PSA) campaign on energy efficiency targeting 8- to 12-year-olds, intended to increase knowledge, foster proactive attitudes, and change energy usage behaviors. Baseline and two follow-up surveys were conducted with online samples representative of the national…

  1. Fragmentation efficiency of explosive volcanic eruptions: A study of experimentally generated pyroclasts

    NASA Astrophysics Data System (ADS)

    Kueppers, Ulrich; Scheu, Bettina; Spieler, Oliver; Dingwell, Donald B.

    2006-05-01

    Products of magma fragmentation can pose a severe threat to health, infrastructure, environment, and aviation. Systematic evaluation of the mechanisms and the consequences of volcanic fragmentation is very difficult as the adjacent processes cannot be observed directly and their deposits undergo transport-related sorting. However, enhanced knowledge is required for hazard assessment and risk mitigation. Laboratory experiments on natural samples allow the precise characterization of the generated pyroclasts and open the possibility for substantial advances in the quantification of fragmentation processes. They hold the promise of precise characterization and quantification of fragmentation efficiency and its dependence on changing material properties and the physical conditions at fragmentation. We performed a series of rapid decompression experiments on three sets of natural samples from Unzen volcano, Japan. The analysis comprised grain-size analysis and surface area measurements. The grain-size analysis is performed by dry sieving for particles larger than 250 μm and wet laser refraction for smaller particles. For all three sets of samples, the grain-size of the most abundant fraction decreases and the weight fraction of newly generated ash particles (up to 40 wt.%) increases with experimental pressure/potential energy for fragmentation. This energy can be estimated from the volume of the gas fraction and the applied pressure. The surface area was determined through Argon adsorption. The fragmentation efficiency is described by the degree of fine-particle generation. Results show that the fragmentation efficiency and the generated surface correlate positively with the applied energy.

  2. Evaluation on the Efficiency of Biomass Power Generation Industry in China

    PubMed Central

    Sun, Dong; Guo, Sen

    2014-01-01

    As a developing country with large population, China is facing the problems of energy resource shortage and growing environmental pollution arising from the coal-dominated energy structure. Biomass energy, as a kind of renewable energy with the characteristics of being easy to store and friendly to environment, has become the focus of China's energy development in the future. Affected by the advanced power generation technology and diversified geography environment, the biomass power generation projects show new features in recent years. Hence, it is necessary to evaluate the efficiency of biomass power generation industry by employing proper method with the consideration of new features. In this paper, the regional difference as a new feature of biomass power generation industry is taken into consideration, and the AR model is employed to modify the zero-weight issue when using data envelopment analysis (DEA) method to evaluate the efficiency of biomass power generation industry. 30 biomass power generation enterprises in China are selected as the sample, and the efficiency evaluation is performed. The result can provide some insights into the sustainable development of biomass power generation industry in China. PMID:25093209

  3. A general theory of evolution based on energy efficiency: its implications for diseases.

    PubMed

    Yun, Anthony J; Lee, Patrick Y; Doux, John D; Conley, Buford R

    2006-01-01

    We propose a general theory of evolution based on energy efficiency. Life represents an emergent property of energy. The earth receives energy from cosmic sources such as the sun. Biologic life can be characterized by the conversion of available energy into complex systems. Direct energy converters such as photosynthetic microorganisms and plants transform light energy into high-energy phosphate bonds that fuel biochemical work. Indirect converters such as herbivores and carnivores predominantly feed off the food chain supplied by these direct converters. Improving energy efficiency confers competitive advantage in the contest among organisms for energy. We introduce a term, return on energy (ROE), as a measure of energy efficiency. We define ROE as a ratio of the amount of energy acquired by a system to the amount of energy consumed to generate that gain. Life-death cycling represents a tactic to sample the environment for innovations that allow increases in ROE to develop over generations rather than an individual lifespan. However, the variation-selection strategem of Darwinian evolution may define a particular tactic rather than an overarching biological paradigm. A theory of evolution based on competition for energy and driven by improvements in ROE both encompasses prior notions of evolution and portends post-Darwinian mechanisms. Such processes may involve the exchange of non-genetic traits that improve ROE, as exemplified by cognitive adaptations or memes. Under these circumstances, indefinite persistence may become favored over life-death cycling, as increases in ROE may then occur more efficiently within a single lifespan rather than over multiple generations. The key to this transition may involve novel methods to address the promotion of health and cognitive plasticity. We describe the implications of this theory for human diseases.

  4. Single-Nanoflake Photo-Electrochemistry Reveals Champion and Spectator Flakes in Exfoliated MoSe 2 Films

    DOE PAGES

    Todt, Michael A.; Isenberg, Allan E.; Nanayakkara, Sanjini U.; ...

    2018-03-06

    Semiconducting transition-metal dichalcogenide (TMD) nanoflake thin films are promising large-area electrodes for photo-electrochemical solar energy conversion applications. However, their energy conversion efficiencies are typically much lower than those of bulk electrodes. It is unclear to what extent this efficiency gap stems from differences among nanoflakes (e.g., area, thickness, and surface structural features). It is also unclear whether individual exfoliated nanoflakes can achieve energy conversion efficiencies similar to those of bulk crystals. Here, we use a single-nanoflake photo-electrochemical approach to show that there are both highly active and completely inactive nanoflakes within a film. For the exfoliated MoSe 2 samples studiedmore » herein, 7% of nanoflakes are highly active champions, whose photocurrent efficiency exceeds that of the bulk crystal. However, 66% of nanoflakes are inactive spectators, which are mostly responsible for the overall lower photocurrent efficiency compared to the bulk crystal. The photocurrent collection efficiency increases with nanoflake area and decreases more at perimeter edges than at interior step edges. These observations, which are hidden in ensemble-level measurements, reveal the underlying performance issues of exfoliated TMD electrodes for photo-electrochemical energy conversion applications.« less

  5. Energy and exergy analysis of cookstove by using Cedrus deodara (deodar wood) and saccharum officinarum (sugar cane) waste

    NASA Astrophysics Data System (ADS)

    Chouhan, A. P. Singh; Yaseen, S.; Pruthi, A.

    2017-07-01

    Deodar (Cedrus deodara) wood collected from the Kashmir region in India. This study is focused on energy and exergy analysis of cook stove by using deodar wood, demand of a cookstove is higher in rural areas. In ancient time U-shaped and three stone cook stove was used, but they emitted greenhouse gases CO and CO2 in the environment and these toxic emissions are also dangerous for human being and the environment. Sampada model cook stove used for the analysis of energy an exergy by using water boiling test with using deodar wood and bagasse samples and a mixture of wood and bagasse also used. Wood and bagasse characterized for the ultimate, proximate, calorific value before the water boiling test of the cookstove. Results carried out that the efficiency of cook stove with deodar wood was 33.33 % and exergy calculated 2.1 % and energy efficiency and energy efficiency by using bagasse were 23.23 % and 0.43 %, respectively, and wood and bagasse mixture ratio given energy and exergy efficiencies for ratios 75:25 is the best ratio of energy production. These results indicated that deodar wood is more stable because thermal stability of wood is greater than bagasse. Deodar is a suitable source for the combustion purposes of higher energy production.

  6. Energy landscape paving simulations of the trp-cage protein.

    PubMed

    Schug, Alexander; Wenzel, Wolfgang; Hansmann, Ulrich H E

    2005-05-15

    We evaluate the efficiency of multiple variants of energy landscape paving in all-atom simulations of the trp-cage protein using a recently developed new force field. Especially, we introduce a temperature-free variant of the method and demonstrate that it allows a fast scanning of the energy landscape. Nativelike structures are found in less time than by other techniques. The sampled low-energy configurations indicate a funnel-like energy landscape.

  7. Luminous Efficiency of Hypervelocity Meteoroid Impacts on the Moon Derived from the 2015 Geminid Meteor Shower

    NASA Technical Reports Server (NTRS)

    Moser, D. E.; Suggs, R. M.; Ehlert, S. R.

    2017-01-01

    Meteoroids cannot be observed directly because of their small size. In-situ measurements of the meteoroid environment are rare and have very small collecting areas. The Moon, in contrast, has a large collecting area and therefore can be used as a large meteoroid detector for gram-kilogram sized particles. Meteoroids striking the Moon create an impact flash observable by Earth-based telescopes. Their kinetic energy is converted to luminous energy with some unknown luminous efficiency ?(v), which is likely a function of meteoroid velocity (among other factors). This luminous efficiency is imperative to calculating the kinetic energy and mass of the meteoroid, as well as meteoroid fluxes, and it cannot be determined in the laboratory at meteoroid speeds and sizes due to mechanical constraints. Since laboratory simulations fail to resolve the luminous efficiency problem, observations of the impact flash itself must be utilized. Meteoroids associated with specific meteor showers have known speed and direction, which simplifies the determination of the luminous efficiency. NASA has routinely monitored the Moon for impact flashes since early 2006 [1]. During this time, several meteor showers have produced multiple impact flashes on the Moon, yielding a sufficient sample of impact flashes with which to perform a luminous efficiency analysis similar to that outlined in Bellot Rubio et al. [2, 3] and further described by Moser et al. [4], utilizing Earth-based measurements of the shower flux and mass index. The Geminid meteor shower has produced the most impact flashes in the NASA dataset to date with over 80 detections. More than half of these Geminids were recorded in 2015 (locations pictured in Fig. 1), and may represent the largest single-shower impact flash sample known. This work analyzes the 2015 Geminid lunar impacts and calculates their luminous efficiency. The luminous efficiency is then applied to calculate the kinetic energies and mass-es of these shower meteoroids.

  8. Research on the ultrafast fluorescence property of thylakoid membranes of the wild-type and mutant rice

    NASA Astrophysics Data System (ADS)

    Ren, Zhao-Yu; Xu, Xiao-Ming; Wang, Shui-Cai; Xin, Yue-Yong; He, Jun-Fang; Hou, Xun

    2003-10-01

    A high yielding rice variety mutant (Oryza sativa L., Zhenhui 249) with low chlorophyll b (Chl b) has been discovered in natural fields. It has a quality character controlled by a pair of recessive genes (nuclear gene). The partial loss of Chl b in content affects the efficiency of light harvest in a light harvest complex (LHC), thus producing the difference of the exciting energy transfer and the efficiency of photochemistry conversion between the mutant and wild-type rice in photosynthetic unit. The efficiency of utilizing light energy is higher in the mutant than that in the wild-type rice relatively. For further discussion of the above-mentioned difference and learning about the mechanism of the increase in the photochemical efficiency of the mutant, the pico-second resolution fluorescence spectrum measurement with delay-frame-scanning single photon counting technique is adopted. Thylakoid membranes of the mutant and the wild-type rice are excited by an Ar+ laser with a pulse width of 120 ps, repetition rate of 4 MHz and wavelength of 514 nm. Compared with the time and spectrum property of exciting fluorescence, conclusions of those ultrafast dynamic experiments are: 1) The speeds of the exciting energy transferred in photo-system I are faster than that in photo-system II in both samples. 2) The speeds of the exciting energy transfer of mutant sample are faster than those of the wild-type. This might be one of the major reasons why the efficiency of photosynthesis is higher in mutant than that in the wild-type rice.

  9. Preliminary Study of ZnS:Mn2+ Quantum Dots Response Under UV and X-Ray Irradiation

    NASA Astrophysics Data System (ADS)

    Saatsakis, G.; Valais, I.; Michail, C.; Fountzoula, C.; Fountos, G.; Koukou, V.; Martini, N.; Kalyvas, N.; Bakas, A.; Sianoudis, I.; Kandarakis, I.; Panayiotakis, G. S.

    2017-11-01

    Quantum Dots are semiconductor nanocrystals, with their optical properties controlled by their size, shape and material composition. The aim of the present study is to examine the scintillation properties of Manganese Doped Zinc Sulfide (ZnS:Mn 2+) Quantum Dot (QDs) nanocrystals under UV and X-ray irradiation. ZnS:Mn 2+ Quantum Dots, with typical diameter of ZnS dots of 13-20nm (also called scintillation QDs, stQDs), were developed and acquired by Mesolight Inc. The initial stQD sample was a solution of 75mg of ZnS:Mn 2+ dissolved in 100μL of Toluene, having a concentration of 75% w/v. Emission characteristics under UV and X-Ray excitation were examined. Two ultraviolet sources were incorporated (315 nm and 365 nm) as well as a medical X-ray tube with tube voltage from 50 to 130 kVp. Parameters such as Energy Quantum Efficiency under UV excitation and Luminescence Efficiency-LE (light energy flux over exposure rate) under X-ray excitation were examined. Luminescence Efficiency (LE) of ZnS:Mn 2+ was higher than that exhibited by previously examined QDs, (ZnCdSeS:ZnS and ZnCuInS:ZnS). The ability of ZnS:Mn 2+ to transform UV photons energy into optical photons energy, tends to increase while the incident UV wavelength decreases. Energy Quantum Efficiency of the sample exhibited a 6% increase when exposed to 315nm UV light compared to 365 nm. The emission spectrum of the stQDs, exhibited a narrow peak (~585nm) in the yellow range.

  10. Efficient quantum-classical method for computing thermal rate constant of recombination: application to ozone formation.

    PubMed

    Ivanov, Mikhail V; Babikov, Dmitri

    2012-05-14

    Efficient method is proposed for computing thermal rate constant of recombination reaction that proceeds according to the energy transfer mechanism, when an energized molecule is formed from reactants first, and is stabilized later by collision with quencher. The mixed quantum-classical theory for the collisional energy transfer and the ro-vibrational energy flow [M. Ivanov and D. Babikov, J. Chem. Phys. 134, 144107 (2011)] is employed to treat the dynamics of molecule + quencher collision. Efficiency is achieved by sampling simultaneously (i) the thermal collision energy, (ii) the impact parameter, and (iii) the incident direction of quencher, as well as (iv) the rotational state of energized molecule. This approach is applied to calculate third-order rate constant of the recombination reaction that forms the (16)O(18)O(16)O isotopomer of ozone. Comparison of the predicted rate vs. experimental result is presented.

  11. Structure optimisation by thermal cycling for the hydrophobic-polar lattice model of protein folding

    NASA Astrophysics Data System (ADS)

    Günther, Florian; Möbius, Arnulf; Schreiber, Michael

    2017-03-01

    The function of a protein depends strongly on its spatial structure. Therefore the transition from an unfolded stage to the functional fold is one of the most important problems in computational molecular biology. Since the corresponding free energy landscapes exhibit huge numbers of local minima, the search for the lowest-energy configurations is very demanding. Because of that, efficient heuristic algorithms are of high value. In the present work, we investigate whether and how the thermal cycling (TC) approach can be applied to the hydrophobic-polar (HP) lattice model of protein folding. Evaluating the efficiency of TC for a set of two- and three-dimensional examples, we compare the performance of this strategy with that of multi-start local search (MSLS) procedures and that of simulated annealing (SA). For this aim, we incorporated several simple but rather efficient modifications into the standard procedures: in particular, a strong improvement was achieved by also allowing energy conserving state modifications. Furthermore, the consideration of ensembles instead of single samples was found to greatly improve the efficiency of TC. In the framework of different benchmarks, for all considered HP sequences, we found TC to be far superior to SA, and to be faster than Wang-Landau sampling.

  12. Parallel cascade selection molecular dynamics for efficient conformational sampling and free energy calculation of proteins

    NASA Astrophysics Data System (ADS)

    Kitao, Akio; Harada, Ryuhei; Nishihara, Yasutaka; Tran, Duy Phuoc

    2016-12-01

    Parallel Cascade Selection Molecular Dynamics (PaCS-MD) was proposed as an efficient conformational sampling method to investigate conformational transition pathway of proteins. In PaCS-MD, cycles of (i) selection of initial structures for multiple independent MD simulations and (ii) conformational sampling by independent MD simulations are repeated until the convergence of the sampling. The selection is conducted so that protein conformation gradually approaches a target. The selection of snapshots is a key to enhance conformational changes by increasing the probability of rare event occurrence. Since the procedure of PaCS-MD is simple, no modification of MD programs is required; the selections of initial structures and the restart of the next cycle in the MD simulations can be handled with relatively simple scripts with straightforward implementation. Trajectories generated by PaCS-MD were further analyzed by the Markov state model (MSM), which enables calculation of free energy landscape. The combination of PaCS-MD and MSM is reported in this work.

  13. An efficient ionoluminescence analysis of turquoise gemstone as a weakly luminescent mineral.

    PubMed

    Nikbakht, T; Kakuee, O; Lamehi-Rachti, M

    2017-05-15

    The unique ionization pattern of MeV-energy ion beam is applied for efficient luminescence analysis of a collection of natural turquoise samples. The considerable penetration depth of tens of micrometer and enhancement of energy deposition with depth, suggests ionoluminescence as an appropriate technique for studying weakly luminescent minerals. Herein, the luminescence induced in deeper parts of turquoise samples is extracted through their relatively transparent adjacent host stones. The resulting intense spectra reveal the vibrational structure of the broad green luminescence band of turquoise which probably originates from O 2 - centers. Moreover, owing to the applied ionoluminescence approach, red and blue luminescence bands of turquoise were observed which can be ascribed to Fe 3+ ions and UO 2 2+ centers respectively. The elemental information of the samples is provided using micro-PIXE analysis technique. Copyright © 2017 Elsevier B.V. All rights reserved.

  14. Energy metabolic state in hypothermically stored boar spermatozoa using a revised protocol for efficient ATP extraction.

    PubMed

    Nguyen, Quynh Thu; Wallner, Ulrike; Schmicke, Marion; Waberski, Dagmar; Henning, Heiko

    2016-11-15

    Mammalian spermatozoa utilize ATP as the energy source for key functions on the route to fertilization. ATP and its precursor nucleotides ADP and AMP are regularly investigated in sperm physiology studies, mostly by bioluminescence assays. Assay results vary widely, mainly due to different efficiencies in nucleotide extraction and prevention of their enzymatic degradation. Here, we describe a revised, validated protocol for efficient phosphatase inhibition and adenine nucleotide extraction resulting in consistently high ATP concentrations exceeding previously reported values for boar spermatozoa up to 20-fold. The revised assay is applicable for determining ATP concentrations and adenylate energy charge in extracts from fresh and frozen samples, thereby allowing simultaneous assessment of semen samples from long-term storage experiments. After validation, the assay was applied to liquid-preserved boar spermatozoa stored at 17°C and 5°C for 24 and 72 h. Cooling to 5°C, but not storage duration, reduced ATP concentration in spermatozoa (P<0.05), which was accompanied by the appearance of AMP and ADP in the preservation medium. ATP and energy charge were highly correlated to the proportion of membrane-intact spermatozoa, supporting the idea of nucleotides leaking through disrupted membranes in cold-shocked cells. The present assay allows highly standardized studies of energy metabolism in spermatozoa. © 2016. Published by The Company of Biologists Ltd.

  15. Energy metabolic state in hypothermically stored boar spermatozoa using a revised protocol for efficient ATP extraction

    PubMed Central

    Nguyen, Quynh Thu; Wallner, Ulrike; Schmicke, Marion; Waberski, Dagmar

    2016-01-01

    ABSTRACT Mammalian spermatozoa utilize ATP as the energy source for key functions on the route to fertilization. ATP and its precursor nucleotides ADP and AMP are regularly investigated in sperm physiology studies, mostly by bioluminescence assays. Assay results vary widely, mainly due to different efficiencies in nucleotide extraction and prevention of their enzymatic degradation. Here, we describe a revised, validated protocol for efficient phosphatase inhibition and adenine nucleotide extraction resulting in consistently high ATP concentrations exceeding previously reported values for boar spermatozoa up to 20-fold. The revised assay is applicable for determining ATP concentrations and adenylate energy charge in extracts from fresh and frozen samples, thereby allowing simultaneous assessment of semen samples from long-term storage experiments. After validation, the assay was applied to liquid-preserved boar spermatozoa stored at 17°C and 5°C for 24 and 72 h. Cooling to 5°C, but not storage duration, reduced ATP concentration in spermatozoa (P<0.05), which was accompanied by the appearance of AMP and ADP in the preservation medium. ATP and energy charge were highly correlated to the proportion of membrane-intact spermatozoa, supporting the idea of nucleotides leaking through disrupted membranes in cold-shocked cells. The present assay allows highly standardized studies of energy metabolism in spermatozoa. PMID:27612509

  16. Public perceptions of energy consumption and savings

    PubMed Central

    Attari, Shahzeen Z.; DeKay, Michael L.; Davidson, Cliff I.; Bruine de Bruin, Wändi

    2010-01-01

    In a national online survey, 505 participants reported their perceptions of energy consumption and savings for a variety of household, transportation, and recycling activities. When asked for the most effective strategy they could implement to conserve energy, most participants mentioned curtailment (e.g., turning off lights, driving less) rather than efficiency improvements (e.g., installing more efficient light bulbs and appliances), in contrast to experts’ recommendations. For a sample of 15 activities, participants underestimated energy use and savings by a factor of 2.8 on average, with small overestimates for low-energy activities and large underestimates for high-energy activities. Additional estimation and ranking tasks also yielded relatively flat functions for perceived energy use and savings. Across several tasks, participants with higher numeracy scores and stronger proenvironmental attitudes had more accurate perceptions. The serious deficiencies highlighted by these results suggest that well-designed efforts to improve the public's understanding of energy use and savings could pay large dividends. PMID:20713724

  17. High discharge efficiency of (Sr, Pb, Bi) TiO3 relaxor ceramics for energy-storage application

    NASA Astrophysics Data System (ADS)

    Chao, Mingming; Liu, Jingsong; Zeng, Mengshi; Wang, Debin; Yu, Hongtao; Yuan, Ying; Zhang, Shuren

    2018-05-01

    We report herein on the energy storage and discharge properties of the relaxor ferroelectric ceramic Sr0.8Pb0.1Bi0.1TiO3 (SPBT). This material has a slanted hysteresis loop, and all samples show low remnant polarization and low coercive field, which leads to a high discharge efficiency. The maximum polarization is 10.1 μC/cm2, the minimum coercive field is 0.229 kV/cm, and the maximum efficiency is 94.2%. The discharge current waveforms are sinusoidal, the first discharge period is 140 ns, and the power density is approximately 4.2 × 107 W/kg. The high discharge speed and high discharge power density indicate that SPBT ceramics are very promising materials for energy storage applications.

  18. Comparing Server Energy Use and Efficiency Using Small Sample Sizes

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

    Coles, Henry C.; Qin, Yong; Price, Phillip N.

    This report documents a demonstration that compared the energy consumption and efficiency of a limited sample size of server-type IT equipment from different manufacturers by measuring power at the server power supply power cords. The results are specific to the equipment and methods used. However, it is hoped that those responsible for IT equipment selection can used the methods described to choose models that optimize energy use efficiency. The demonstration was conducted in a data center at Lawrence Berkeley National Laboratory in Berkeley, California. It was performed with five servers of similar mechanical and electronic specifications; three from Intel andmore » one each from Dell and Supermicro. Server IT equipment is constructed using commodity components, server manufacturer-designed assemblies, and control systems. Server compute efficiency is constrained by the commodity component specifications and integration requirements. The design freedom, outside of the commodity component constraints, provides room for the manufacturer to offer a product with competitive efficiency that meets market needs at a compelling price. A goal of the demonstration was to compare and quantify the server efficiency for three different brands. The efficiency is defined as the average compute rate (computations per unit of time) divided by the average energy consumption rate. The research team used an industry standard benchmark software package to provide a repeatable software load to obtain the compute rate and provide a variety of power consumption levels. Energy use when the servers were in an idle state (not providing computing work) were also measured. At high server compute loads, all brands, using the same key components (processors and memory), had similar results; therefore, from these results, it could not be concluded that one brand is more efficient than the other brands. The test results show that the power consumption variability caused by the key components as a group is similar to all other components as a group. However, some differences were observed. The Supermicro server used 27 percent more power at idle compared to the other brands. The Intel server had a power supply control feature called cold redundancy, and the data suggest that cold redundancy can provide energy savings at low power levels. Test and evaluation methods that might be used by others having limited resources for IT equipment evaluation are explained in the report.« less

  19. Variational Approach to Enhanced Sampling and Free Energy Calculations

    NASA Astrophysics Data System (ADS)

    Valsson, Omar; Parrinello, Michele

    2014-08-01

    The ability of widely used sampling methods, such as molecular dynamics or Monte Carlo simulations, to explore complex free energy landscapes is severely hampered by the presence of kinetic bottlenecks. A large number of solutions have been proposed to alleviate this problem. Many are based on the introduction of a bias potential which is a function of a small number of collective variables. However constructing such a bias is not simple. Here we introduce a functional of the bias potential and an associated variational principle. The bias that minimizes the functional relates in a simple way to the free energy surface. This variational principle can be turned into a practical, efficient, and flexible sampling method. A number of numerical examples are presented which include the determination of a three-dimensional free energy surface. We argue that, beside being numerically advantageous, our variational approach provides a convenient and novel standpoint for looking at the sampling problem.

  20. Compositional investigation of ∼2 μm luminescence of Ho{sup 3+}-doped lead silicate glass

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

    Liu, Xueqiang; Huang, Feifei; Gao, Song

    2015-11-15

    Graphical abstract: Ho{sup 3+}-doped lead silicate glass with lowest maximum phonon energy possesses highest ∼2 μm luminescence intensity. - Highlights: • With increment of lead oxide, maximum phonon energy in lead silicate glass decreased. • ∼2 μm luminescent intensity of Ho{sup 3+} increased with increment of lead oxide. • Lowest lead oxide content glass possesses highest quantum efficiency due to low maximum phonon energy. - Abstract: Lead silicate glass samples with varying lead oxide content were prepared in this study, and their luminescent properties were examined and analyzed. It was found that with increasing lead oxide content, the maximum phononmore » energies of the glass samples decreased, while their spontaneous transition probabilities first increased and then decreased. The influence of the spontaneous transition rate, A{sub 10}, and the multi-phonon relaxation rate, W{sub 10}, on the sample luminescent properties was analyzed using rate equations. As a result, it was found that with increasing lead oxide content, W{sub 10}/A{sub 10} decreased, while the quantum efficiency increased. Thus, the luminescent intensity at ∼2 μm increased in the glass samples with increased lead oxide content. The high luminescent intensity and long lifetime indicate that silicate glasses containing high levels of lead oxide could potentially be used in ∼2 μm lasers.« less

  1. Implementation study of wearable sensors for activity recognition systems

    PubMed Central

    Ghassemian, Mona

    2015-01-01

    This Letter investigates and reports on a number of activity recognition methods for a wearable sensor system. The authors apply three methods for data transmission, namely ‘stream-based’, ‘feature-based’ and ‘threshold-based’ scenarios to study the accuracy against energy efficiency of transmission and processing power that affects the mote's battery lifetime. They also report on the impact of variation of sampling frequency and data transmission rate on energy consumption of motes for each method. This study leads us to propose a cross-layer optimisation of an activity recognition system for provisioning acceptable levels of accuracy and energy efficiency. PMID:26609413

  2. Using Wireless Power Meters to Measure Energy Use of Miscellaneous and Electronic Devices in Buildings

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

    UC Berkeley, Berkeley, CA USA; Brown, Richard; Lanzisera, Steven

    2011-05-24

    Miscellaneous and electronic devices consume about one-third of the primary energy used in U.S. buildings, and their energy use is increasing faster than other end-uses. Despite the success of policies, such as Energy Star, that promote more efficient miscellaneous and electronic products, much remains to be done to address the energy use of these devices if we are to achieve our energy and carbon reduction goals. Developing efficiency strategies for these products depends on better data about their actual usage, but very few studies have collected field data on the long-term energy used by a large sample of devices duemore » to the difficulty and expense of collecting device-level energy data. This paper describes the development of an improved method for collecting device-level energy and power data using small, relatively inexpensive wireless power meters. These meters form a mesh network based on Internet standard protocols and can form networks of hundreds of metering points in a single building. Because the meters are relatively inexpensive and do not require manual data downloading, they can be left in the field for months or years to collect long time-series energy use data. In addition to the metering technology, we also describe a field protocol used to collect comprehensive, robust data on the miscellaneous and electronic devices in a building. The paper presents sample results from several case study buildings, in which all the plug-in devices for several homes were metered, and a representative sample of several hundred plug-in devices in a commercial office building were metered for several months.« less

  3. Use of immunomagnetic separation for the detection of Desulfovibrio vulgaris from environmental samples

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

    Chakraborty, R.; Hazen, T.C.; Joyner, D.C.

    2011-04-15

    Immunomagnetic separation (IMS) has proved highly efficient for recovering microorganisms from heterogeneous samples. Current investigation targeted the separation of viable cells of the sulfate-reducing bacterium, Desulfovibrio vulgaris. Streptavidin-coupled paramagnetic beads and biotin labeled antibodies raised against surface antigens of this microorganism were used to capture D. vulgaris cells in both bioreactor grown laboratory samples and from extremely low-biomass environmental soil and subsurface drilling samples. Initial studies on detection, recovery efficiency and viability for IMS were performed with laboratory grown D. vulgaris cells using various cell densities. Efficiency of cell isolation and recovery (i.e., release of the microbial cells from themore » beads following separation) was followed by microscopic imaging and acridine orange direct counts (AODC). Excellent recovery efficiency encouraged the use of IMS to capture Desulfovibrio spp. cells from low-biomass environmental samples. The environmental samples were obtained from a radionuclide-contaminated site in Germany and the chromium (VI)-contaminated Hanford site, an ongoing bioremediation project of the U.S. Department of Energy. Field deployable IMS technology may greatly facilitate environmental sampling and bioremediation process monitoring and enable transcriptomics and proteomics/metabolomics-based studies directly on cells collected from the field.« less

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

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

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

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

  5. Efficient Conformational Sampling in Explicit Solvent Using a Hybrid Replica Exchange Molecular Dynamics Method

    DTIC Science & Technology

    2011-12-01

    REMD while reproducing the energy landscape of explicit solvent simulations . ’ INTRODUCTION Molecular dynamics (MD) simulations of proteins can pro...Mongan, J.; McCammon, J. A. Accelerated molecular dynamics : a promising and efficient simulation method for biomolecules. J. Chem. Phys. 2004, 120 (24...Chemical Theory and Computation ARTICLE (8) Abraham,M. J.; Gready, J. E. Ensuringmixing efficiency of replica- exchange molecular dynamics simulations . J

  6. Machine Learning of Accurate Energy-Conserving Molecular Force Fields

    NASA Astrophysics Data System (ADS)

    Chmiela, Stefan; Tkatchenko, Alexandre; Sauceda, Huziel; Poltavsky, Igor; Schütt, Kristof; Müller, Klaus-Robert; GDML Collaboration

    Efficient and accurate access to the Born-Oppenheimer potential energy surface (PES) is essential for long time scale molecular dynamics (MD) simulations. Using conservation of energy - a fundamental property of closed classical and quantum mechanical systems - we develop an efficient gradient-domain machine learning (GDML) approach to construct accurate molecular force fields using a restricted number of samples from ab initio MD trajectories (AIMD). The GDML implementation is able to reproduce global potential-energy surfaces of intermediate-size molecules with an accuracy of 0.3 kcal/mol for energies and 1 kcal/mol/Å for atomic forces using only 1000 conformational geometries for training. We demonstrate this accuracy for AIMD trajectories of molecules, including benzene, toluene, naphthalene, malonaldehyde, ethanol, uracil, and aspirin. The challenge of constructing conservative force fields is accomplished in our work by learning in a Hilbert space of vector-valued functions that obey the law of energy conservation. The GDML approach enables quantitative MD simulations for molecules at a fraction of cost of explicit AIMD calculations, thereby allowing the construction of efficient force fields with the accuracy and transferability of high-level ab initio methods.

  7. Enhanced Sampling in Free Energy Calculations: Combining SGLD with the Bennett's Acceptance Ratio and Enveloping Distribution Sampling Methods.

    PubMed

    König, Gerhard; Miller, Benjamin T; Boresch, Stefan; Wu, Xiongwu; Brooks, Bernard R

    2012-10-09

    One of the key requirements for the accurate calculation of free energy differences is proper sampling of conformational space. Especially in biological applications, molecular dynamics simulations are often confronted with rugged energy surfaces and high energy barriers, leading to insufficient sampling and, in turn, poor convergence of the free energy results. In this work, we address this problem by employing enhanced sampling methods. We explore the possibility of using self-guided Langevin dynamics (SGLD) to speed up the exploration process in free energy simulations. To obtain improved free energy differences from such simulations, it is necessary to account for the effects of the bias due to the guiding forces. We demonstrate how this can be accomplished for the Bennett's acceptance ratio (BAR) and the enveloping distribution sampling (EDS) methods. While BAR is considered among the most efficient methods available for free energy calculations, the EDS method developed by Christ and van Gunsteren is a promising development that reduces the computational costs of free energy calculations by simulating a single reference state. To evaluate the accuracy of both approaches in connection with enhanced sampling, EDS was implemented in CHARMM. For testing, we employ benchmark systems with analytical reference results and the mutation of alanine to serine. We find that SGLD with reweighting can provide accurate results for BAR and EDS where conventional molecular dynamics simulations fail. In addition, we compare the performance of EDS with other free energy methods. We briefly discuss the implications of our results and provide practical guidelines for conducting free energy simulations with SGLD.

  8. Exploring the free energy surface using ab initio molecular dynamics

    DOE PAGES

    Samanta, Amit; Morales, Miguel A.; Schwegler, Eric

    2016-04-22

    Efficient exploration of the configuration space and identification of metastable structures are challenging from both computational as well as algorithmic perspectives. Here, we extend the recently proposed orderparameter aided temperature accelerated sampling schemes to efficiently and systematically explore free energy surfaces, and search for metastable states and reaction pathways within the framework of density functional theory based molecular dynamics. The sampling method is applied to explore the relevant parts of the configuration space in prototypical materials SiO 2 and Ti to identify the different metastable structures corresponding to different phases in these materials. In addition, we use the string methodmore » in collective variables to study the melting pathways in the high pressure cotunnite phase of SiO 2 and the hcp to fcc phase transition in Ti.« less

  9. New rules of thumb maximizing energy efficiency in street lighting with discharge lamps: The general equations for lighting design

    NASA Astrophysics Data System (ADS)

    Peña-García, A.; Gómez-Lorente, D.; Espín, A.; Rabaza, O.

    2016-06-01

    New relationships between energy efficiency, illuminance uniformity, spacing and mounting height in public lighting installations were derived from the analysis of a large sample of outputs generated with a widely used software application for lighting design. These new relationships greatly facilitate the calculation of basic lighting installation parameters. The results obtained are also based on maximal energy efficiency and illuminance uniformity as a premise, which are not included in more conventional methods. However, these factors are crucial since they ensure the sustainability of the installations. This research formulated, applied and analysed these new equations. The results of this study highlight their usefulness in rapid planning and urban planning in developing countries or areas affected by natural disasters where engineering facilities and computer applications for this purpose are often unavailable.

  10. Coulomb replica-exchange method: handling electrostatic attractive and repulsive forces for biomolecules.

    PubMed

    Itoh, Satoru G; Okumura, Hisashi

    2013-03-30

    We propose a new type of the Hamiltonian replica-exchange method (REM) for molecular dynamics (MD) and Monte Carlo simulations, which we refer to as the Coulomb REM (CREM). In this method, electrostatic charge parameters in the Coulomb interactions are exchanged among replicas while temperatures are exchanged in the usual REM. By varying the atom charges, the CREM overcomes free-energy barriers and realizes more efficient sampling in the conformational space than the REM. Furthermore, this method requires only a smaller number of replicas because only the atom charges of solute molecules are used as exchanged parameters. We performed Coulomb replica-exchange MD simulations of an alanine dipeptide in explicit water solvent and compared the results with those of the conventional canonical, replica exchange, and van der Waals REMs. Two force fields of AMBER parm99 and AMBER parm99SB were used. As a result, the CREM sampled all local-minimum free-energy states more frequently than the other methods for both force fields. Moreover, the Coulomb, van der Waals, and usual REMs were applied to a fragment of an amyloid-β peptide (Aβ) in explicit water solvent to compare the sampling efficiency of these methods for a larger system. The CREM sampled structures of the Aβ fragment more efficiently than the other methods. We obtained β-helix, α-helix, 3(10)-helix, β-hairpin, and β-sheet structures as stable structures and deduced pathways of conformational transitions among these structures from a free-energy landscape. Copyright © 2012 Wiley Periodicals, Inc.

  11. Free energy simulations with the AMOEBA polarizable force field and metadynamics on GPU platform.

    PubMed

    Peng, Xiangda; Zhang, Yuebin; Chu, Huiying; Li, Guohui

    2016-03-05

    The free energy calculation library PLUMED has been incorporated into the OpenMM simulation toolkit, with the purpose to perform enhanced sampling MD simulations using the AMOEBA polarizable force field on GPU platform. Two examples, (I) the free energy profile of water pair separation (II) alanine dipeptide dihedral angle free energy surface in explicit solvent, are provided here to demonstrate the accuracy and efficiency of our implementation. The converged free energy profiles could be obtained within an affordable MD simulation time when the AMOEBA polarizable force field is employed. Moreover, the free energy surfaces estimated using the AMOEBA polarizable force field are in agreement with those calculated from experimental data and ab initio methods. Hence, the implementation in this work is reliable and would be utilized to study more complicated biological phenomena in both an accurate and efficient way. © 2015 Wiley Periodicals, Inc. © 2015 Wiley Periodicals, Inc.

  12. Energy intensity modeling for wastewater treatment technologies.

    PubMed

    Molinos-Senante, María; Sala-Garrido, Ramón; Iftimi, Adina

    2018-07-15

    Wastewater treatment plants (WWTPs) are energy intensive facilities; therefore increased pressure has been placed on managers and policy makers to reduce the facilities' energy use. Several studies were conducted to compare the energy intensity (EI) of WWTPs, which showed large dispersion in EI among the facilities. In the present study, the degree EI influenced WWTPs was tested using a set of technical variables by modeling the EI of a 305 WWTP sample grouped into five secondary treatment technologies. Results indicated the following two major findings: i) WWTPs using conventional activated sludge, extended aeration, trickling biofilters, and biodisks exhibited significant economies of scale in energy use; and ii) pollutant removal efficiency demonstrated low impacts on WWTP EI. The methodology and results of this study are of value to policy makers in planning new WWTPs and developing management plans to improve energy efficiency of wastewater treatment. Copyright © 2018. Published by Elsevier B.V.

  13. IMPROVING TACONITE PROCESSING PLANT EFFICIENCY BY COMPUTER SIMULATION, Final Report

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

    William M. Bond; Salih Ersayin

    2007-03-30

    This project involved industrial scale testing of a mineral processing simulator to improve the efficiency of a taconite processing plant, namely the Minorca mine. The Concentrator Modeling Center at the Coleraine Minerals Research Laboratory, University of Minnesota Duluth, enhanced the capabilities of available software, Usim Pac, by developing mathematical models needed for accurate simulation of taconite plants. This project provided funding for this technology to prove itself in the industrial environment. As the first step, data representing existing plant conditions were collected by sampling and sample analysis. Data were then balanced and provided a basis for assessing the efficiency ofmore » individual devices and the plant, and also for performing simulations aimed at improving plant efficiency. Performance evaluation served as a guide in developing alternative process strategies for more efficient production. A large number of computer simulations were then performed to quantify the benefits and effects of implementing these alternative schemes. Modification of makeup ball size was selected as the most feasible option for the target performance improvement. This was combined with replacement of existing hydrocyclones with more efficient ones. After plant implementation of these modifications, plant sampling surveys were carried out to validate findings of the simulation-based study. Plant data showed very good agreement with the simulated data, confirming results of simulation. After the implementation of modifications in the plant, several upstream bottlenecks became visible. Despite these bottlenecks limiting full capacity, concentrator energy improvement of 7% was obtained. Further improvements in energy efficiency are expected in the near future. The success of this project demonstrated the feasibility of a simulation-based approach. Currently, the Center provides simulation-based service to all the iron ore mining companies operating in northern Minnesota, and future proposals are pending with non-taconite mineral processing applications.« less

  14. A Digital Compressed Sensing-Based Energy-Efficient Single-Spot Bluetooth ECG Node

    PubMed Central

    Cai, Zhipeng; Zou, Fumin; Zhang, Xiangyu

    2018-01-01

    Energy efficiency is still the obstacle for long-term real-time wireless ECG monitoring. In this paper, a digital compressed sensing- (CS-) based single-spot Bluetooth ECG node is proposed to deal with the challenge in wireless ECG application. A periodic sleep/wake-up scheme and a CS-based compression algorithm are implemented in a node, which consists of ultra-low-power analog front-end, microcontroller, Bluetooth 4.0 communication module, and so forth. The efficiency improvement and the node's specifics are evidenced by the experiments using the ECG signals sampled by the proposed node under daily activities of lay, sit, stand, walk, and run. Under using sparse binary matrix (SBM), block sparse Bayesian learning (BSBL) method, and discrete cosine transform (DCT) basis, all ECG signals were essentially undistorted recovered with root-mean-square differences (PRDs) which are less than 6%. The proposed sleep/wake-up scheme and data compression can reduce the airtime over energy-hungry wireless links, the energy consumption of proposed node is 6.53 mJ, and the energy consumption of radio decreases 77.37%. Moreover, the energy consumption increase caused by CS code execution is negligible, which is 1.3% of the total energy consumption. PMID:29599945

  15. A Digital Compressed Sensing-Based Energy-Efficient Single-Spot Bluetooth ECG Node.

    PubMed

    Luo, Kan; Cai, Zhipeng; Du, Keqin; Zou, Fumin; Zhang, Xiangyu; Li, Jianqing

    2018-01-01

    Energy efficiency is still the obstacle for long-term real-time wireless ECG monitoring. In this paper, a digital compressed sensing- (CS-) based single-spot Bluetooth ECG node is proposed to deal with the challenge in wireless ECG application. A periodic sleep/wake-up scheme and a CS-based compression algorithm are implemented in a node, which consists of ultra-low-power analog front-end, microcontroller, Bluetooth 4.0 communication module, and so forth. The efficiency improvement and the node's specifics are evidenced by the experiments using the ECG signals sampled by the proposed node under daily activities of lay, sit, stand, walk, and run. Under using sparse binary matrix (SBM), block sparse Bayesian learning (BSBL) method, and discrete cosine transform (DCT) basis, all ECG signals were essentially undistorted recovered with root-mean-square differences (PRDs) which are less than 6%. The proposed sleep/wake-up scheme and data compression can reduce the airtime over energy-hungry wireless links, the energy consumption of proposed node is 6.53 mJ, and the energy consumption of radio decreases 77.37%. Moreover, the energy consumption increase caused by CS code execution is negligible, which is 1.3% of the total energy consumption.

  16. Support Services for Ceramic Fiber-Ceramic Matrix Composites

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

    Hurley, JP

    2001-08-16

    To increase national energy self-sufficiency for the near future, power systems will be required to fire low-grade fuels more efficiently than is currently possible. The typical coal-fired steam cycle used at present is limited to a maximum steam temperature of 540 C and a conversion efficiency of 35%. Higher working-fluid temperatures are required to boost efficiency, exposing subsystems to very damaging conditions. Issues of special concern to materials developers are corrosion and warping of hot-gas particulate filters and corrosion and erosion of high-temperature heat exchangers. The University of North Dakota Energy and Environmental Research Center (EERC) is working with themore » National Energy Technology Laboratory in conjunction with NCC Engineering, Inc., to provide technical assistance and coal by-products to the Fossil Energy Materials Advanced Research and Technology Development Materials Program investigating materials failure in fossil energy systems. The main activities of the EERC are to assemble coal slag and hot-gas filter ash samples for use by materials researchers, to assist in providing opportunities for realistic tests of advanced materials in pilot-scale fossil energy systems, and to provide analytical support in determining corrosion mechanisms of the exposed materials. In this final report for the project year of September 2000 through August 2001, the facilities at the EERC that can be used by researchers for realistic testing of materials are described. Researchers can include sample coupons in each of these facilities at no cost since they are being operated under separate funding. In addition, two pilot-scale coal combustion tests are described in which material sample coupons were included from researchers involved in the development of fossil energy materials. The results of scanning electron microscopy (SEM) energy dispersive x-ray analyses of the corrosion products and interactions between the surface scales of the coupons and the products of coal combustion found on the coupons exposed during those tests are reported. Finally, a relative comparison of ceramic and alloy material performance based on the SEM results is presented.« less

  17. De novo protein structure prediction by dynamic fragment assembly and conformational space annealing.

    PubMed

    Lee, Juyong; Lee, Jinhyuk; Sasaki, Takeshi N; Sasai, Masaki; Seok, Chaok; Lee, Jooyoung

    2011-08-01

    Ab initio protein structure prediction is a challenging problem that requires both an accurate energetic representation of a protein structure and an efficient conformational sampling method for successful protein modeling. In this article, we present an ab initio structure prediction method which combines a recently suggested novel way of fragment assembly, dynamic fragment assembly (DFA) and conformational space annealing (CSA) algorithm. In DFA, model structures are scored by continuous functions constructed based on short- and long-range structural restraint information from a fragment library. Here, DFA is represented by the full-atom model by CHARMM with the addition of the empirical potential of DFIRE. The relative contributions between various energy terms are optimized using linear programming. The conformational sampling was carried out with CSA algorithm, which can find low energy conformations more efficiently than simulated annealing used in the existing DFA study. The newly introduced DFA energy function and CSA sampling algorithm are implemented into CHARMM. Test results on 30 small single-domain proteins and 13 template-free modeling targets of the 8th Critical Assessment of protein Structure Prediction show that the current method provides comparable and complementary prediction results to existing top methods. Copyright © 2011 Wiley-Liss, Inc.

  18. Computing the Free Energy along a Reaction Coordinate Using Rigid Body Dynamics.

    PubMed

    Tao, Peng; Sodt, Alexander J; Shao, Yihan; König, Gerhard; Brooks, Bernard R

    2014-10-14

    The calculations of potential of mean force along complex chemical reactions or rare events pathways are of great interest because of their importance for many areas in chemistry, molecular biology, and material science. The major difficulty for free energy calculations comes from the great computational cost for adequate sampling of the system in high-energy regions, especially close to the reaction transition state. Here, we present a method, called FEG-RBD, in which the free energy gradients were obtained from rigid body dynamics simulations. Then the free energy gradients were integrated along a reference reaction pathway to calculate free energy profiles. In a given system, the reaction coordinates defining a subset of atoms (e.g., a solute, or the quantum mechanics (QM) region of a quantum mechanics/molecular mechanics simulation) are selected to form a rigid body during the simulation. The first-order derivatives (gradients) of the free energy with respect to the reaction coordinates are obtained through the integration of constraint forces within the rigid body. Each structure along the reference reaction path is separately subjected to such a rigid body simulation. The individual free energy gradients are integrated along the reference pathway to obtain the free energy profile. Test cases provided demonstrate both the strengths and weaknesses of the FEG-RBD method. The most significant benefit of this method comes from the fast convergence rate of the free energy gradient using rigid-body constraints instead of restraints. A correction to the free energy due to approximate relaxation of the rigid-body constraint is estimated and discussed. A comparison with umbrella sampling using a simple test case revealed the improved sampling efficiency of FEG-RBD by a factor of 4 on average. The enhanced efficiency makes this method effective for calculating the free energy of complex chemical reactions when the reaction coordinate can be unambiguously defined by a small subset of atoms within the system.

  19. Computing the Free Energy along a Reaction Coordinate Using Rigid Body Dynamics

    PubMed Central

    2015-01-01

    The calculations of potential of mean force along complex chemical reactions or rare events pathways are of great interest because of their importance for many areas in chemistry, molecular biology, and material science. The major difficulty for free energy calculations comes from the great computational cost for adequate sampling of the system in high-energy regions, especially close to the reaction transition state. Here, we present a method, called FEG-RBD, in which the free energy gradients were obtained from rigid body dynamics simulations. Then the free energy gradients were integrated along a reference reaction pathway to calculate free energy profiles. In a given system, the reaction coordinates defining a subset of atoms (e.g., a solute, or the quantum mechanics (QM) region of a quantum mechanics/molecular mechanics simulation) are selected to form a rigid body during the simulation. The first-order derivatives (gradients) of the free energy with respect to the reaction coordinates are obtained through the integration of constraint forces within the rigid body. Each structure along the reference reaction path is separately subjected to such a rigid body simulation. The individual free energy gradients are integrated along the reference pathway to obtain the free energy profile. Test cases provided demonstrate both the strengths and weaknesses of the FEG-RBD method. The most significant benefit of this method comes from the fast convergence rate of the free energy gradient using rigid-body constraints instead of restraints. A correction to the free energy due to approximate relaxation of the rigid-body constraint is estimated and discussed. A comparison with umbrella sampling using a simple test case revealed the improved sampling efficiency of FEG-RBD by a factor of 4 on average. The enhanced efficiency makes this method effective for calculating the free energy of complex chemical reactions when the reaction coordinate can be unambiguously defined by a small subset of atoms within the system. PMID:25328492

  20. Independent-Trajectory Thermodynamic Integration: a practical guide to protein-drug binding free energy calculations using distributed computing.

    PubMed

    Lawrenz, Morgan; Baron, Riccardo; Wang, Yi; McCammon, J Andrew

    2012-01-01

    The Independent-Trajectory Thermodynamic Integration (IT-TI) approach for free energy calculation with distributed computing is described. IT-TI utilizes diverse conformational sampling obtained from multiple, independent simulations to obtain more reliable free energy estimates compared to single TI predictions. The latter may significantly under- or over-estimate the binding free energy due to finite sampling. We exemplify the advantages of the IT-TI approach using two distinct cases of protein-ligand binding. In both cases, IT-TI yields distributions of absolute binding free energy estimates that are remarkably centered on the target experimental values. Alternative protocols for the practical and general application of IT-TI calculations are investigated. We highlight a protocol that maximizes predictive power and computational efficiency.

  1. Capillary electrophoresis, a method for the determination of nucleic acid ligands covalently attached to quantum dots representing a donor of Förster resonance energy transfer.

    PubMed

    Datinská, Vladimíra; Klepárník, Karel; Belšánová, Barbora; Minárik, Marek; Foret, František

    2018-05-09

    The synthesis and determination of the structure of a Förster resonance energy transfer probe intended for the detection of specific nucleic acid sequences are described here. The probe is based on the hybridization of oligonucleotide modified quantum dots with a fluorescently labeled nucleic acid sample resulting in changes of the fluorescence emission due to the energy transfer effect. The stoichiometry distribution of oligonucleotides conjugated to quantum dots was determined by capillary electrophoresis separation. The results indicate that one to four molecules of oligonucleotide are conjugated to the surface of a single nanoparticle. This conclusion is confirmed by the course of the dependence of Förster resonance energy transfer efficiency on the concentration of fluorescently labeled complementary single-stranded nucleic acid, showing saturation. While the energy transfer efficiency of the probe hybridized with complementary nucleic acid strands was 30%, negligible efficiency was observed with a non-complementary strands. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

  2. Scanning Electron Microscopy with Samples in an Electric Field

    PubMed Central

    Frank, Ludĕk; Hovorka, Miloš; Mikmeková, Šárka; Mikmeková, Eliška; Müllerová, Ilona; Pokorná, Zuzana

    2012-01-01

    The high negative bias of a sample in a scanning electron microscope constitutes the “cathode lens” with a strong electric field just above the sample surface. This mode offers a convenient tool for controlling the landing energy of electrons down to units or even fractions of electronvolts with only slight readjustments of the column. Moreover, the field accelerates and collimates the signal electrons to earthed detectors above and below the sample, thereby assuring high collection efficiency and high amplification of the image signal. One important feature is the ability to acquire the complete emission of the backscattered electrons, including those emitted at high angles with respect to the surface normal. The cathode lens aberrations are proportional to the landing energy of electrons so the spot size becomes nearly constant throughout the full energy scale. At low energies and with their complete angular distribution acquired, the backscattered electron images offer enhanced information about crystalline and electronic structures thanks to contrast mechanisms that are otherwise unavailable. Examples from various areas of materials science are presented.

  3. Refining Collective Coordinates and Improving Free Energy Representation in Variational Enhanced Sampling.

    PubMed

    Yang, Yi Isaac; Parrinello, Michele

    2018-06-12

    Collective variables are used often in many enhanced sampling methods, and their choice is a crucial factor in determining sampling efficiency. However, at times, searching for good collective variables can be challenging. In a recent paper, we combined time-lagged independent component analysis with well-tempered metadynamics in order to obtain improved collective variables from metadynamics runs that use lower quality collective variables [ McCarty, J.; Parrinello, M. J. Chem. Phys. 2017 , 147 , 204109 ]. In this work, we extend these ideas to variationally enhanced sampling. This leads to an efficient scheme that is able to make use of the many advantages of the variational scheme. We apply the method to alanine-3 in water. From an alanine-3 variationally enhanced sampling trajectory in which all the six dihedral angles are biased, we extract much better collective variables able to describe in exquisite detail the protein complex free energy surface in a low dimensional representation. The success of this investigation is helped by a more accurate way of calculating the correlation functions needed in the time-lagged independent component analysis and from the introduction of a new basis set to describe the dihedral angles arrangement.

  4. D-DSC: Decoding Delay-based Distributed Source Coding for Internet of Sensing Things

    PubMed Central

    Akan, Ozgur B.

    2018-01-01

    Spatial correlation between densely deployed sensor nodes in a wireless sensor network (WSN) can be exploited to reduce the power consumption through a proper source coding mechanism such as distributed source coding (DSC). In this paper, we propose the Decoding Delay-based Distributed Source Coding (D-DSC) to improve the energy efficiency of the classical DSC by employing the decoding delay concept which enables the use of the maximum correlated portion of sensor samples during the event estimation. In D-DSC, network is partitioned into clusters, where the clusterheads communicate their uncompressed samples carrying the side information, and the cluster members send their compressed samples. Sink performs joint decoding of the compressed and uncompressed samples and then reconstructs the event signal using the decoded sensor readings. Based on the observed degree of the correlation among sensor samples, the sink dynamically updates and broadcasts the varying compression rates back to the sensor nodes. Simulation results for the performance evaluation reveal that D-DSC can achieve reliable and energy-efficient event communication and estimation for practical signal detection/estimation applications having massive number of sensors towards the realization of Internet of Sensing Things (IoST). PMID:29538405

  5. D-DSC: Decoding Delay-based Distributed Source Coding for Internet of Sensing Things.

    PubMed

    Aktas, Metin; Kuscu, Murat; Dinc, Ergin; Akan, Ozgur B

    2018-01-01

    Spatial correlation between densely deployed sensor nodes in a wireless sensor network (WSN) can be exploited to reduce the power consumption through a proper source coding mechanism such as distributed source coding (DSC). In this paper, we propose the Decoding Delay-based Distributed Source Coding (D-DSC) to improve the energy efficiency of the classical DSC by employing the decoding delay concept which enables the use of the maximum correlated portion of sensor samples during the event estimation. In D-DSC, network is partitioned into clusters, where the clusterheads communicate their uncompressed samples carrying the side information, and the cluster members send their compressed samples. Sink performs joint decoding of the compressed and uncompressed samples and then reconstructs the event signal using the decoded sensor readings. Based on the observed degree of the correlation among sensor samples, the sink dynamically updates and broadcasts the varying compression rates back to the sensor nodes. Simulation results for the performance evaluation reveal that D-DSC can achieve reliable and energy-efficient event communication and estimation for practical signal detection/estimation applications having massive number of sensors towards the realization of Internet of Sensing Things (IoST).

  6. Simulated Tempering Distributed Replica Sampling, Virtual Replica Exchange, and Other Generalized-Ensemble Methods for Conformational Sampling.

    PubMed

    Rauscher, Sarah; Neale, Chris; Pomès, Régis

    2009-10-13

    Generalized-ensemble algorithms in temperature space have become popular tools to enhance conformational sampling in biomolecular simulations. A random walk in temperature leads to a corresponding random walk in potential energy, which can be used to cross over energetic barriers and overcome the problem of quasi-nonergodicity. In this paper, we introduce two novel methods: simulated tempering distributed replica sampling (STDR) and virtual replica exchange (VREX). These methods are designed to address the practical issues inherent in the replica exchange (RE), simulated tempering (ST), and serial replica exchange (SREM) algorithms. RE requires a large, dedicated, and homogeneous cluster of CPUs to function efficiently when applied to complex systems. ST and SREM both have the drawback of requiring extensive initial simulations, possibly adaptive, for the calculation of weight factors or potential energy distribution functions. STDR and VREX alleviate the need for lengthy initial simulations, and for synchronization and extensive communication between replicas. Both methods are therefore suitable for distributed or heterogeneous computing platforms. We perform an objective comparison of all five algorithms in terms of both implementation issues and sampling efficiency. We use disordered peptides in explicit water as test systems, for a total simulation time of over 42 μs. Efficiency is defined in terms of both structural convergence and temperature diffusion, and we show that these definitions of efficiency are in fact correlated. Importantly, we find that ST-based methods exhibit faster temperature diffusion and correspondingly faster convergence of structural properties compared to RE-based methods. Within the RE-based methods, VREX is superior to both SREM and RE. On the basis of our observations, we conclude that ST is ideal for simple systems, while STDR is well-suited for complex systems.

  7. Calculating the free energy of transfer of small solutes into a model lipid membrane: Comparison between metadynamics and umbrella sampling

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

    Bochicchio, Davide; Panizon, Emanuele; Ferrando, Riccardo

    2015-10-14

    We compare the performance of two well-established computational algorithms for the calculation of free-energy landscapes of biomolecular systems, umbrella sampling and metadynamics. We look at benchmark systems composed of polyethylene and polypropylene oligomers interacting with lipid (phosphatidylcholine) membranes, aiming at the calculation of the oligomer water-membrane free energy of transfer. We model our test systems at two different levels of description, united-atom and coarse-grained. We provide optimized parameters for the two methods at both resolutions. We devote special attention to the analysis of statistical errors in the two different methods and propose a general procedure for the error estimation inmore » metadynamics simulations. Metadynamics and umbrella sampling yield the same estimates for the water-membrane free energy profile, but metadynamics can be more efficient, providing lower statistical uncertainties within the same simulation time.« less

  8. Reaction chemistry and collisional processes in multiple devices for resolving isobaric interferences in ICP-MS.

    PubMed

    Bandura, D R; Baranov, V I; Tanner, S D

    2001-07-01

    A low-level review of the fundamentals of ion-molecule interactions is presented. These interactions are used to predict the efficiencies of collisional fragmentation, energy damping and reaction for a variety of neutral gases as a function of pressure in a rf-driven collision/reaction cell. It is shown that the number of collisions increases dramatically when the ion energies are reduced to near-thermal (< 0.1 eV), because of the ion-induced dipole and ion-dipole interaction. These considerations suggest that chemical reaction can be orders of magnitude more efficient at improving the analyte signal/background ratio than can collisional fragmentation. Considerations that lead to an appropriate selection of type of gas, operating pressure, and ion energies for efficient operation of the cell for the alleviation of spectral interferences are discussed. High efficiency (large differences between reaction efficiencies of the analyte and interference ions, and concomitant suppression of secondary chemistry) might be required to optimize the chemical resolution (determination of an analyte in the presence of an isobaric interference) when using ion-molecule chemistry to suppress the interfering ion. In many instances atom transfer to the analyte, which shifts the analytical m/z by the mass of the atom transferred, provides high chemical resolution, even when the efficiency of reaction is relatively low. Examples are given of oxidation, hydroxylation, and chlorination of analyte ions (V+, Fe+, As+, Se+, Sr+, Y+, and Zr+) to improve the capability of determination of complex samples. Preliminary results are given showing O-atom abstraction by CO from CaO+ to enable the determination of Fe in high-Ca samples.

  9. Synergistic effect of ultrasonic pre-treatment combined with UV irradiation for secondary effluent disinfection.

    PubMed

    Jin, Xin; Li, Zifu; Xie, Lanlan; Zhao, Yuan; Wang, Tingting

    2013-11-01

    The ultraviolet (UV) disinfection efficiency is often affected by suspended solids (SS). Given their high concentration or large particle size, SS can scatter UV light and provide shielding for bacteria. Thus, ultrasound is often employed as a pre-treatment process to improve UV disinfection. This work investigated the synergistic effect of ultrasound combined with UV for secondary effluent disinfection. Bench-scale experiments were conducted in using samples obtained from secondary sedimentation tanks. These tanks belonged to three wastewater treatment plants in Beijing that use different kinds of biological treatment methods. Several parameters may contribute to the changes in the efficiency of ultrasound and UV disinfection. Thus, the frequency and energy density of ultrasound, as well as the SS, were investigated. Results demonstrated that samples which have relatively higher SS concentrations or higher percentages of larger particles have less disinfection efficiency using UV disinfection alone. However, the presence of ultrasound could improve the disinfection efficiency because it has synergistic effect. Changes in the particle size distribution and SS concentration notably affected the efficiency of UV disinfection. The efficiency of Escherichia coli elimination can be decreased by 1.2 log units as the SS concentration increases from 16.9 mg/l to 25.4 mg/l at a UV energy density of 40 mJ/cm(2). UV disinfection alone reduced the E. coli population by 3.4 log units. However, the synergistic disinfection of ultrasound and UV could reach 5.4 log units during the reduction of E. coli at a 40 kHz frequency and an energy density of 2.64 kJ/l. The additional synergistic effect is 1.1 log units. Copyright © 2013 Elsevier B.V. All rights reserved.

  10. Exploring Valleys without Climbing Every Peak: More Efficient and Forgiving Metabasin Metadynamics via Robust On-the-Fly Bias Domain Restriction

    PubMed Central

    2015-01-01

    Metadynamics is an enhanced sampling method designed to flatten free energy surfaces uniformly. However, the highest-energy regions are often irrelevant to study and dangerous to explore because systems often change irreversibly in unforeseen ways in response to driving forces in these regions, spoiling the sampling. Introducing an on-the-fly domain restriction allows metadynamics to flatten only up to a specified energy level and no further, improving efficiency and safety while decreasing the pressure on practitioners to design collective variables that are robust to otherwise irrelevant high energy driving. This paper describes a new method that achieves this using sequential on-the-fly estimation of energy wells and redefinition of the metadynamics hill shape, termed metabasin metadynamics. The energy level may be defined a priori or relative to unknown barrier energies estimated on-the-fly. Altering only the hill ensures that the method is compatible with many other advances in metadynamics methodology. The hill shape has a natural interpretation in terms of multiscale dynamics, and the computational overhead in simulation is minimal when studying systems of any reasonable size, for instance proteins or other macromolecules. Three example applications show that the formula is accurate and robust to complex dynamics, making metadynamics significantly more forgiving with respect to CV quality and thus more feasible to apply to the most challenging biomolecular systems. PMID:26587809

  11. Note: Microelectrode-shielding tip for scanning probe electron energy spectroscopy

    NASA Astrophysics Data System (ADS)

    Huang, Wei; Li, Zhean; Xu, Chunkai; Liu, Jian; Xu, Chunye; Chen, Xiangjun

    2018-04-01

    We report a novel microelectrode-shielding tip (ME tip) for scanning probe electron energy spectroscopy (SPEES). The shielding effect of this tip is studied through comparing the detection efficiency with the normal tip by both experiment and simulation. The results show that the backscattering count rate detected by the SPEES instrument using the normal tip begins to decrease as the tip approaches to the sample surface within 21 μm, while that using the ME tip only starts to drop off within 1 μm. This indicates that the electron energy spectra can be measured with the ME tip at a much closer tip-sample distance. Furthermore, it is also demonstrated that the ME tip can be used to obtain topography of the sample surface in situ simultaneously.

  12. Development and evaluation of a collection apparatus for recoil products for study of the deexcitation process of (235m)U.

    PubMed

    Shigekawa, Y; Kasamatsu, Y; Shinohara, A

    2016-05-01

    The nucleus (235m)U is an isomer with extremely low excitation energy (76.8 eV) and decays dominantly through the internal conversion (IC) process. Because outer-shell electrons are involved in the IC process, the decay constant of (235m)U depends on its chemical environment. We plan to study the deexcitation process of (235m)U by measuring the energy spectra of IC electrons in addition to the decay constants for various chemical forms. In this paper, the preparation method of (235m)U samples from (239)Pu by using alpha-recoil energy is reported. A Collection Apparatus for Recoil Products was fabricated, and then collection efficiencies under various conditions were determined by collecting (224)Ra recoiling out of (228)Th electrodeposited and precipitated sources. The pressure in the apparatus (vacuum or 1 atm of N2 gas) affected the variations of the collection efficiencies depending on the negative voltage applied to the collector. The maximum values of the collection efficiencies were mainly affected by the thickness of the (228)Th sources. From these results, the suitable conditions of the (239)Pu sources for preparation of (235m)U were determined. In addition, dissolution efficiencies were determined by washing collected (224)Ra with solutions. When (224)Ra was collected in 1 atm of N2 gas and dissolved with polar solutions such as water, the dissolution efficiencies were nearly 100%. The method of rapid dissolution of recoil products would be applicable to rapid preparation of short-lived (235m)U samples for various chemical forms.

  13. Energy use in the New Zealand food system

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

    Patterson, M.G.; Earle, M.D.

    1985-03-01

    The study covered the total energy requirements of the production, processing, wholesale distribution, retailing, shopping and household sectors of the food system in New Zealand. This included the direct energy requirements, and the indirect energy requirements in supplying materials, buildings and equipment. Data were collected from a wide range of literature sources, and converted into forms required for this research project. Also, data were collected in supplementary sample surveys at the wholesale distribution, retailing and shopping sectors. The details of these supplementary surveys are outlined in detailed survey reports fully referenced in the text. From these base data, the totalmore » energy requirements per unit product (MJ/kg) were estimated for a wide range of food chain steps. Some clear alternatives in terms of energy efficiency emerged from a comparison of these estimates. For example, it was found that it was most energy efficient to use dehydrated vegetables, followed by fresh vegetables, freeze dried vegetables, canned vegetables and then finally frozen vegetables.« less

  14. A comparative study on the mechanical energy of the normal, ACL, osteoarthritis, and Parkinson subjects.

    PubMed

    Bahreinizad, Hossein; Salimi Bani, Milad; Hasani, Mojtaba; Karimi, Mohammad Taghi; Sharifmoradi, Keyvan; Karimi, Alireza

    2017-08-09

    The influence of various musculoskeletal disorders has been evaluated using different kinetic and kinematic parameters. But the efficiency of walking can be evaluated by measuring the effort of the subject, or by other words the energy that is required to walk. The aim of this study was to identify mechanical energy differences between the normal and pathological groups. Four groups of 15 healthy subjects, 13 Parkinson subjects, 4 osteoarthritis subjects, and 4 ACL reconstructed subjects have participated in this study. The motions of foot, shank and thigh were recorded using a three dimensional motion analysis system. The kinetic, potential and total mechanical energy of each segment was calculated using 3D markers positions and anthropometric measurements. Maximum value and sample entropy of energies was compared between the normal and abnormal subjects. Maximum value of potential energy of OA subjects was lower than the normal subjects. Furthermore, sample entropy of mechanical energy for Parkinson subjects was low in comparison to the normal subjects while sample entropy of mechanical energy for the ACL subjects was higher than that of the normal subjects. Findings of this study suggested that the subjects with different abilities show different mechanical energy during walking.

  15. 10 CFR 431.76 - Uniform test method for the measurement of energy efficiency of commercial warm air furnaces.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... § 431.75) you must locate one or two sampling tubes within six inches downstream from the flue....75). If you use an open end tube, it must project into the flue one-third of the chimney connector diameter. If you use other methods of sampling CO2, you must place the sampling tube so as to obtain an...

  16. Acoustic Levitation System

    NASA Technical Reports Server (NTRS)

    Gammell, P. M.; Wang, T. G.; Croonquist, A.; Lee, M. C.

    1985-01-01

    Dense materials, such as steel balls, continuously levitated with energy provided by efficient high-powered siren in combination with shaped reflector. Reflector system, consisting of curved top reflector and flat lower reflector, eliminates instability in spatial positioning of sample.

  17. Mid-infrared spectrometry of milk as a predictor of energy intake and efficiency in lactating dairy cows.

    PubMed

    McParland, S; Lewis, E; Kennedy, E; Moore, S G; McCarthy, B; O'Donovan, M; Butler, S T; Pryce, J E; Berry, D P

    2014-09-01

    Interest is increasing in the feed intake complex of individual dairy cows, both for management and animal breeding. However, energy intake data on an individual-cow basis are not routinely available. The objective of the present study was to quantify the ability of routinely undertaken mid-infrared (MIR) spectroscopy analysis of individual cow milk samples to predict individual cow energy intake and efficiency. Feed efficiency in the present study was described by residual feed intake (RFI), which is the difference between actual energy intake and energy used (e.g., milk production, maintenance, and body tissue anabolism) or supplied from body tissue mobilization. A total of 1,535 records for energy intake, RFI, and milk MIR spectral data were available from an Irish research herd across 36 different test days from 535 lactations on 378 cows. Partial least squares regression analyses were used to relate the milk MIR spectral data to either energy intake or efficiency. The coefficient of correlation (REX) of models to predict RFI across lactation ranged from 0.48 to 0.60 in an external validation data set; the predictive ability was, however, strongest (REX=0.65) in early lactation (<60 d in milk). The inclusion of milk yield as a predictor variable improved the accuracy of predicting energy intake across lactation (REX=0.70). The correlation between measured RFI and measured energy balance across lactation was 0.85, whereas the correlation between RFI and energy balance, both predicted from the MIR spectrum, was 0.65. Milk MIR spectral data are routinely generated for individual cows throughout lactation and, therefore, the prediction equations developed in the present study can be immediately (and retrospectively where MIR spectral data have been stored) applied to predict energy intake and efficiency to aid in management and breeding decisions. Copyright © 2014 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

  18. Sampling enhancement for the quantum mechanical potential based molecular dynamics simulations: a general algorithm and its extension for free energy calculation on rugged energy surface.

    PubMed

    Li, Hongzhi; Yang, Wei

    2007-03-21

    An approach is developed in the replica exchange framework to enhance conformational sampling for the quantum mechanical (QM) potential based molecular dynamics simulations. Importantly, with our enhanced sampling treatment, a decent convergence for electronic structure self-consistent-field calculation is robustly guaranteed, which is made possible in our replica exchange design by avoiding direct structure exchanges between the QM-related replicas and the activated (scaled by low scaling parameters or treated with high "effective temperatures") molecular mechanical (MM) replicas. Although the present approach represents one of the early efforts in the enhanced sampling developments specifically for quantum mechanical potentials, the QM-based simulations treated with the present technique can possess the similar sampling efficiency to the MM based simulations treated with the Hamiltonian replica exchange method (HREM). In the present paper, by combining this sampling method with one of our recent developments (the dual-topology alchemical HREM approach), we also introduce a method for the sampling enhanced QM-based free energy calculations.

  19. Energy partitioning and thyroid hormone levels during Salmonella enteritidis infections in pullets with high or low residual feed intake.

    PubMed

    Van Eerden, E; Van Den Brand, H; Heetkamp, M J W; Decuypere, E; Kemp, B

    2006-10-01

    This experiment was conducted to investigate whether feed efficiency, as measured by residual feed intake as a phenotypic trait, affects energy partitioning in pullets that have received Salmonella inoculation as an immune challenge. In each of 8 trials, energy partitioning was measured during 5 wk in 15-wk-old efficient (R-) and nonefficient (R+) pullets, which were housed per efficiency group in 2 identical climate respiration chambers. After 1 wk of adaptation, the pullets in 4 trials were orally inoculated with 10(8) cfu of Salmonella enteritidis; pullets in the remaining trials were not inoculated and served as controls. Heat production was calculated from continuous recordings of O(2) consumption and CO(2) production. Energy and N partitioning were recorded on a weekly basis. Blood samples for analyses on thyroid hormones were taken at 16, 17, and 19 wk of age. There were no interactions between efficiency type and Salmonella treatment or Salmonella treatment effects in energy partitioning, except for a short-term increase in heat production in inoculated pullets. Nonefficient pullets had higher gross energy and ME intake, higher estimated ME for maintenance, lower ME:gross energy ratio, and higher total heat production and nonactivity-related heat production compared with R- pullets. Triiodothyronine levels in R+ pullets were higher at 16 and 17 wk but were lower at 19 wk of age compared with R- pullets. Thyroxine levels were higher in R- at 16 wk and showed interactions between efficiency type and Salmonella treatment at 17 and 19 wk of age. Body weights and spleen weights did not differ between efficiency groups. Nonefficient pullets had higher heart, liver, and ovary weights and more large yellow follicles than R- pullets. There were no Salmonella effects on body and organ weights. We conclude that R+ pullets have a faster running energy metabolism and that they put more resources into organ development than R- pullets. Inoculation with Salmonella has a short-term effect on nonactivity-related heat production but does not affect energy partitioning, regardless of efficiency type.

  20. Enhanced recoverable energy storage density and high efficiency of SrTiO3-based lead-free ceramics

    NASA Astrophysics Data System (ADS)

    Yang, Haibo; Yan, Fei; Lin, Ying; Wang, Tong

    2017-12-01

    In this study, (1-x)SrTiO3-x(Bi0.48La0.02Na0.48Li0.02Ti0.98Zr0.02O3) [(1-x)ST-xBLNLTZ] lead-free ceramics with x = 0-0.4 were designed and fabricated using the tape casting process and the subsequent conventional solid-state sintering method. The (1-x)ST-xBLNLTZ ceramics are characterized by the excellent frequency stability of the dielectric constant, large maximum polarization (Pmax), low remnant polarization (Pr), and slim polarization-electric field (P-E) loops. For the composition of x = 0.4, Pmax is increased to 30.35 μC/cm2, 3.82 times higher than that of pure SrTiO3 (7.95 μC/cm2). The breakdown strength is larger than 200 kV/cm for all the samples. The sample with x = 0.1 exhibits a high recoverable energy storage density (Wrec) of 2.59 J/cm3 and a high energy storage efficiency (η) of 85% simultaneously. The results demonstrate that the (1-x)ST-xBLNLTZ ceramics are promising lead-free materials for high energy storage applications.

  1. Sampling the energy landscape of Pt13 with metadynamics

    NASA Astrophysics Data System (ADS)

    Pavan, Luca; Di Paola, Cono; Baletto, Francesca

    2013-02-01

    The potential energy surface of a metallic nanoparticle formed by 13 atoms of platinum is efficiently explored using metadynamics in combination with empirical potential molecular dynamics. The scenario obtained is wider and more complex of what was previously reported: more than thirty independent energy basins are found, corresponding to different local minima of Pt. It is demonstrated that in almost all the cases these motifs are local minima even at ab-initio level, hence proving the effectiveness of the method to sample the energy landscape. A classification of the minima in structural families is proposed, and a discussion regarding the shape and the connections between energy basins is reported. ISSPIC 16 - 16th International Symposium on Small Particles and Inorganic Clusters, edited by Kristiaan Temst, Margriet J. Van Bael, Ewald Janssens, H.-G. Boyen and Françoise Remacle.

  2. Adaptive Sampling for Urban Air Quality through Participatory Sensing

    PubMed Central

    Zeng, Yuanyuan; Xiang, Kai

    2017-01-01

    Air pollution is one of the major problems of the modern world. The popularization and powerful functions of smartphone applications enable people to participate in urban sensing to better know about the air problems surrounding them. Data sampling is one of the most important problems that affect the sensing performance. In this paper, we propose an Adaptive Sampling Scheme for Urban Air Quality (AS-air) through participatory sensing. Firstly, we propose to find the pattern rules of air quality according to the historical data contributed by participants based on Apriori algorithm. Based on it, we predict the on-line air quality and use it to accelerate the learning process to choose and adapt the sampling parameter based on Q-learning. The evaluation results show that AS-air provides an energy-efficient sampling strategy, which is adaptive toward the varied outside air environment with good sampling efficiency. PMID:29099766

  3. The Role of Interaction Patterns with Hybrid Electric Vehicle Eco-Features for Drivers' Eco-Driving Performance.

    PubMed

    Arend, Matthias G; Franke, Thomas

    2017-03-01

    The objective of the present research was to understand drivers' interaction patterns with hybrid electric vehicles' (HEV) eco-features (electric propulsion, regenerative braking, neutral mode) and their relationship to fuel efficiency and driver characteristics (technical system knowledge, eco-driving motivation). Eco-driving (driving behaviors performed to achieve higher fuel efficiency) has the potential to reduce CO 2 emissions caused by road vehicles. Eco-driving in HEVs is particularly challenging due to the systems' dynamic energy flows. As a result, drivers are likely to show diverse eco-driving behaviors, depending on factors like knowledge and motivation. The eco-features represent an interface for the control of the systems' energy flows. A sample of 121 HEV drivers who had constantly logged their fuel consumption prior to the study participated in an online questionnaire. Drivers' interaction patterns with the eco-features were related to fuel efficiency. A common factor was identified in an exploratory factor analysis, characterizing the intensity of actively dealing with electric energy, which was also related to fuel efficiency. Driver characteristics were not related to this factor, yet they were significant predictors of fuel efficiency. From the perspective of user-energy interaction, the relationship of the aggregated factor to fuel efficiency emphasizes the central role of drivers' perception of and interaction with energy conversions in determining HEV eco-driving success. To arrive at an in-depth understanding of drivers' eco-driving behaviors that can guide interface design, authors of future research should be concerned with the psychological processes that underlie drivers' interaction patterns with eco-features.

  4. Role of surface energy and nano-roughness in the removal efficiency of bacterial contamination by nonwoven wipes from frequently touched surfaces

    NASA Astrophysics Data System (ADS)

    Edwards, Nicholas W. M.; Best, Emma L.; Connell, Simon D.; Goswami, Parikshit; Carr, Chris M.; Wilcox, Mark H.; Russell, Stephen J.

    2017-12-01

    Healthcare associated infections (HCAIs) are responsible for substantial patient morbidity, mortality and economic cost. Infection control strategies for reducing rates of transmission include the use of nonwoven wipes to remove pathogenic bacteria from frequently touched surfaces. Wiping is a dynamic process that involves physicochemical mechanisms to detach and transfer bacteria to fibre surfaces within the wipe. The purpose of this study was to determine the extent to which systematic changes in fibre surface energy and nano-roughness influence removal of bacteria from an abiotic polymer surface in dry wiping conditions, without liquid detergents or disinfectants. Nonwoven wipe substrates composed of two commonly used fibre types, lyocell (cellulosic) and polypropylene, with different surface energies and nano-roughnesses, were manufactured using pilot-scale nonwoven facilities to produce samples of comparable structure and dimensional properties. The surface energy and nano-roughness of some lyocell substrates were further adjusted by either oxygen (O2) or hexafluoroethane (C2F6) gas plasma treatment. Static adpression wiping of an inoculated surface under dry conditions produced removal efficiencies of between 9.4% and 15.7%, with no significant difference (p < 0.05) in the relative removal efficiencies of Escherichia coli, Staphylococcus aureus or Enterococcus faecalis. However, dynamic wiping markedly increased peak wiping efficiencies to over 50%, with a minimum increase in removal efficiency of 12.5% and a maximum increase in removal efficiency of 37.9% (all significant at p < 0.05) compared with static wiping, depending on fibre type and bacterium. In dry, dynamic wiping conditions, nonwoven wipe substrates with a surface energy closest to that of the contaminated surface produced the highest E. coli removal efficiency, while the associated increase in fibre nano-roughness abrogated this trend with S. aureus and E. faecalis.

  5. Highly Efficient Green-Emitting Phosphors Ba2Y5B5O17 with Low Thermal Quenching Due to Fast Energy Transfer from Ce3+ to Tb3.

    PubMed

    Xiao, Yu; Hao, Zhendong; Zhang, Liangliang; Xiao, Wenge; Wu, Dan; Zhang, Xia; Pan, Guo-Hui; Luo, Yongshi; Zhang, Jiahua

    2017-04-17

    This paper demonstrates a highly thermally stable and efficient green-emitting Ba 2 Y 5 B 5 O 17 :Ce 3+ , Tb 3+ phosphor prepared by high-temperature solid-state reaction. The phosphor exhibits a blue emission band of Ce 3+ and green emission lines of Tb 3+ upon Ce 3+ excitation in the near-UV spectral region. The effect of Ce 3+ to Tb 3+ energy transfer on blue to green emission color tuning and on luminescence thermal stability is studied in the samples codoped with 1% Ce 3+ and various concentrations (0-40%) of Tb 3+ . The green emission of Tb 3+ upon Ce 3+ excitation at 150 °C can keep, on average, 92% of its intensity at room temperature, with the best one showing no intensity decreasing up to 210 °C for 30% Tb 3+ . Meanwhile, Ce 3+ emission intensity only keeps 42% on average at 150 °C. The high thermal stability of the green emission is attributed to suppression of Ce 3+ thermal de-excitation through fast energy transfer to Tb 3+ , which in the green-emitting excited states is highly thermally stable such that no lifetime shortening is observed with raising temperature to 210 °C. The predominant green emission is observed for Tb 3+ concentration of at least 10% due to efficient energy transfer with the transfer efficiency approaching 100% for 40% Tb 3+ . The internal and external quantum yield of the sample with Tb 3+ concentration of 20% can be as high as 76% and 55%, respectively. The green phosphor, thus, shows attractive performance for near-UV-based white-light-emitting diodes applications.

  6. Hierarchical Coupling of First-Principles Molecular Dynamics with Advanced Sampling Methods.

    PubMed

    Sevgen, Emre; Giberti, Federico; Sidky, Hythem; Whitmer, Jonathan K; Galli, Giulia; Gygi, Francois; de Pablo, Juan J

    2018-05-14

    We present a seamless coupling of a suite of codes designed to perform advanced sampling simulations, with a first-principles molecular dynamics (MD) engine. As an illustrative example, we discuss results for the free energy and potential surfaces of the alanine dipeptide obtained using both local and hybrid density functionals (DFT), and we compare them with those of a widely used classical force field, Amber99sb. In our calculations, the efficiency of first-principles MD using hybrid functionals is augmented by hierarchical sampling, where hybrid free energy calculations are initiated using estimates obtained with local functionals. We find that the free energy surfaces obtained from classical and first-principles calculations differ. Compared to DFT results, the classical force field overestimates the internal energy contribution of high free energy states, and it underestimates the entropic contribution along the entire free energy profile. Using the string method, we illustrate how these differences lead to different transition pathways connecting the metastable minima of the alanine dipeptide. In larger peptides, those differences would lead to qualitatively different results for the equilibrium structure and conformation of these molecules.

  7. Methods for Efficiently and Accurately Computing Quantum Mechanical Free Energies for Enzyme Catalysis.

    PubMed

    Kearns, F L; Hudson, P S; Boresch, S; Woodcock, H L

    2016-01-01

    Enzyme activity is inherently linked to free energies of transition states, ligand binding, protonation/deprotonation, etc.; these free energies, and thus enzyme function, can be affected by residue mutations, allosterically induced conformational changes, and much more. Therefore, being able to predict free energies associated with enzymatic processes is critical to understanding and predicting their function. Free energy simulation (FES) has historically been a computational challenge as it requires both the accurate description of inter- and intramolecular interactions and adequate sampling of all relevant conformational degrees of freedom. The hybrid quantum mechanical molecular mechanical (QM/MM) framework is the current tool of choice when accurate computations of macromolecular systems are essential. Unfortunately, robust and efficient approaches that employ the high levels of computational theory needed to accurately describe many reactive processes (ie, ab initio, DFT), while also including explicit solvation effects and accounting for extensive conformational sampling are essentially nonexistent. In this chapter, we will give a brief overview of two recently developed methods that mitigate several major challenges associated with QM/MM FES: the QM non-Boltzmann Bennett's acceptance ratio method and the QM nonequilibrium work method. We will also describe usage of these methods to calculate free energies associated with (1) relative properties and (2) along reaction paths, using simple test cases with relevance to enzymes examples. © 2016 Elsevier Inc. All rights reserved.

  8. Modelling and characterization of photothermal effects assisted with gold nanorods in ex vivo samples and in a murine model

    NASA Astrophysics Data System (ADS)

    Lamela Rivera, Horacio; Rodríguez Jara, Félix; Cunningham, Vincent

    2011-03-01

    We discuss in this article the implementation of a laser-tissue interaction and bioheat-transfer 2-D finite-element model for Photothermal Therapy assisted with Gold Nanorods. We have selected Gold Nanorods as absorbing nanostructures in order to improve the efficiency of using compact diode lasers because of their high opto-thermal conversion efficiency at 808 and 850 nm. The goal is to model the distribution of the optical energy among the tissue including the skin absorption effects and the tissue thermal response, with and without the presence of Gold Nanorods. The heat generation due to the optical energy absorption and the thermal propagation will be computationally modeled and optimized. The model has been evaluated and compared with experimental ex-vivo data in fresh chicken muscle samples and in-vivo BALB/c mice animal model.

  9. Free energy calculations: an efficient adaptive biasing potential method.

    PubMed

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

    2010-05-06

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

  10. Free energy landscape from path-sampling: application to the structural transition in LJ38

    NASA Astrophysics Data System (ADS)

    Adjanor, G.; Athènes, M.; Calvo, F.

    2006-09-01

    We introduce a path-sampling scheme that allows equilibrium state-ensemble averages to be computed by means of a biased distribution of non-equilibrium paths. This non-equilibrium method is applied to the case of the 38-atom Lennard-Jones atomic cluster, which has a double-funnel energy landscape. We calculate the free energy profile along the Q4 bond orientational order parameter. At high or moderate temperature the results obtained using the non-equilibrium approach are consistent with those obtained using conventional equilibrium methods, including parallel tempering and Wang-Landau Monte Carlo simulations. At lower temperatures, the non-equilibrium approach becomes more efficient in exploring the relevant inherent structures. In particular, the free energy agrees with the predictions of the harmonic superposition approximation.

  11. Validating a Coarse-Grained Potential Energy Function through Protein Loop Modelling

    PubMed Central

    MacDonald, James T.; Kelley, Lawrence A.; Freemont, Paul S.

    2013-01-01

    Coarse-grained (CG) methods for sampling protein conformational space have the potential to increase computational efficiency by reducing the degrees of freedom. The gain in computational efficiency of CG methods often comes at the expense of non-protein like local conformational features. This could cause problems when transitioning to full atom models in a hierarchical framework. Here, a CG potential energy function was validated by applying it to the problem of loop prediction. A novel method to sample the conformational space of backbone atoms was benchmarked using a standard test set consisting of 351 distinct loops. This method used a sequence-independent CG potential energy function representing the protein using -carbon positions only and sampling conformations with a Monte Carlo simulated annealing based protocol. Backbone atoms were added using a method previously described and then gradient minimised in the Rosetta force field. Despite the CG potential energy function being sequence-independent, the method performed similarly to methods that explicitly use either fragments of known protein backbones with similar sequences or residue-specific /-maps to restrict the search space. The method was also able to predict with sub-Angstrom accuracy two out of seven loops from recently solved crystal structures of proteins with low sequence and structure similarity to previously deposited structures in the PDB. The ability to sample realistic loop conformations directly from a potential energy function enables the incorporation of additional geometric restraints and the use of more advanced sampling methods in a way that is not possible to do easily with fragment replacement methods and also enable multi-scale simulations for protein design and protein structure prediction. These restraints could be derived from experimental data or could be design restraints in the case of computational protein design. C++ source code is available for download from http://www.sbg.bio.ic.ac.uk/phyre2/PD2/. PMID:23824634

  12. Technology Solutions for Existing Homes Overview: Quantifying the Financial Benefits of Multifamily Retrofits

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

    None

    2016-04-01

    In this project, the U.S. Department of Energy Building America team Partnership for Advanced Residential Retrofit (PARR) worked with Elevate Energy on three tasks: to conduct pre- and post-retrofit analysis on the income and expense data of 13 Chicago-area multifamily buildings, to compare Chicago income and expense data to two national samples, and to explore the ramifications that energy-efficiency retrofits have on nine Chicago-area neighborhoods. The project team collected building, energy, and income and expense data from multiple private and public sources.

  13. Rapid high-resolution spin- and angle-resolved photoemission spectroscopy with pulsed laser source and time-of-flight spectrometer

    NASA Astrophysics Data System (ADS)

    Gotlieb, K.; Hussain, Z.; Bostwick, A.; Lanzara, A.; Jozwiak, C.

    2013-09-01

    A high-efficiency spin- and angle-resolved photoemission spectroscopy (spin-ARPES) spectrometer is coupled with a laboratory-based laser for rapid high-resolution measurements. The spectrometer combines time-of-flight (TOF) energy measurements with low-energy exchange scattering spin polarimetry for high detection efficiencies. Samples are irradiated with fourth harmonic photons generated from a cavity-dumped Ti:sapphire laser that provides high photon flux in a narrow bandwidth, with a pulse timing structure ideally matched to the needs of the TOF spectrometer. The overall efficiency of the combined system results in near-EF spin-resolved ARPES measurements with an unprecedented combination of energy resolution and acquisition speed. This allows high-resolution spin measurements with a large number of data points spanning multiple dimensions of interest (energy, momentum, photon polarization, etc.) and thus enables experiments not otherwise possible. The system is demonstrated with spin-resolved energy and momentum mapping of the L-gap Au(111) surface states, a prototypical Rashba system. The successful integration of the spectrometer with the pulsed laser system demonstrates its potential for simultaneous spin- and time-resolved ARPES with pump-probe based measurements.

  14. Thermochemical CO2 splitting via redox cycling of ceria reticulated foam structures with dual-scale porosities.

    PubMed

    Furler, Philipp; Scheffe, Jonathan; Marxer, Daniel; Gorbar, Michal; Bonk, Alexander; Vogt, Ulrich; Steinfeld, Aldo

    2014-06-14

    Efficient heat transfer of concentrated solar energy and rapid chemical kinetics are desired characteristics of solar thermochemical redox cycles for splitting CO2. We have fabricated reticulated porous ceramic (foam-type) structures made of ceria with dual-scale porosity in the millimeter and micrometer ranges. The larger void size range, with dmean = 2.5 mm and porosity = 0.76-0.82, enables volumetric absorption of concentrated solar radiation for efficient heat transfer to the reaction site during endothermic reduction, while the smaller void size range within the struts, with dmean = 10 μm and strut porosity = 0-0.44, increases the specific surface area for enhanced reaction kinetics during exothermic oxidation with CO2. Characterization is performed via mercury intrusion porosimetry, scanning electron microscopy, and thermogravimetric analysis (TGA). Samples are thermally reduced at 1773 K and subsequently oxidized with CO2 at temperatures in the range 873-1273 K. On average, CO production rates are ten times higher for samples with 0.44 strut porosity than for samples with non-porous struts. The oxidation rate scales with specific surface area and the apparent activation energy ranges from 90 to 135.7 kJ mol(-1). Twenty consecutive redox cycles exhibited stable CO production yield per cycle. Testing of the dual-scale RPC in a solar cavity-receiver exposed to high-flux thermal radiation (3.8 kW radiative power at 3015 suns) corroborated the superior performance observed in the TGA, yielding a shorter cycle time and a mean solar-to-fuel energy conversion efficiency of 1.72%.

  15. Exploring Valleys without Climbing Every Peak: More Efficient and Forgiving Metabasin Metadynamics via Robust On-the-Fly Bias Domain Restriction

    DOE PAGES

    Dama, James F.; Hocky, Glen M.; Sun, Rui; ...

    2015-11-03

    Metadynamics is an enhanced sampling method designed to flatten free energy surfaces uniformly. However, the highest-energy regions are often irrelevant to study and dangerous to explore because systems often respond irreversibly in unforeseen ways in response to driving forces in these regions, spoiling the sampling. Introducing an on-the-fly domain restriction allows metadynamics to flatten only up to a specified energy level and no further, improving efficiency and safety while decreasing the pressure on practitioners to design collective variables that are robust to otherwise irrelevant high energy driving. Here this paper describes a new method that achieves this using sequential on-the-flymore » estimation of energy wells and redefinition of the metadynamics hill shape, termed metabasin metadynamics. The energy level may be defined a priori or relative to unknown barrier energies estimated on the fly. Altering only the hill ensures that the method is compatible with many other advances in metadynamics methodology. The hill shape has a natural interpretation in terms of multiscale dynamics and the computational overhead in simulation is minimal when studying systems of any reasonable size, for instance proteins or other macromolecules. Ultimately, three example applications show that the formula is accurate and robust to complex dynamics, making metadynamics significantly more forgiving with respect to CV quality and thus more feasible to apply to the most challenging biomolecular systems.« less

  16. A two-stage stochastic optimization model for scheduling electric vehicle charging loads to relieve distribution-system constraints

    DOE PAGES

    Wu, Fei; Sioshansi, Ramteen

    2017-05-25

    Electric vehicles (EVs) hold promise to improve the energy efficiency and environmental impacts of transportation. However, widespread EV use can impose significant stress on electricity-distribution systems due to their added charging loads. This paper proposes a centralized EV charging-control model, which schedules the charging of EVs that have flexibility. This flexibility stems from EVs that are parked at the charging station for a longer duration of time than is needed to fully recharge the battery. The model is formulated as a two-stage stochastic optimization problem. The model captures the use of distributed energy resources and uncertainties around EV arrival timesmore » and charging demands upon arrival, non-EV loads on the distribution system, energy prices, and availability of energy from the distributed energy resources. We use a Monte Carlo-based sample-average approximation technique and an L-shaped method to solve the resulting optimization problem efficiently. We also apply a sequential sampling technique to dynamically determine the optimal size of the randomly sampled scenario tree to give a solution with a desired quality at minimal computational cost. Here, we demonstrate the use of our model on a Central-Ohio-based case study. We show the benefits of the model in reducing charging costs, negative impacts on the distribution system, and unserved EV-charging demand compared to simpler heuristics. Lastly, we also conduct sensitivity analyses, to show how the model performs and the resulting costs and load profiles when the design of the station or EV-usage parameters are changed.« less

  17. Ultrasound enhanced glucose release from corn in ethanol plants.

    PubMed

    Khanal, Samir Kumar; Montalbo, Melissa; van Leeuwen, J; Srinivasan, Gowrishankar; Grewell, David

    2007-12-01

    This work evaluated the use of high power ultrasonic energy to treat corn slurry in dry corn milling ethanol plants to enhance liquefaction and saccharification for ethanol production. Corn slurry samples obtained before and after jet cooking were subjected to ultrasonic pretreatment for 20 and 40 s at amplitudes of vibration ranging from 180 to 299 microm(pp) (peak to peak amplitude in microm). The resulting samples were then exposed to enzymes (alpha-amylase and glucoamylase) to convert cornstarch into glucose. A comparison of scanning electron micrographs of raw and sonicated samples showed the development of micropores and the disruption of cell walls in corn mash. The corn particle size declined nearly 20-fold following ultrasonic treatment at high power settings. The glucose release rate from sonicated samples increased as much as threefold compared to the control group. The efficiency of ultrasound exceeded 100% in terms of energy gain from the sugar released over the ultrasonic energy supplied. Enzymatic activity was enhanced when the corn slurry was sonicated with simultaneous addition of enzymes. This finding suggests that the ultrasonic energy did not degrade or denature the enzymes during the pretreatment.

  18. Energy efficiency effect on the public street lighting by using LED light replacement and kwh-meter installation at DKI Jakarta Province, Indonesia

    NASA Astrophysics Data System (ADS)

    Sudarmono, Panggih; Deendarlianto; Widyaparaga, Adhika

    2018-05-01

    Public street lighting consumes large energy for the public interest, but many street lights still do not use energy-saving technologies. In 2014, Provincial Government of DKI Jakarta operated 179,305 units of street lights. Of the number of installed armature, 92 % of them or 166,441 units are HPS (High-Pressure Sodium) armatures which are inefficient. In 2016, the Provincial Government of DKI Jakarta cut down the energy used for street lighting, by implementing the programs of kWh-meter installation in every street lighting panel and use energy-saving lamps equipped with the smart system. The Provincial Government of DKI Jakarta is registered with 6,399 customer IDs in PLN (State Owned Electric Company), and gradually carried out the kWh Meter installation and changes to the contract. The program to use energy-saving lights done by replacing the HPS armature that is not energy efficient to LED armature which is known to be energy efficient. Until the end of 2016, the number of armatures that has been replaced was 89,417 units. The research results on 25 samples of PLN customer IDs and the replacement of 2,162 units armature, showed that the energy efficiency through kWh meter installation and armature replacement reduce the power consumption from 330,414 kWh to 71,278 kWh or by 78.43%. Generally, there was a decrease in the value of electricity bill compared to the before the replacement. The program of kWh-meter installations and replacement of the armature has a payback period of 2.66 years.

  19. Calculation of the Local Free Energy Landscape in the Restricted Region by the Modified Tomographic Method.

    PubMed

    Chen, Changjun

    2016-03-31

    The free energy landscape is the most important information in the study of the reaction mechanisms of the molecules. However, it is difficult to calculate. In a large collective variable space, a molecule must take a long time to obtain the sufficient sampling during the simulation. To save the calculation quantity, decreasing the sampling region and constructing the local free energy landscape is required in practice. However, the restricted region in the collective variable space may have an irregular shape. Simply restricting one or more collective variables of the molecule cannot satisfy the requirement. In this paper, we propose a modified tomographic method to perform the simulation. First, it divides the restricted region by some hyperplanes and connects the centers of hyperplanes together by a curve. Second, it forces the molecule to sample on the curve and the hyperplanes in the simulation and calculates the free energy data on them. Finally, all the free energy data are combined together to form the local free energy landscape. Without consideration of the area outside the restricted region, this free energy calculation can be more efficient. By this method, one can further optimize the path quickly in the collective variable space.

  20. Basic Research on Seismic and Infrasonic Monitoring of the European Arctic

    DTIC Science & Technology

    2010-09-01

    efficient high-frequency seismic energy propagation characteristics of the Barents Sea area. Seismic and infrasound signals at ARCES have recently been...detected since June 2006 have been associated with infrasound detections at ARCES and at stations of the infrasound networks of Sweden, Finland, and...efficient generators of infrasound than the military munitions explosions at Hukkakero, the blasts occur throughout the year and so will sample a far

  1. Measuring and explaining eco-efficiencies of wastewater treatment plants in China: An uncertainty analysis perspective.

    PubMed

    Dong, Xin; Zhang, Xinyi; Zeng, Siyu

    2017-04-01

    In the context of sustainable development, there has been an increasing requirement for an eco-efficiency assessment of wastewater treatment plants (WWTPs). Data envelopment analysis (DEA), a technique that is widely applied for relative efficiency assessment, is used in combination with the tolerances approach to handle WWTPs' multiple inputs and outputs as well as their uncertainty. The economic cost, energy consumption, contaminant removal, and global warming effect during the treatment processes are integrated to interpret the eco-efficiency of WWTPs. A total of 736 sample plants from across China are assessed, and large sensitivities to variations in inputs and outputs are observed for most samples, with only three WWTPs identified as being stably efficient. Size of plant, overcapacity, climate type, and influent characteristics are proven to have a significant influence on both the mean efficiency and performance sensitivity of WWTPs, while no clear relationships were found between eco-efficiency and technology under the framework of uncertainty analysis. The incorporation of uncertainty quantification and environmental impact consideration has improved the liability and applicability of the assessment. Copyright © 2017 Elsevier Ltd. All rights reserved.

  2. High-sensitivity ESCA instrument

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

    Davies, R.D.; Herglotz, H.K.; Lee, J.D.

    1973-01-01

    A new electron spectroscopy for chemical analysis (ESCA) instrument has been developed to provide high sensitivity and efficient operation for laboratory analysis of composition and chemical bonding in very thin surface layers of solid samples. High sensitivity is achieved by means of the high-intensity, efficient x-ray source described by Davies and Herglotz at the 1968 Denver X-Ray Conference, in combination with the new electron energy analyzer described by Lee at the 1972 Pittsburgh Conference on Analytical Chemistry and Applied Spectroscopy. A sample chamber designed to provide for rapid introduction and replacement of samples has adequate facilities for various sample treatmentsmore » and conditiouing followed immediately by ESCA analysis of the sample. Examples of application are presented, demonstrating the sensitivity and resolution achievable with this instrument. Its usefulness in trace surface analysis is shown and some chemical shifts'' measured by the instrument are compared with those obtained by x-ray spectroscopy. (auth)« less

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

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

    Roberson, Judy A.; Homan, Gregory K.; Mahajan, Akshay

    2002-07-23

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

  4. Mechanosensing Potentials Gate Fuel Consumption in a Bipedal DNA Nanowalker

    NASA Astrophysics Data System (ADS)

    Tee, Shern Ren; Hu, Xinpeng; Loh, Iong Ying; Wang, Zhisong

    2018-03-01

    A bipedal DNA nanowalker was recently reported to convert chemical energy into directional motion autonomously and efficiently. To elucidate its chemomechanical coupling mechanisms, three-dimensional molecular modeling is used to obtain coarse-grained foot-track binding potentials of the DNA nanowalker via unbiased and biased sampling techniques (for the potentials' basin and high-energy edges, respectively). The binding state that is protected against fuel-induced dissociation responds asymmetrically to forward versus backward forces, unlike the unprotected state, demonstrating a mechanosensing capability to gate fuel binding. Despite complex DNA mechanics, the foot-track potential exhibits a surprisingly neat three-part profile, offering some general guidelines to rationally design efficient nanowalkers. Subsequent modeling of the bipedal walker attached to the track gives estimates of the free energy for each bipedal state, showing how the mechanosensing foot-track binding breaks the symmetry between the rear and front feet, enabling the rear foot to be selectively dissociated by fuel and generating efficient chemomechanical coupling.

  5. Conformational free energies of methyl-α-L-iduronic and methyl-β-D-glucuronic acids in water

    NASA Astrophysics Data System (ADS)

    Babin, Volodymyr; Sagui, Celeste

    2010-03-01

    We present a simulation protocol that allows for efficient sampling of the degrees of freedom of a solute in explicit solvent. The protocol involves using a nonequilibrium umbrella sampling method, in this case, the recently developed adaptively biased molecular dynamics method, to compute an approximate free energy for the slow modes of the solute in explicit solvent. This approximate free energy is then used to set up a Hamiltonian replica exchange scheme that samples both from biased and unbiased distributions. The final accurate free energy is recovered via the weighted histogram analysis technique applied to all the replicas, and equilibrium properties of the solute are computed from the unbiased trajectory. We illustrate the approach by applying it to the study of the puckering landscapes of the methyl glycosides of α-L-iduronic acid and its C5 epimer β-D-glucuronic acid in water. Big savings in computational resources are gained in comparison to the standard parallel tempering method.

  6. Conformational free energies of methyl-alpha-L-iduronic and methyl-beta-D-glucuronic acids in water.

    PubMed

    Babin, Volodymyr; Sagui, Celeste

    2010-03-14

    We present a simulation protocol that allows for efficient sampling of the degrees of freedom of a solute in explicit solvent. The protocol involves using a nonequilibrium umbrella sampling method, in this case, the recently developed adaptively biased molecular dynamics method, to compute an approximate free energy for the slow modes of the solute in explicit solvent. This approximate free energy is then used to set up a Hamiltonian replica exchange scheme that samples both from biased and unbiased distributions. The final accurate free energy is recovered via the weighted histogram analysis technique applied to all the replicas, and equilibrium properties of the solute are computed from the unbiased trajectory. We illustrate the approach by applying it to the study of the puckering landscapes of the methyl glycosides of alpha-L-iduronic acid and its C5 epimer beta-D-glucuronic acid in water. Big savings in computational resources are gained in comparison to the standard parallel tempering method.

  7. Leap-dynamics: efficient sampling of conformational space of proteins and peptides in solution.

    PubMed

    Kleinjung, J; Bayley, P; Fraternali, F

    2000-03-31

    A molecular simulation scheme, called Leap-dynamics, that provides efficient sampling of protein conformational space in solution is presented. The scheme is a combined approach using a fast sampling method, imposing conformational 'leaps' to force the system over energy barriers, and molecular dynamics (MD) for refinement. The presence of solvent is approximated by a potential of mean force depending on the solvent accessible surface area. The method has been successfully applied to N-acetyl-L-alanine-N-methylamide (alanine dipeptide), sampling experimentally observed conformations inaccessible to MD alone under the chosen conditions. The method predicts correctly the increased partial flexibility of the mutant Y35G compared to native bovine pancreatic trypsin inhibitor. In particular, the improvement over MD consists of the detection of conformational flexibility that corresponds closely to slow motions identified by nuclear magnetic resonance techniques.

  8. 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

  9. Solar Cell Polymer Based Active Ingredients PPV and PCBM

    NASA Astrophysics Data System (ADS)

    Hardeli, H.; Sanjaya, H.; Resikarnila, R.; Nitami H, R.

    2018-04-01

    A polymer solar cell is a solar cell based on a polymer bulk heterojunction structure using the method of thin film, which can convert solar energy into electrical energy. Absorption of light is carried by active material layer PPV: PCBM. This study aims to make solar cells tandem and know the value of converting solar energy into electrical energy and increase the value of efficiency generated through morphological control, ie annealing temperature and the ratio of active layer mixture. The active layer is positioned above the PEDOT:PSS layer on ITO glass substrate. The characterization results show the surface morphology of the PPV:PCBM active layer is quite evenly at annealing temperature of 165 ° C. The result of conversion of electrical energy with a UV light source in annealing samples with temperature 165 ° C is 0.03 mA and voltage of 4.085 V with an efficiency of 2.61% and mixed ratio variation was obtained in comparison of P3HT: PCBM is 1: 3

  10. Machine learning of accurate energy-conserving molecular force fields.

    PubMed

    Chmiela, Stefan; Tkatchenko, Alexandre; Sauceda, Huziel E; Poltavsky, Igor; Schütt, Kristof T; Müller, Klaus-Robert

    2017-05-01

    Using conservation of energy-a fundamental property of closed classical and quantum mechanical systems-we develop an efficient gradient-domain machine learning (GDML) approach to construct accurate molecular force fields using a restricted number of samples from ab initio molecular dynamics (AIMD) trajectories. The GDML implementation is able to reproduce global potential energy surfaces of intermediate-sized molecules with an accuracy of 0.3 kcal mol -1 for energies and 1 kcal mol -1 Å̊ -1 for atomic forces using only 1000 conformational geometries for training. We demonstrate this accuracy for AIMD trajectories of molecules, including benzene, toluene, naphthalene, ethanol, uracil, and aspirin. The challenge of constructing conservative force fields is accomplished in our work by learning in a Hilbert space of vector-valued functions that obey the law of energy conservation. The GDML approach enables quantitative molecular dynamics simulations for molecules at a fraction of cost of explicit AIMD calculations, thereby allowing the construction of efficient force fields with the accuracy and transferability of high-level ab initio methods.

  11. Technology change and energy consumption: A comparison of residential subdivisions

    NASA Astrophysics Data System (ADS)

    Nieves, L. A.; Nieves, A. L.

    The energy savings in residential buildings likely to result from implementation of the building energy performance standards (BEPS) were assessed. The goals were to: compare energy use in new homes designed to meet or exceed BEPS levels of energy efficiency with that in similar but older homes designed to meet conventional building codes, and to survey the home owners regarding their energy conservation attitudes and behaviors and to ascertain the degree to which conservation attitudes and behaviors are related to residential energy use. The consumer demand theory which provides the framework for the empirical analysis is presented. The sample residences are described and the data collection method discussed. The definition and measurement of major variables are presented.

  12. A paradigm for viewing biologic systems as scale-free networks based on energy efficiency: implications for present therapies and the future of evolution.

    PubMed

    Yun, Anthony J; Lee, Patrick Y; Doux, John D

    2006-01-01

    A network constitutes an abstract description of the relationships among entities, respectively termed links and nodes. If a power law describes the probability distribution of the number of links per node, the network is said to be scale-free. Scale-free networks feature link clustering around certain hubs based on preferential attachments that emerge due either to merit or legacy. Biologic systems ranging from sub-atomic to ecosystems represent scale-free networks in which energy efficiency forms the basis of preferential attachments. This paradigm engenders a novel scale-free network theory of evolution based on energy efficiency. As environmental flux induces fitness dislocations and compels a new meritocracy, new merit-based hubs emerge, previously merit-based hubs become legacy hubs, and network recalibration occurs to achieve system optimization. To date, Darwinian evolution, characterized by innovation sampling, variation, and selection through filtered termination, has enabled biologic progress through optimization of energy efficiency. However, as humans remodel their environment, increasing the level of unanticipated fitness dislocations and inducing evolutionary stress, the tendency of networks to exhibit inertia and retain legacy hubs engender maladaptations. Many modern diseases may fundamentally derive from these evolutionary displacements. Death itself may constitute a programmed adaptation, terminating individuals who represent legacy hubs and recalibrating the network. As memes replace genes as the basis of innovation, death itself has become a legacy hub. Post-Darwinian evolution may favor indefinite persistence to optimize energy efficiency. We describe strategies to reprogram or decommission legacy hubs that participate in human disease and death.

  13. Direct work function measurement by gas phase photoelectron spectroscopy and its application on PbS nanoparticles.

    PubMed

    Axnanda, Stephanus; Scheele, Marcus; Crumlin, Ethan; Mao, Baohua; Chang, Rui; Rani, Sana; Faiz, Mohamed; Wang, Suidong; Alivisatos, A Paul; Liu, Zhi

    2013-01-01

    Work function is a fundamental property of a material's surface. It is playing an ever more important role in engineering new energy materials and efficient energy devices, especially in the field of photovoltaic devices, catalysis, semiconductor heterojunctions, nanotechnology, and electrochemistry. Using ambient pressure X-ray photoelectron spectroscopy (APXPS), we have measured the binding energies of core level photoelectrons of Ar gas in the vicinity of several reference materials with known work functions (Au(111), Pt(111), graphite) and PbS nanoparticles. We demonstrate an unambiguously negative correlation between the work functions of reference samples and the binding energies of Ar 2p core level photoelectrons detected from the Ar gas near the sample surface region. Using this experimentally determined linear relationship between the surface work function and Ar gas core level photoelectron binding energy, we can measure the surface work function of different materials under different gas environments. To demonstrate the potential applications of this ambient pressure XPS technique in nanotechnology and solar energy research, we investigate the work functions of PbS nanoparticles with various capping ligands: methoxide, mercaptopropionic acid, and ethanedithiol. Significant Fermi level position changes are observed for PbS nanoparticles when the nanoparticle size and capping ligands are varied. The corresponding changes in the valence band maximum illustrate that an efficient quantum dot solar cell design has to take into account the electrochemical effect of the capping ligand as well.

  14. Energy efficiency in cognitive radio network: Study of cooperative sensing using different channel sensing methods

    NASA Astrophysics Data System (ADS)

    Cui, Chenxuan

    When cognitive radio (CR) operates, it starts by sensing spectrum and looking for idle bandwidth. There are several methods for CR to make a decision on either the channel is occupied or idle, for example, energy detection scheme, cyclostationary detection scheme and matching filtering detection scheme [1]. Among them, the most common method is energy detection scheme because of its algorithm and implementation simplicities [2]. There are two major methods for sensing, the first one is to sense single channel slot with varying bandwidth, whereas the second one is to sense multiple channels and each with same bandwidth. After sensing periods, samples are compared with a preset detection threshold and a decision is made on either the primary user (PU) is transmitting or not. Sometimes the sensing and decision results can be erroneous, for example, false alarm error and misdetection error may occur. In order to better control error probabilities and improve CR network performance (i.e. energy efficiency), we introduce cooperative sensing; in which several CR within a certain range detect and make decisions on channel availability together. The decisions are transmitted to and analyzed by a data fusion center (DFC) to make a final decision on channel availability. After the final decision is been made, DFC sends back the decision to the CRs in order to tell them to stay idle or start to transmit data to secondary receiver (SR) within a preset transmission time. After the transmission, a new cycle starts again with sensing. This thesis report is organized as followed: Chapter II review some of the papers on optimizing CR energy efficiency. In Chapter III, we study how to achieve maximal energy efficiency when CR senses single channel with changing bandwidth and with constrain on misdetection threshold in order to protect PU; furthermore, a case study is given and we calculate the energy efficiency. In Chapter IV, we study how to achieve maximal energy efficiency when CR senses multiple channels and each channel with same bandwidth, also, we preset a misdetection threshold and calculate the energy efficiency. A comparison will be shown between two sensing methods at the end of the chapter. Finally, Chapter V concludes this thesis.

  15. TH-CD-209-10: Scanning Proton Arc Therapy (SPArc) - The First Robust and Delivery-Efficient Spot Scanning Proton Arc Therapy

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

    Ding, X; Li, X; Zhang, J

    Purpose: To develop a delivery-efficient proton spot-scanning arc therapy technique with robust plan quality. Methods: We developed a Scanning Proton Arc(SPArc) optimization algorithm integrated with (1)Control point re-sampling by splitting control point into adjacent sub-control points; (2)Energy layer re-distribution by assigning the original energy layers to the new sub-control points; (3)Energy layer filtration by deleting low MU weighting energy layers; (4)Energy layer re-sampling by sampling additional layers to ensure the optimal solution. A bilateral head and neck oropharynx case and a non-mobile lung target case were tested. Plan quality and total estimated delivery time were compared to original robust optimizedmore » multi-field step-and-shoot arc plan without SPArc optimization (Arcmulti-field) and standard robust optimized Intensity Modulated Proton Therapy(IMPT) plans. Dose-Volume-Histograms (DVH) of target and Organ-at-Risks (OARs) were analyzed along with all worst case scenarios. Total delivery time was calculated based on the assumption of a 360 degree gantry room with 1 RPM rotation speed, 2ms spot switching time, beam current 1nA, minimum spot weighting 0.01 MU, energy-layer-switching-time (ELST) from 0.5 to 4s. Results: Compared to IMPT, SPArc delivered less integral dose(−14% lung and −8% oropharynx). For lung case, SPArc reduced 60% of skin max dose, 35% of rib max dose and 15% of lung mean dose. Conformity Index is improved from 7.6(IMPT) to 4.0(SPArc). Compared to Arcmulti-field, SPArc reduced number of energy layers by 61%(276 layers in lung) and 80%(1008 layers in oropharynx) while kept the same robust plan quality. With ELST from 0.5s to 4s, it reduced 55%–60% of Arcmulti-field delivery time for the lung case and 56%–67% for the oropharynx case. Conclusion: SPArc is the first robust and delivery-efficient proton spot-scanning arc therapy technique which could be implemented in routine clinic. For modern proton machine with ELST close to 0.5s, SPArc would be a popular treatment option for both single and multi-room center.« less

  16. Correlated histogram representation of Monte Carlo derived medical accelerator photon-output phase space

    DOEpatents

    Schach Von Wittenau, Alexis E.

    2003-01-01

    A method is provided to represent the calculated phase space of photons emanating from medical accelerators used in photon teletherapy. The method reproduces the energy distributions and trajectories of the photons originating in the bremsstrahlung target and of photons scattered by components within the accelerator head. The method reproduces the energy and directional information from sources up to several centimeters in radial extent, so it is expected to generalize well to accelerators made by different manufacturers. The method is computationally both fast and efficient overall sampling efficiency of 80% or higher for most field sizes. The computational cost is independent of the number of beams used in the treatment plan.

  17. A one-way shooting algorithm for transition path sampling of asymmetric barriers

    NASA Astrophysics Data System (ADS)

    Brotzakis, Z. Faidon; Bolhuis, Peter G.

    2016-10-01

    We present a novel transition path sampling shooting algorithm for the efficient sampling of complex (biomolecular) activated processes with asymmetric free energy barriers. The method employs a fictitious potential that biases the shooting point toward the transition state. The method is similar in spirit to the aimless shooting technique by Peters and Trout [J. Chem. Phys. 125, 054108 (2006)], but is targeted for use with the one-way shooting approach, which has been shown to be more effective than two-way shooting algorithms in systems dominated by diffusive dynamics. We illustrate the method on a 2D Langevin toy model, the association of two peptides and the initial step in dissociation of a β-lactoglobulin dimer. In all cases we show a significant increase in efficiency.

  18. Efficient upconversion emission in Ho3+/Nd3+ co-doped oxyfluorosilicate glasses

    NASA Astrophysics Data System (ADS)

    Devarajulu, G.; Raju, B. Deva Prasad

    2018-04-01

    We report on an efficient Ho3+ and Ho3+/Nd3+ co-doped oxyfluorosilicate glasses upon excitation with an 808 nm laser diode. The detailed fluorescence have been studied under this excitation source and energy transfer mechanisms in Ho3+/Nd3+ co-doped oxyfluorosilicate glasses. The upconversion peaks at 486, 547 and 596 nm were observed in Nd3+/Ho3+ co-doped sample. The intensity of upconversion emission transitions in Ho3+ depends on the neodymium codopent concentration. These results indicate that Nd3+ ions can be potentially used as sensitizer for Ho3+ ions to stimulate the intense upconversion emission. The energy transfer mechanism between Nd3+ and Ho3+ was analyzed pursuant to the absorption spectra, upconversion spectra and the energy level structures of Nd3+ and Ho3+ ions have been briefly discussed.

  19. Efficient and Unbiased Sampling of Biomolecular Systems in the Canonical Ensemble: A Review of Self-Guided Langevin Dynamics

    PubMed Central

    Wu, Xiongwu; Damjanovic, Ana; Brooks, Bernard R.

    2013-01-01

    This review provides a comprehensive description of the self-guided Langevin dynamics (SGLD) and the self-guided molecular dynamics (SGMD) methods and their applications. Example systems are included to provide guidance on optimal application of these methods in simulation studies. SGMD/SGLD has enhanced ability to overcome energy barriers and accelerate rare events to affordable time scales. It has been demonstrated that with moderate parameters, SGLD can routinely cross energy barriers of 20 kT at a rate that molecular dynamics (MD) or Langevin dynamics (LD) crosses 10 kT barriers. The core of these methods is the use of local averages of forces and momenta in a direct manner that can preserve the canonical ensemble. The use of such local averages results in methods where low frequency motion “borrows” energy from high frequency degrees of freedom when a barrier is approached and then returns that excess energy after a barrier is crossed. This self-guiding effect also results in an accelerated diffusion to enhance conformational sampling efficiency. The resulting ensemble with SGLD deviates in a small way from the canonical ensemble, and that deviation can be corrected with either an on-the-fly or a post processing reweighting procedure that provides an excellent canonical ensemble for systems with a limited number of accelerated degrees of freedom. Since reweighting procedures are generally not size extensive, a newer method, SGLDfp, uses local averages of both momenta and forces to preserve the ensemble without reweighting. The SGLDfp approach is size extensive and can be used to accelerate low frequency motion in large systems, or in systems with explicit solvent where solvent diffusion is also to be enhanced. Since these methods are direct and straightforward, they can be used in conjunction with many other sampling methods or free energy methods by simply replacing the integration of degrees of freedom that are normally sampled by MD or LD. PMID:23913991

  20. 7 CFR 1710.255 - Energy efficiency work plans-energy efficiency borrowers.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 7 Agriculture 11 2014-01-01 2014-01-01 false Energy efficiency work plans-energy efficiency... TO ELECTRIC LOANS AND GUARANTEES Construction Work Plans and Related Studies § 1710.255 Energy efficiency work plans—energy efficiency borrowers. (a) All energy efficiency borrowers must maintain a...

  1. Energy saving technologies of the decentralized ventilation of buildings

    NASA Astrophysics Data System (ADS)

    Mansurov, R. Sh; Rafalskaya, T. A.

    2017-11-01

    The growing aspiration to energy saving and efficiency of energy leads to necessity to build tight enough buildings. As a result of this the quantity of infiltration air appears insufficient for realization of necessary air exchange in. One of decisions of the given problem is development and application for ventilation of premises of the decentralized forced-air and exhaust systems (DFAES) with recuperative or regenerative heat-exchangers. For an estimation of efficiency of DFAES following basic parameters have been certain: factor of energy saving; factor of efficiency of energy; factor of a heat transfer; factor of an effective utilization of a surface of heat exchange. Were estimated temperature of forced air; actual speed of an air jet on an entrance in a served zone; actual noise level; the charge of external air. Tests of DFAES were spent in natural conditions at which DFAES influenced all set of factors both an external climate, and an internal microclimate of a premise, and also the arrangement on a wind side or behind wind side of a building, influence of surrounding building, fluctuation of temperature of external air is considered. Proceeding from results and the analysis of the lead researches recommendations have been developed for development and manufacture of new sample of DFAES.

  2. Importance of the accuracy of experimental data in the nonlinear chromatographic determination of adsorption energy distributions

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

    Stanley, B.J.; Guiochon, G.

    1994-11-01

    Adsorption energy distributions (AEDs) are calculated from the classical, fundamental integral equation of adsorption using adsorption isotherms and the expectation-maximization method of parameter estimation. The adsorption isotherms are calculated from nonlinear elution profiles obtained from gas chromatographic data using the characteristic points method of finite concentration chromatography. Porous layer open tubular capillary columns are used to support the adsorbent. The performance of these columns is compared to that of packed columns in terms of their ability to supply accurate isotherm data and AEDs. The effect of the finite column efficiency and the limited loading factor on the accuracy of themore » estimated energy distributions is presented. This accuracy decreases with decreasing efficiency, and approximately 5000 theoretical plates are needed when the loading factor, L[sub f], equals 0.56 for sampling of a unimodal Gaussian distribution. Increasing L[sub f] further increases the contribution of finite efficiency to the AED and causes a divergence at the low-energy endpoint if too high. This occurs as the retention time approaches the holdup time. Data are presented for diethyl ether adsorption on porous silica and its C-18-bonded derivative. 36 refs., 8 figs., 2 tabs.« less

  3. Utilization of visible to NIR light energy by Yb+3, Er+3 and Tm+3 doped BiVO4 for the photocatalytic degradation of methylene blue

    NASA Astrophysics Data System (ADS)

    Regmi, Chhabilal; Kshetri, Yuwaraj K.; Ray, Schindra Kumar; Pandey, Ramesh Prasad; Lee, Soo Wohn

    2017-01-01

    Lanthanide-doped BiVO4 semiconductors with efficient photocatalytic activities over a broad range of the solar light spectrum have been synthesized by the microwave hydrothermal method using ethylenediaminetetraacetic acid (EDTA). The structural, morphological, and optical properties of the as-synthesized samples were evaluated by Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), X-ray powder diffraction (XRD), Raman spectroscopy, FT-IR spectroscopy, UV-vis diffuse reflectance spectroscopy (DRS), and photoluminescence spectroscopy (PL). The chemical compositions were analyzed by X-ray photoelectron spectroscopy (XPS). The toxicity of the samples was measured using Mus musculus skin melanoma cells (B16-F10 (ATCC® CRL-6475™)) and were found to be nontoxic for human cells. The photocatalytic efficiency of the prepared samples was evaluated by methylene blue (MB) degradation. The best photocatalytic activity was shown by BiVO4 with 6:3:3 mol percentage of Yb+3:Er+3:Tm+3 in all solar light spectrum. The synthesized samples possess low band gap energy and a hollow structure suitable for the better photocatalytic activity. The observed NIR photoactivity supports that the upconversion mechanism is involved in the overall photocatalytic process. Therefore, this approach provides a better alternative upconversion material for integral solar light absorption.

  4. Characterization of Dust on Solar Devices in Southern Nevada =

    NASA Astrophysics Data System (ADS)

    Sylva, Jason R.

    Dust can impact the efficiency of solar energy collection devices, and in some arid environments, dust can reduce solar energy efficiency up to 30%. Reducing the impact of dust is therefore critical in the expansion of solar technology throughout regions where solar energy is utilized. Characterization of suspended and settled particulate matter can assist in developing strategies for dust mitigation. With the characterization of suspended and settled particulate in remote, rural, and urban environments, more informed decisions can be made regarding the selection of coating material on solar panels as well as developing cleaning and maintenance procedures. Particulate matter that deposits on a solar surface can potentially interact with solar radiation, precipitation, or even directly with the surface material itself. These interactions could lead to the formation of coatings that reduce/block radiation and/or degrade the integrity of the surface. When you extrapolate these possibilities to a larger scale preliminary characterization of dust will play a vital role when planning the construction of a solar energy facility. A variety of sampling techniques were employed to obtain particulate matter for characterization. These included direct collection of particulates from solar surfaces: via vacuum and wipe sample collection on panels, tacky dot adhesive slides and plain slides that were exposed at different intervals, desert vugs that are natural particulate collectors, as well as high volume air sampling for collection of suspended particulates. High volume air sampling was performed using glass fiber filters and 2 micron stainless steel screens. Direct collection of settled particulates was performed by sampling from solar surfaces, vugs, and by collection on exposed glass surfaces. Collection onto glass surfaces was achieved by setting up a plain microscope slide, tacky dot slides, and panes of glass. The sampling methodology allowed for the collection of samples for analyses using various analytical methods that included Raman microspectroscopy, pyrolysis gas chromatography mass spectrometry, ion chromatography and inductively coupled plasma mass spectrometry. These various methods allow for identification of organic and inorganic components as well the mineral distribution of suspended and settled particulate material. None None None None None

  5. Transmission measurement based on STM observation to detect the penetration depth of low-energy heavy ions in botanic samples.

    PubMed

    Liu, Feng; Wang, Yugang; Xue, Jianming; Wang, Sixue; Du, Guanhua; Zhao, Weijiang

    2003-02-01

    The penetration depth of low-energy heavy ions in botanic samples was detected with a new transmission measurement. In the measurement, highly oriented pyrolytic graphite (HOPG) pieces were placed behind the botanic samples with certain thickness. During the irradiation of heavy ions with energy of tens of keV, the energetic particles transmitted from those samples were received by the HOPG pieces. After irradiation, scanning tunneling microscope (STM) was applied to observe protrusion-like damage induced by these transmitted ions on the surface of the HOPG. The statistical average number density of protrusions and the minimum transmission rate of the low-energy heavy ions can be obtained. The detection efficiency of the new method for low-energy heavy ions was about 0.1-1 and the background in the measurement can be reduced to as low as 1.0 x 10(8) protrusions/cm2. With this method, the penetration depth of the energetic particles was detected to be no less than 60 micrometers in kidney bean slices when the slices were irradiated by 100 keVAr+ ion at the fluence of 5 x 10(16) ions/cm2. c2002 Elsevier Science Ltd. All rights reserved.

  6. Transmission measurement based on STM observation to detect the penetration depth of low-energy heavy ions in botanic samples

    NASA Technical Reports Server (NTRS)

    Liu, Feng; Wang, Yugang; Xue, Jianming; Wang, Sixue; Du, Guanhua; Zhao, Weijiang

    2003-01-01

    The penetration depth of low-energy heavy ions in botanic samples was detected with a new transmission measurement. In the measurement, highly oriented pyrolytic graphite (HOPG) pieces were placed behind the botanic samples with certain thickness. During the irradiation of heavy ions with energy of tens of keV, the energetic particles transmitted from those samples were received by the HOPG pieces. After irradiation, scanning tunneling microscope (STM) was applied to observe protrusion-like damage induced by these transmitted ions on the surface of the HOPG. The statistical average number density of protrusions and the minimum transmission rate of the low-energy heavy ions can be obtained. The detection efficiency of the new method for low-energy heavy ions was about 0.1-1 and the background in the measurement can be reduced to as low as 1.0 x 10(8) protrusions/cm2. With this method, the penetration depth of the energetic particles was detected to be no less than 60 micrometers in kidney bean slices when the slices were irradiated by 100 keVAr+ ion at the fluence of 5 x 10(16) ions/cm2. c2002 Elsevier Science Ltd. All rights reserved.

  7. Pulsed source of ultra low energy positive muons for near-surface μSR studies

    NASA Astrophysics Data System (ADS)

    Bakule, Pavel; Matsuda, Yasuyuki; Miyake, Yasuhiro; Nagamine, Kanetada; Iwasaki, Masahiko; Ikedo, Yutaka; Shimomura, Koichiro; Strasser, Patrick; Makimura, Shunshuke

    2008-01-01

    We have produced a pulsed beam of low energy (ultra slow) polarized positive muons (LE-μ+) and performed several demonstration muon spin rotation/relaxation (μSR) experiments at ISIS RIKEN-RAL muon facility in UK. The energy of the muons implanted into a sample is tuneable between 0.1 keV and 18 keV. This allows us to use muons as local magnetic microprobes on a nanometre scale. The control over the implantation depth is from several nanometres to hundreds of nanometres depending on the sample density and muon energy. The LE-μ+ are produced by two-photon resonant laser ionization of thermal muonium atoms. Currently ∼15 LE-μ+/s with 50% spin polarization are transported to the μSR sample position, where they are focused to a small spot with a diameter of only 4 mm. The overall LE-μ+ generation efficiency of 3 × 10-5 is comparable to that obtained when moderating the muon beam to epithermal energies in simple van der Waals bound solids. In contrast to other methods of LE-μ+ generation, the implantation of the muons into the sample can be externally triggered with the duration of the LE-μ+ pulse being only 7.5 ns. This allows us to measure spin rotation frequencies of up to 40 MHz.

  8. Adaptive sampling strategies with high-throughput molecular dynamics

    NASA Astrophysics Data System (ADS)

    Clementi, Cecilia

    Despite recent significant hardware and software developments, the complete thermodynamic and kinetic characterization of large macromolecular complexes by molecular simulations still presents significant challenges. The high dimensionality of these systems and the complexity of the associated potential energy surfaces (creating multiple metastable regions connected by high free energy barriers) does not usually allow to adequately sample the relevant regions of their configurational space by means of a single, long Molecular Dynamics (MD) trajectory. Several different approaches have been proposed to tackle this sampling problem. We focus on the development of ensemble simulation strategies, where data from a large number of weakly coupled simulations are integrated to explore the configurational landscape of a complex system more efficiently. Ensemble methods are of increasing interest as the hardware roadmap is now mostly based on increasing core counts, rather than clock speeds. The main challenge in the development of an ensemble approach for efficient sampling is in the design of strategies to adaptively distribute the trajectories over the relevant regions of the systems' configurational space, without using any a priori information on the system global properties. We will discuss the definition of smart adaptive sampling approaches that can redirect computational resources towards unexplored yet relevant regions. Our approaches are based on new developments in dimensionality reduction for high dimensional dynamical systems, and optimal redistribution of resources. NSF CHE-1152344, NSF CHE-1265929, Welch Foundation C-1570.

  9. Near-Unity Internal Quantum Efficiency of Luminescent Silicon Nanocrystals with Ligand Passivation.

    PubMed

    Sangghaleh, Fatemeh; Sychugov, Ilya; Yang, Zhenyu; Veinot, Jonathan G C; Linnros, Jan

    2015-07-28

    Spectrally resolved photoluminescence (PL) decays were measured for samples of colloidal, ligand-passivated silicon nanocrystals. These samples have PL emission energies with peak positions in the range ∼1.4-1.8 eV and quantum yields of ∼30-70%. Their ensemble PL decays are characterized by a stretched-exponential decay with a dispersion factor of ∼0.8, which changes to an almost monoexponential character at fixed detection energies. The dispersion factors and decay rates for various detection energies were extracted from spectrally resolved curves using a mathematical approach that excluded the effect of homogeneous line width broadening. Since nonradiative recombination would introduce a random lifetime variation, leading to a stretched-exponential decay for an ensemble, we conclude that the observed monoexponential decay in size-selected ensembles signifies negligible nonradiative transitions of a similar strength to the radiative one. This conjecture is further supported as extracted decay rates agree with radiative rates reported in the literature, suggesting 100% internal quantum efficiency over a broad range of emission wavelengths. The apparent differences in the quantum yields can then be explained by a varying fraction of "dark" or blinking nanocrystals.

  10. A data acquisition protocol for a reactive wireless sensor network monitoring application.

    PubMed

    Aderohunmu, Femi A; Brunelli, Davide; Deng, Jeremiah D; Purvis, Martin K

    2015-04-30

    Limiting energy consumption is one of the primary aims for most real-world deployments of wireless sensor networks. Unfortunately, attempts to optimize energy efficiency are often in conflict with the demand for network reactiveness to transmit urgent messages. In this article, we propose SWIFTNET: a reactive data acquisition scheme. It is built on the synergies arising from a combination of the data reduction methods and energy-efficient data compression schemes. Particularly, it combines compressed sensing, data prediction and adaptive sampling strategies. We show how this approach dramatically reduces the amount of unnecessary data transmission in the deployment for environmental monitoring and surveillance networks. SWIFTNET targets any monitoring applications that require high reactiveness with aggressive data collection and transmission. To test the performance of this method, we present a real-world testbed for a wildfire monitoring as a use-case. The results from our in-house deployment testbed of 15 nodes have proven to be favorable. On average, over 50% communication reduction when compared with a default adaptive prediction method is achieved without any loss in accuracy. In addition, SWIFTNET is able to guarantee reactiveness by adjusting the sampling interval from 5 min up to 15 s in our application domain.

  11. A Data Acquisition Protocol for a Reactive Wireless Sensor Network Monitoring Application

    PubMed Central

    Aderohunmu, Femi A.; Brunelli, Davide; Deng, Jeremiah D.; Purvis, Martin K.

    2015-01-01

    Limiting energy consumption is one of the primary aims for most real-world deployments of wireless sensor networks. Unfortunately, attempts to optimize energy efficiency are often in conflict with the demand for network reactiveness to transmit urgent messages. In this article, we propose SWIFTNET: a reactive data acquisition scheme. It is built on the synergies arising from a combination of the data reduction methods and energy-efficient data compression schemes. Particularly, it combines compressed sensing, data prediction and adaptive sampling strategies. We show how this approach dramatically reduces the amount of unnecessary data transmission in the deployment for environmental monitoring and surveillance networks. SWIFTNET targets any monitoring applications that require high reactiveness with aggressive data collection and transmission. To test the performance of this method, we present a real-world testbed for a wildfire monitoring as a use-case. The results from our in-house deployment testbed of 15 nodes have proven to be favorable. On average, over 50% communication reduction when compared with a default adaptive prediction method is achieved without any loss in accuracy. In addition, SWIFTNET is able to guarantee reactiveness by adjusting the sampling interval from 5 min up to 15 s in our application domain. PMID:25942642

  12. Cobalt and Yttrium Modified TiO2 Nanotubes Based Dye-Sensitized Solar Cells for Solar-Energy Conversion

    NASA Astrophysics Data System (ADS)

    Shabanov, N. S.; Isaev, A. B.; Orudzhev, F. F.; Murliev, E. K.

    2018-01-01

    The solar-energy conversion in eosin-sensitized solar cells based on cobalt and yttrium modified TiO2 nanotubes has been studied.It is established that the doping with metal ions shifts the absorption edge for Co and Y doped titanium dioxide samples to longer and shorter wavelengths, respectively. The efficiency of solar energy conversion depends on the wide bandgap of the semiconductor anode and reaches a maximum (4.4%) for yttrium-doped TiO2 in comparison to that (4.1%) for pure titanium dioxide.

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

    NONE

    The report is an overview of electric energy efficiency programs. It takes a concise look at what states are doing to encourage energy efficiency and how it impacts electric utilities. Energy efficiency programs began to be offered by utilities as a response to the energy crises of the 1970s. These regulatory-driven programs peaked in the early-1990s and then tapered off as deregulation took hold. Today, rising electricity prices, environmental concerns, and national security issues have renewed interest in increasing energy efficiency as an alternative to additional supply. In response, new methods for administering, managing, and delivering energy efficiency programs aremore » being implemented. Topics covered in the report include: Analysis of the benefits of energy efficiency and key methods for achieving energy efficiency; evaluation of the business drivers spurring increased energy efficiency; Discussion of the major barriers to expanding energy efficiency programs; evaluation of the economic impacts of energy efficiency; discussion of the history of electric utility energy efficiency efforts; analysis of the impact of energy efficiency on utility profits and methods for protecting profitability; Discussion of non-utility management of energy efficiency programs; evaluation of major methods to spur energy efficiency - systems benefit charges, resource planning, and resource standards; and, analysis of the alternatives for encouraging customer participation in energy efficiency programs.« less

  14. Computationally Efficient Multiconfigurational Reactive Molecular Dynamics

    PubMed Central

    Yamashita, Takefumi; Peng, Yuxing; Knight, Chris; Voth, Gregory A.

    2012-01-01

    It is a computationally demanding task to explicitly simulate the electronic degrees of freedom in a system to observe the chemical transformations of interest, while at the same time sampling the time and length scales required to converge statistical properties and thus reduce artifacts due to initial conditions, finite-size effects, and limited sampling. One solution that significantly reduces the computational expense consists of molecular models in which effective interactions between particles govern the dynamics of the system. If the interaction potentials in these models are developed to reproduce calculated properties from electronic structure calculations and/or ab initio molecular dynamics simulations, then one can calculate accurate properties at a fraction of the computational cost. Multiconfigurational algorithms model the system as a linear combination of several chemical bonding topologies to simulate chemical reactions, also sometimes referred to as “multistate”. These algorithms typically utilize energy and force calculations already found in popular molecular dynamics software packages, thus facilitating their implementation without significant changes to the structure of the code. However, the evaluation of energies and forces for several bonding topologies per simulation step can lead to poor computational efficiency if redundancy is not efficiently removed, particularly with respect to the calculation of long-ranged Coulombic interactions. This paper presents accurate approximations (effective long-range interaction and resulting hybrid methods) and multiple-program parallelization strategies for the efficient calculation of electrostatic interactions in reactive molecular simulations. PMID:25100924

  15. Fusion energy for space missions in the 21st century: Executive summary

    NASA Technical Reports Server (NTRS)

    Schulze, Norman R.

    1991-01-01

    Future space missions were hypothesized and analyzed, and the energy source of their accomplishment investigated. The missions included manned Mars, scientific outposts to and robotic sample return missions from the outer planets and asteroids, as well as fly-by and rendezvous missions with the Oort Cloud and the nearest star, Alpha Centauri. Space system parametric requirements and operational features were established. The energy means for accomplishing missions where delta v requirements range from 90 km/sec to 30,000 km/sec (High Energy Space Mission) were investigated. The need to develop a power space of this magnitude is a key issue to address if the U.S. civil space program is to continue to advance as mandated by the National Space Policy. Potential energy options which could provide the propulsion and electrical power system and operational requirements were reviewed and evaluated. Fusion energy was considered to be the preferred option and was analyzed in depth. Candidate fusion fuels were evaluated based upon the energy output and neutron flux. Additionally, fusion energy can offer significant safety, environmental, economic, and operational advantages. Reactors exhibiting a highly efficient use of magnetic fields for space use while at the same time offering efficient coupling to an exhaust propellant or to a direct energy convertor for efficient electrical production were examined. Near term approaches were identified. A strategy that will produce fusion powered vehicles as part of the space transportation infrastructure was developed. Space program resources must be directed toward this issue as a matter of the top policy priority.

  16. Foundations and latest advances in replica exchange transition interface sampling.

    PubMed

    Cabriolu, Raffaela; Skjelbred Refsnes, Kristin M; Bolhuis, Peter G; van Erp, Titus S

    2017-10-21

    Nearly 20 years ago, transition path sampling (TPS) emerged as an alternative method to free energy based approaches for the study of rare events such as nucleation, protein folding, chemical reactions, and phase transitions. TPS effectively performs Monte Carlo simulations with relatively short molecular dynamics trajectories, with the advantage of not having to alter the actual potential energy surface nor the underlying physical dynamics. Although the TPS approach also introduced a methodology to compute reaction rates, this approach was for a long time considered theoretically attractive, providing the exact same results as extensively long molecular dynamics simulations, but still expensive for most relevant applications. With the increase of computer power and improvements in the algorithmic methodology, quantitative path sampling is finding applications in more and more areas of research. In particular, the transition interface sampling (TIS) and the replica exchange TIS (RETIS) algorithms have, in turn, improved the efficiency of quantitative path sampling significantly, while maintaining the exact nature of the approach. Also, open-source software packages are making these methods, for which implementation is not straightforward, now available for a wider group of users. In addition, a blooming development takes place regarding both applications and algorithmic refinements. Therefore, it is timely to explore the wide panorama of the new developments in this field. This is the aim of this article, which focuses on the most efficient exact path sampling approach, RETIS, as well as its recent applications, extensions, and variations.

  17. Foundations and latest advances in replica exchange transition interface sampling

    NASA Astrophysics Data System (ADS)

    Cabriolu, Raffaela; Skjelbred Refsnes, Kristin M.; Bolhuis, Peter G.; van Erp, Titus S.

    2017-10-01

    Nearly 20 years ago, transition path sampling (TPS) emerged as an alternative method to free energy based approaches for the study of rare events such as nucleation, protein folding, chemical reactions, and phase transitions. TPS effectively performs Monte Carlo simulations with relatively short molecular dynamics trajectories, with the advantage of not having to alter the actual potential energy surface nor the underlying physical dynamics. Although the TPS approach also introduced a methodology to compute reaction rates, this approach was for a long time considered theoretically attractive, providing the exact same results as extensively long molecular dynamics simulations, but still expensive for most relevant applications. With the increase of computer power and improvements in the algorithmic methodology, quantitative path sampling is finding applications in more and more areas of research. In particular, the transition interface sampling (TIS) and the replica exchange TIS (RETIS) algorithms have, in turn, improved the efficiency of quantitative path sampling significantly, while maintaining the exact nature of the approach. Also, open-source software packages are making these methods, for which implementation is not straightforward, now available for a wider group of users. In addition, a blooming development takes place regarding both applications and algorithmic refinements. Therefore, it is timely to explore the wide panorama of the new developments in this field. This is the aim of this article, which focuses on the most efficient exact path sampling approach, RETIS, as well as its recent applications, extensions, and variations.

  18. Accounting for receptor flexibility and enhanced sampling methods in computer-aided drug design.

    PubMed

    Sinko, William; Lindert, Steffen; McCammon, J Andrew

    2013-01-01

    Protein flexibility plays a major role in biomolecular recognition. In many cases, it is not obvious how molecular structure will change upon association with other molecules. In proteins, these changes can be major, with large deviations in overall backbone structure, or they can be more subtle as in a side-chain rotation. Either way the algorithms that predict the favorability of biomolecular association require relatively accurate predictions of the bound structure to give an accurate assessment of the energy involved in association. Here, we review a number of techniques that have been proposed to accommodate receptor flexibility in the simulation of small molecules binding to protein receptors. We investigate modifications to standard rigid receptor docking algorithms and also explore enhanced sampling techniques, and the combination of free energy calculations and enhanced sampling techniques. The understanding and allowance for receptor flexibility are helping to make computer simulations of ligand protein binding more accurate. These developments may help improve the efficiency of drug discovery and development. Efficiency will be essential as we begin to see personalized medicine tailored to individual patients, which means specific drugs are needed for each patient's genetic makeup. © 2012 John Wiley & Sons A/S.

  19. Simultaneous escaping of explicit and hidden free energy barriers: application of the orthogonal space random walk strategy in generalized ensemble based conformational sampling.

    PubMed

    Zheng, Lianqing; Chen, Mengen; Yang, Wei

    2009-06-21

    To overcome the pseudoergodicity problem, conformational sampling can be accelerated via generalized ensemble methods, e.g., through the realization of random walks along prechosen collective variables, such as spatial order parameters, energy scaling parameters, or even system temperatures or pressures, etc. As usually observed, in generalized ensemble simulations, hidden barriers are likely to exist in the space perpendicular to the collective variable direction and these residual free energy barriers could greatly abolish the sampling efficiency. This sampling issue is particularly severe when the collective variable is defined in a low-dimension subset of the target system; then the "Hamiltonian lagging" problem, which reveals the fact that necessary structural relaxation falls behind the move of the collective variable, may be likely to occur. To overcome this problem in equilibrium conformational sampling, we adopted the orthogonal space random walk (OSRW) strategy, which was originally developed in the context of free energy simulation [L. Zheng, M. Chen, and W. Yang, Proc. Natl. Acad. Sci. U.S.A. 105, 20227 (2008)]. Thereby, generalized ensemble simulations can simultaneously escape both the explicit barriers along the collective variable direction and the hidden barriers that are strongly coupled with the collective variable move. As demonstrated in our model studies, the present OSRW based generalized ensemble treatments show improved sampling capability over the corresponding classical generalized ensemble treatments.

  20. The benefits of soft sensor and multi-rate control for the implementation of Wireless Networked Control Systems.

    PubMed

    Mansano, Raul K; Godoy, Eduardo P; Porto, Arthur J V

    2014-12-18

    Recent advances in wireless networking technology and the proliferation of industrial wireless sensors have led to an increasing interest in using wireless networks for closed loop control. The main advantages of Wireless Networked Control Systems (WNCSs) are the reconfigurability, easy commissioning and the possibility of installation in places where cabling is impossible. Despite these advantages, there are two main problems which must be considered for practical implementations of WNCSs. One problem is the sampling period constraint of industrial wireless sensors. This problem is related to the energy cost of the wireless transmission, since the power supply is limited, which precludes the use of these sensors in several closed-loop controls. The other technological concern in WNCS is the energy efficiency of the devices. As the sensors are powered by batteries, the lowest possible consumption is required to extend battery lifetime. As a result, there is a compromise between the sensor sampling period, the sensor battery lifetime and the required control performance for the WNCS. This paper develops a model-based soft sensor to overcome these problems and enable practical implementations of WNCSs. The goal of the soft sensor is generating virtual data allowing an actuation on the process faster than the maximum sampling period available for the wireless sensor. Experimental results have shown the soft sensor is a solution to the sampling period constraint problem of wireless sensors in control applications, enabling the application of industrial wireless sensors in WNCSs. Additionally, our results demonstrated the soft sensor potential for implementing energy efficient WNCS through the battery saving of industrial wireless sensors.

  1. Energy storage properties and relaxor behavior of lead-free Ba1-xSm2x/3Zr0.15Ti0.85O3 ceramics.

    PubMed

    Sun, Zheng; Li, Lingxia; Yu, Shihui; Kang, Xinyu; Chen, Siliang

    2017-10-24

    Lead-free Ba 1-x Sm 2x/3 Zr 0.15 Ti 0.85 O 3 (BSZT) ceramics were synthesized by a solid state reaction route. The microstructure, dielectric relaxor behavior and energy storage properties of BSZT ceramics were studied. The growth of grain size was suppressed with the increase of Sm addition and kept in the submicrometer scale. Successive substitution of Sm 3+ for Ba 2+ disrupted the long-range dipole and promoted the increase of polar nano-region (PNR) size, resulting in the enhanced degree of relaxor behavior. The increasing PNR size also lead to the slimmer hysteresis loops and improved the energy storage efficiency. Furthermore, high saturated polarization (P max ) and low remnant polarization (P r ) were obtained due to the formation of defect dipoles, which facilitated the switch of PNRs and contributed to the enhancement of energy storage density. The x = 0.003 sample was found to exhibit a higher energy storage density of 1.15 J cm -3 and an energy storage efficiency of 92%. The result revealed that the BSZT ceramics may be a good candidate for energy storage application.

  2. Determination of the energy transitions and half-lives of Rubidium nuclei

    NASA Astrophysics Data System (ADS)

    Biçer, Ahmet; Manisa, Kaan; Engin Çalık, Abdullah; Erdoğan, Mehmet; Şen, Mürsel; Bircan, Hasan; Dapo, Haris; Boztosun, Ismail

    2018-03-01

    The photonuclear reactions, first extensively studied in the 1970's and performed using the gamma rays obtained via bremsstrahlung, are a standard nuclear physics experiment. In this study, a non-enriched Rubidium sample was irradiated with photons produced by a clinical linear electron accelerator (cLINACs) with energies up to 18 MeV with the aim of activating it through photonuclear reactions. The activated sample was measured with a high purity germanium detector (HPGe) with the aim of measuring the transition energies and half-lives. The spectroscopic analysis performed on the obtained data yielded high quality results for the transition energies with precision matching or surpassing the literature data. For the half-lives the results were consistent with the literature, most notably the half-life of 84mRb decay was determined as 20.28(2) m. The results for both energies and half-lives further show that the clinical linear accelerators can be successfully used as an efficient tool in experimental nuclear research endeavors.

  3. Highly efficient solar vapour generation via hierarchically nanostructured gels.

    PubMed

    Zhao, Fei; Zhou, Xingyi; Shi, Ye; Qian, Xin; Alexander, Megan; Zhao, Xinpeng; Mendez, Samantha; Yang, Ronggui; Qu, Liangti; Yu, Guihua

    2018-04-02

    Solar vapour generation is an efficient way of harvesting solar energy for the purification of polluted or saline water. However, water evaporation suffers from either inefficient utilization of solar energy or relies on complex and expensive light-concentration accessories. Here, we demonstrate a hierarchically nanostructured gel (HNG) based on polyvinyl alcohol (PVA) and polypyrrole (PPy) that serves as an independent solar vapour generator. The converted energy can be utilized in situ to power the vaporization of water contained in the molecular meshes of the PVA network, where water evaporation is facilitated by the skeleton of the hydrogel. A floating HNG sample evaporated water with a record high rate of 3.2 kg m -2  h -1 via 94% solar energy from 1 sun irradiation, and 18-23 litres of water per square metre of HNG was delivered daily when purifying brine water. These values were achievable due to the reduced latent heat of water evaporation in the molecular mesh under natural sunlight.

  4. Highly efficient solar vapour generation via hierarchically nanostructured gels

    NASA Astrophysics Data System (ADS)

    Zhao, Fei; Zhou, Xingyi; Shi, Ye; Qian, Xin; Alexander, Megan; Zhao, Xinpeng; Mendez, Samantha; Yang, Ronggui; Qu, Liangti; Yu, Guihua

    2018-06-01

    Solar vapour generation is an efficient way of harvesting solar energy for the purification of polluted or saline water. However, water evaporation suffers from either inefficient utilization of solar energy or relies on complex and expensive light-concentration accessories. Here, we demonstrate a hierarchically nanostructured gel (HNG) based on polyvinyl alcohol (PVA) and polypyrrole (PPy) that serves as an independent solar vapour generator. The converted energy can be utilized in situ to power the vaporization of water contained in the molecular meshes of the PVA network, where water evaporation is facilitated by the skeleton of the hydrogel. A floating HNG sample evaporated water with a record high rate of 3.2 kg m-2 h-1 via 94% solar energy from 1 sun irradiation, and 18-23 litres of water per square metre of HNG was delivered daily when purifying brine water. These values were achievable due to the reduced latent heat of water evaporation in the molecular mesh under natural sunlight.

  5. High-Temperature and High-Energy-Density Dipolar Glass Polymers Based on Sulfonylated Poly(2,6-dimethyl-1,4-phenylene oxide).

    PubMed

    Zhang, Zhongbo; Wang, David H; Litt, Morton H; Tan, Loon-Seng; Zhu, Lei

    2018-02-05

    A new class of high-temperature dipolar polymers based on sulfonylated poly(2,6-dimethyl-1,4-phenylene oxide) (SO 2 -PPO) was synthesized by post-polymer functionalization. Owing to the efficient rotation of highly polar methylsulfonyl side groups below the glass transition temperature (T g ≈220 °C), the dipolar polarization of these SO 2 -PPOs was enhanced, and thus the dielectric constant was high. Consequently, the discharge energy density reached up to 22 J cm -3 . Owing to its high T g  , the SO 2 -PPO 25 sample also exhibited a low dielectric loss. For example, the dissipation factor (tan δ) was 0.003, and the discharge efficiency at 800 MV m -1 was 92 %. Therefore, these dipolar glass polymers are promising for high-temperature, high-energy-density, and low-loss electrical energy storage applications. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Semiconductor photoelectrochemistry

    NASA Technical Reports Server (NTRS)

    Buoncristiani, A. M.; Byvik, C. E.

    1983-01-01

    Semiconductor photoelectrochemical reactions are investigated. A model of the charge transport processes in the semiconductor, based on semiconductor device theory, is presented. It incorporates the nonlinear processes characterizing the diffusion and reaction of charge carriers in the semiconductor. The model is used to study conditions limiting useful energy conversion, specifically the saturation of current flow due to high light intensity. Numerical results describing charge distributions in the semiconductor and its effects on the electrolyte are obtained. Experimental results include: an estimate rate at which a semiconductor photoelectrode is capable of converting electromagnetic energy into chemical energy; the effect of cell temperature on the efficiency; a method for determining the point of zero zeta potential for macroscopic semiconductor samples; a technique using platinized titanium dioxide powders and ultraviolet radiation to produce chlorine, bromine, and iodine from solutions containing their respective ions; the photoelectrochemical properties of a class of layered compounds called transition metal thiophosphates; and a technique used to produce high conversion efficiency from laser radiation to chemical energy.

  7. Studying light-harvesting models with superconducting circuits.

    PubMed

    Potočnik, Anton; Bargerbos, Arno; Schröder, Florian A Y N; Khan, Saeed A; Collodo, Michele C; Gasparinetti, Simone; Salathé, Yves; Creatore, Celestino; Eichler, Christopher; Türeci, Hakan E; Chin, Alex W; Wallraff, Andreas

    2018-03-02

    The process of photosynthesis, the main source of energy in the living world, converts sunlight into chemical energy. The high efficiency of this process is believed to be enabled by an interplay between the quantum nature of molecular structures in photosynthetic complexes and their interaction with the environment. Investigating these effects in biological samples is challenging due to their complex and disordered structure. Here we experimentally demonstrate a technique for studying photosynthetic models based on superconducting quantum circuits, which complements existing experimental, theoretical, and computational approaches. We demonstrate a high degree of freedom in design and experimental control of our approach based on a simplified three-site model of a pigment protein complex with realistic parameters scaled down in energy by a factor of 10 5 . We show that the excitation transport between quantum-coherent sites disordered in energy can be enabled through the interaction with environmental noise. We also show that the efficiency of the process is maximized for structured noise resembling intramolecular phononic environments found in photosynthetic complexes.

  8. Machine learning of accurate energy-conserving molecular force fields

    PubMed Central

    Chmiela, Stefan; Tkatchenko, Alexandre; Sauceda, Huziel E.; Poltavsky, Igor; Schütt, Kristof T.; Müller, Klaus-Robert

    2017-01-01

    Using conservation of energy—a fundamental property of closed classical and quantum mechanical systems—we develop an efficient gradient-domain machine learning (GDML) approach to construct accurate molecular force fields using a restricted number of samples from ab initio molecular dynamics (AIMD) trajectories. The GDML implementation is able to reproduce global potential energy surfaces of intermediate-sized molecules with an accuracy of 0.3 kcal mol−1 for energies and 1 kcal mol−1 Å̊−1 for atomic forces using only 1000 conformational geometries for training. We demonstrate this accuracy for AIMD trajectories of molecules, including benzene, toluene, naphthalene, ethanol, uracil, and aspirin. The challenge of constructing conservative force fields is accomplished in our work by learning in a Hilbert space of vector-valued functions that obey the law of energy conservation. The GDML approach enables quantitative molecular dynamics simulations for molecules at a fraction of cost of explicit AIMD calculations, thereby allowing the construction of efficient force fields with the accuracy and transferability of high-level ab initio methods. PMID:28508076

  9. Validated numerical simulation model of a dielectric elastomer generator

    NASA Astrophysics Data System (ADS)

    Foerster, Florentine; Moessinger, Holger; Schlaak, Helmut F.

    2013-04-01

    Dielectric elastomer generators (DEG) produce electrical energy by converting mechanical into electrical energy. Efficient operation requires homogeneous deformation of each single layer. However, by different internal and external influences like supports or the shape of a DEG the deformation will be inhomogeneous and hence negatively affect the amount of the generated electrical energy. Optimization of the deformation behavior leads to improved efficiency of the DEG and consequently to higher energy gain. In this work a numerical simulation model of a multilayer dielectric elastomer generator is developed using the FEM software ANSYS. The analyzed multilayer DEG consists of 49 active dielectric layers with layer thicknesses of 50 μm. The elastomer is silicone (PDMS) while the compliant electrodes are made of graphite powder. In the simulation the real material parameters of the PDMS and the graphite electrodes need to be included. Therefore, the mechanical and electrical material parameters of the PDMS are determined by experimental investigations of test samples while the electrode parameters are determined by numerical simulations of test samples. The numerical simulation of the DEG is carried out as coupled electro-mechanical simulation for the constant voltage energy harvesting cycle. Finally, the derived numerical simulation model is validated by comparison with analytical calculations and further simulated DEG configurations. The comparison of the determined results show good accordance with regard to the deformation of the DEG. Based on the validated model it is now possible to optimize the DEG layout for improved deformation behavior with further simulations.

  10. 75 FR 34657 - Energy Efficiency and Sustainable Design Standards for New Federal Buildings

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-06-18

    ... Efficiency and Sustainable Design Standards for New Federal Buildings AGENCY: Office of Energy Efficiency and....S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Federal Energy Management... June 11, 2010. Cathy Zoi, Assistant Secretary, Energy Efficiency and Renewable Energy. [FR Doc. 2010...

  11. 48 CFR 23.203 - Energy-efficient products.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 48 Federal Acquisition Regulations System 1 2011-10-01 2011-10-01 false Energy-efficient products... SOCIOECONOMIC PROGRAMS ENVIRONMENT, ENERGY AND WATER EFFICIENCY, RENEWABLE ENERGY TECHNOLOGIES, OCCUPATIONAL SAFETY, AND DRUG-FREE WORKPLACE Energy and Water Efficiency and Renewable Energy 23.203 Energy-efficient...

  12. 48 CFR 23.203 - Energy-efficient products.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 48 Federal Acquisition Regulations System 1 2010-10-01 2010-10-01 false Energy-efficient products... SOCIOECONOMIC PROGRAMS ENVIRONMENT, ENERGY AND WATER EFFICIENCY, RENEWABLE ENERGY TECHNOLOGIES, OCCUPATIONAL SAFETY, AND DRUG-FREE WORKPLACE Energy and Water Efficiency and Renewable Energy 23.203 Energy-efficient...

  13. 48 CFR 23.203 - Energy-efficient products.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 48 Federal Acquisition Regulations System 1 2014-10-01 2014-10-01 false Energy-efficient products... SOCIOECONOMIC PROGRAMS ENVIRONMENT, ENERGY AND WATER EFFICIENCY, RENEWABLE ENERGY TECHNOLOGIES, OCCUPATIONAL SAFETY, AND DRUG-FREE WORKPLACE Energy and Water Efficiency and Renewable Energy 23.203 Energy-efficient...

  14. 48 CFR 23.203 - Energy-efficient products.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 48 Federal Acquisition Regulations System 1 2013-10-01 2013-10-01 false Energy-efficient products... SOCIOECONOMIC PROGRAMS ENVIRONMENT, ENERGY AND WATER EFFICIENCY, RENEWABLE ENERGY TECHNOLOGIES, OCCUPATIONAL SAFETY, AND DRUG-FREE WORKPLACE Energy and Water Efficiency and Renewable Energy 23.203 Energy-efficient...

  15. 48 CFR 23.203 - Energy-efficient products.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 48 Federal Acquisition Regulations System 1 2012-10-01 2012-10-01 false Energy-efficient products... SOCIOECONOMIC PROGRAMS ENVIRONMENT, ENERGY AND WATER EFFICIENCY, RENEWABLE ENERGY TECHNOLOGIES, OCCUPATIONAL SAFETY, AND DRUG-FREE WORKPLACE Energy and Water Efficiency and Renewable Energy 23.203 Energy-efficient...

  16. Orderly arranged fluorescence dyes as a highly efficient chemiluminescence resonance energy transfer probe for peroxynitrite.

    PubMed

    Wang, Zhihua; Teng, Xu; Lu, Chao

    2015-03-17

    Chemiluminescence (CL) probes for reactive oxygen species (ROS) are commonly based on a redox reaction between a CL reagent and ROS, leading to poor selectivity toward a specific ROS. The energy-matching rules in the chemiluminescence resonance energy transfer (CRET) process between a specific ROS donor and a suitable fluorescence dye acceptor is a promising method for the selective detection of ROS. Nevertheless, higher concentrations of fluorescence dyes can lead to the intractable aggregation-caused quenching effect, decreasing the CRET efficiency. In this report, we fabricated an orderly arranged structure of calcein-sodium dodecyl sulfate (SDS) molecules to improve the CRET efficiency between ONOOH* donor and calcein acceptor. Such orderly arranged calcein-SDS composites can distinguish peroxynitrite (ONOO(-)) from a variety of other ROS owing to the energy matching in the CRET process between ONOOH* donor and calcein acceptor. Under the optimal experimental conditions, ONOO(-) could be assayed in the range of 1.0-20.0 μM, and the detection limit for ONOO(-) [signal-to-noise ratio (S/N) = 3] was 0.3 μM. The proposed strategy has been successfully applied in both detecting ONOO(-) in cancer mouse plasma samples and monitoring the generation of ONOO(-) from 3-morpholinosydnonimine (SIN-1). Recoveries from cancer mouse plasma samples were in the range of 96-105%. The success of this work provides a unique opportunity to develop a CL tool to monitor ONOO(-) with high selectivity in a specific manner. Improvement of selectivity and sensitivity of CL probes holds great promise as a strategy for developing a wide range of probes for various ROS by tuning the types of fluorescence dyes.

  17. Performance Characteristics of Lithium Ion Prototype Cells for 2003 Mars Sample Return Athena Rover

    NASA Technical Reports Server (NTRS)

    Ratnakumar, B. V.; Smart, M. C.; Ewell, R.; Surampudi, S.; Marsh, R. A.

    2000-01-01

    A viewgraph presentation outlines the mission objectives and power subsystem for the Mars Sample Return (MSR) Athena Rover. The NASA-DOD (depth of discharge) Interagency Li Ion program objectives are discussed. Evaluation tests performed at JPL are listed, and test results are shown for the Li-Ion cell initial capacity, charge/discharge capacity, voltage and ratio, specific energy, watt-hour efficiency, and cell voltage at various temperatures.

  18. Influence of other rare earth ions on the optical refrigeration efficiency in Yb:YLF crystals.

    PubMed

    Di Lieto, Alberto; Sottile, Alberto; Volpi, Azzurra; Zhang, Zhonghan; Seletskiy, Denis V; Tonelli, Mauro

    2014-11-17

    We investigated the effect of rare earth impurities on the cooling efficiency of Yb³⁺:LiYF₄ (Yb:YLF). The refrigeration performance of two single crystals, doped with 5%-at. Yb and with identical history but with different amount of contaminations, have been compared by measuring the cooling efficiency curves. Spectroscopic and elemental analyses of the samples have been carried out to identify the contaminants, to quantify their concentrations and to understand their effect on the cooling efficiencies. A model of energy transfer processes between Yb and other rare earth ions is suggested, identifying Erbium and Holmium as elements that produce a detrimental effect on the cooling performance.

  19. Self-Learning Adaptive Umbrella Sampling Method for the Determination of Free Energy Landscapes in Multiple Dimensions

    PubMed Central

    Wojtas-Niziurski, Wojciech; Meng, Yilin; Roux, Benoit; Bernèche, Simon

    2013-01-01

    The potential of mean force describing conformational changes of biomolecules is a central quantity that determines the function of biomolecular systems. Calculating an energy landscape of a process that depends on three or more reaction coordinates might require a lot of computational power, making some of multidimensional calculations practically impossible. Here, we present an efficient automatized umbrella sampling strategy for calculating multidimensional potential of mean force. The method progressively learns by itself, through a feedback mechanism, which regions of a multidimensional space are worth exploring and automatically generates a set of umbrella sampling windows that is adapted to the system. The self-learning adaptive umbrella sampling method is first explained with illustrative examples based on simplified reduced model systems, and then applied to two non-trivial situations: the conformational equilibrium of the pentapeptide Met-enkephalin in solution and ion permeation in the KcsA potassium channel. With this method, it is demonstrated that a significant smaller number of umbrella windows needs to be employed to characterize the free energy landscape over the most relevant regions without any loss in accuracy. PMID:23814508

  20. Ce(3+) /Tb(3+) non-/single-/co-doped K-Lu-F materials: synthesis, optical properties, and energy transfer.

    PubMed

    Cao, Chunyan; Xie, An; Noh, Hyeon Mi; Jeong, Jung Hyun

    2016-08-01

    Using a hydrothermal method, Ce(3+) /Tb(3+) non-/single-/co-doped K-Lu-F materials have been synthesized. The X-ray diffraction (XRD) results suggest that the Ce(3+) and/or Tb(3+) doping had great effects on the crystalline phases of the final samples. The field emission scanning electron microscopy (FE-SEM) images indicated that the samples were in hexagonal disk or polyhedron morphologies in addition to some nanoparticles, which also indicated that the doping also had great effects on the sizes and the morphologies of the samples. The energy-dispersive spectroscopy (EDS) patterns illustrated the constituents of different samples. The enhanced emissions of Tb(3+) were observed in the Ce(3+) /Tb(3+) co-doped K-Lu-F materials. The energy transfer (ET) efficiency ηT were calculated based on the fluorescence yield. The ET mechanism from Ce(3+) to Tb(3+) was confirmed to be the dipole-quadrupole interaction inferred from the theoretical analysis and the experimental data. Copyright © 2015 John Wiley & Sons, Ltd. Copyright © 2015 John Wiley & Sons, Ltd.

  1. Enhanced conformational sampling using enveloping distribution sampling.

    PubMed

    Lin, Zhixiong; van Gunsteren, Wilfred F

    2013-10-14

    To lessen the problem of insufficient conformational sampling in biomolecular simulations is still a major challenge in computational biochemistry. In this article, an application of the method of enveloping distribution sampling (EDS) is proposed that addresses this challenge and its sampling efficiency is demonstrated in simulations of a hexa-β-peptide whose conformational equilibrium encompasses two different helical folds, i.e., a right-handed 2.7(10∕12)-helix and a left-handed 3(14)-helix, separated by a high energy barrier. Standard MD simulations of this peptide using the GROMOS 53A6 force field did not reach convergence of the free enthalpy difference between the two helices even after 500 ns of simulation time. The use of soft-core non-bonded interactions in the centre of the peptide did enhance the number of transitions between the helices, but at the same time led to neglect of relevant helical configurations. In the simulations of a two-state EDS reference Hamiltonian that envelops both the physical peptide and the soft-core peptide, sampling of the conformational space of the physical peptide ensures that physically relevant conformations can be visited, and sampling of the conformational space of the soft-core peptide helps to enhance the transitions between the two helices. The EDS simulations sampled many more transitions between the two helices and showed much faster convergence of the relative free enthalpy of the two helices compared with the standard MD simulations with only a slightly larger computational effort to determine optimized EDS parameters. Combined with various methods to smoothen the potential energy surface, the proposed EDS application will be a powerful technique to enhance the sampling efficiency in biomolecular simulations.

  2. Exploring Damped Ly Alpha System Host Galaxies Using Gamma-Ray Bursts

    NASA Technical Reports Server (NTRS)

    Toy, Vicki L.; Cucchiara, Antonino; Veilleux, Sylvain; Fumagalli, Michele; Rafelski, Marc; Rahmati, Alireza; Cenko, S. Bradley; Capone, John I.; Pasham, Dheeraj R.

    2016-01-01

    We present a sample of 45 Damped Ly-Alpha system [DLA; H I-N is greater than or equal to 2 x 10(exp. 20) cm(exp. -2)] counterparts (33 detections, 12 upper limits) which host gamma-ray bursts (GRB-DLAs) in order to investigate star formation and metallicity within galaxies hosting DLAs. Our sample spans z is approx. 2 - 6 and is nearly three times larger than any previously detected DLA counterparts survey based on quasar line-of-sight searches (QSO-DLAs). We report star formation rates (SFRs) from rest-frame UV photometry and spectral energy distribution modeling. We find that DLA counterpart SFRs are not correlated with either redshift or H I column density. Thanks to the combination of Hubble Space Telescope and ground-based observations, we also investigate DLA host star formation efficiency. Our GRB-DLA counterpart sample spans both higher efficiency and low efficiency star formation regions compared to the local Kennicutt-Schmidt relation, local star formation laws, and z is approximately 3 cosmological simulations. We also compare the depletion times of our DLA hosts sample to other objects in the local universe; our sample appears to deviate from the star formation efficiencies measured in local spiral and dwarf galaxies. Furthermore, we find similar efficiencies as local inner disks, SMC, and Lyman-break galaxy outskirts. Finally, our enrichment time measurements show a spread of systems with under- and over-abundance of metals, which may suggest that these systems had episodic star formation and a metal enrichment/depletion as a result of strong stellar feedback and/or metal inflow/outflow.

  3. Intensity correlation-based calibration of FRET.

    PubMed

    Bene, László; Ungvári, Tamás; Fedor, Roland; Sasi Szabó, László; Damjanovich, László

    2013-11-05

    Dual-laser flow cytometric resonance energy transfer (FCET) is a statistically efficient and accurate way of determining proximity relationships for molecules of cells even under living conditions. In the framework of this algorithm, absolute fluorescence resonance energy transfer (FRET) efficiency is determined by the simultaneous measurement of donor-quenching and sensitized emission. A crucial point is the determination of the scaling factor α responsible for balancing the different sensitivities of the donor and acceptor signal channels. The determination of α is not simple, requiring preparation of special samples that are generally different from a double-labeled FRET sample, or by the use of sophisticated statistical estimation (least-squares) procedures. We present an alternative, free-from-spectral-constants approach for the determination of α and the absolute FRET efficiency, by an extension of the presented framework of the FCET algorithm with an analysis of the second moments (variances and covariances) of the detected intensity distributions. A quadratic equation for α is formulated with the intensity fluctuations, which is proved sufficiently robust to give accurate α-values on a cell-by-cell basis in a wide system of conditions using the same double-labeled sample from which the FRET efficiency itself is determined. This seemingly new approach is illustrated by FRET measurements between epitopes of the MHCI receptor on the cell surface of two cell lines, FT and LS174T. The figures show that whereas the common way of α determination fails at large dye-per-protein labeling ratios of mAbs, this presented-as-new approach has sufficient ability to give accurate results. Although introduced in a flow cytometer, the new approach can also be straightforwardly used with fluorescence microscopes. Copyright © 2013 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  4. Enhancement of phytochemical content and drying efficiency of onions (Allium cepa L.) through blanching.

    PubMed

    Ren, Feiyue; Perussello, Camila A; Zhang, Zhihang; Gaffney, Michael T; Kerry, Joseph P; Tiwari, Brijesh K

    2018-03-01

    This study investigated the effect of blanching (60, 70 and 80 °C for 1, 3, 5 and 10 min) combined with oven drying at 60 °C on the phenolic compounds, antioxidant activity, colour and drying characteristics (drying time, drying rate constant, effective moisture diffusivity and activation energy) of onion slices. Blanching of onion slices at 60 °C for 3 min and at 70 °C for 1 min prior to drying increased their bioactive compounds and antioxidant activity compared to the control samples and other treatments. Eighteen drying models were evaluated. The Modified Page and two-term exponential models best represented the drying data. The effective diffusivity ranged from 3.32 × 10 -11 m 2 s -1 (control) to 5.27 × 10 -11 m 2 s -1 , 5.01 × 10 -11 m 2 s -1 , and 4.74 × 10 -11 m 2 s -1 for onions blanched at 60 °C, 70 °C and 80 °C, respectively. The higher activation energy was observed for the control (unblanched) sample and slightly lower values were found for 1 min- and 3 min-blanched samples, confirming the higher drying efficiency as a result of the blanching pre-treatment. The use of blanching as a pre-treatment before drying of onions resulted in enhanced phytochemical content and drying efficiency. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

  5. Enhanced Conformational Sampling of N-Glycans in Solution with Replica State Exchange Metadynamics.

    PubMed

    Galvelis, Raimondas; Re, Suyong; Sugita, Yuji

    2017-05-09

    Molecular dynamics (MD) simulation of a N-glycan in solution is challenging because of high-energy barriers of the glycosidic linkages, functional group rotational barriers, and numerous intra- and intermolecular hydrogen bonds. In this study, we apply different enhanced conformational sampling approaches, namely, metadynamics (MTD), the replica-exchange MD (REMD), and the recently proposed replica state exchange MTD (RSE-MTD), to a N-glycan in solution and compare the conformational sampling efficiencies of the approaches. MTD helps to cross the high-energy barrier along the ω angle by utilizing a bias potential, but it cannot enhance sampling of the other degrees of freedom. REMD ensures moderate-energy barrier crossings by exchanging temperatures between replicas, while it hardly crosses the barriers along ω. In contrast, RSE-MTD succeeds to cross the high-energy barrier along ω as well as to enhance sampling of the other degrees of freedom. We tested two RSE-MTD schemes: in one scheme, 64 replicas were simulated with the bias potential along ω at different temperatures, while simulations of four replicas were performed with the bias potentials for different CVs at 300 K. In both schemes, one unbiased replica at 300 K was included to compute conformational properties of the glycan. The conformational sampling of the former is better than the other enhanced sampling methods, while the latter shows reasonable performance without spending large computational resources. The latter scheme is likely to be useful when a N-glycan-attached protein is simulated.

  6. 10 CFR 431.16 - Test procedures for the measurement of energy efficiency.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 3 2011-01-01 2011-01-01 false Test procedures for the measurement of energy efficiency. 431.16 Section 431.16 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY PROGRAM FOR... Methods of Determining Efficiency § 431.16 Test procedures for the measurement of energy efficiency. For...

  7. 10 CFR 431.16 - Test procedures for the measurement of energy efficiency.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 3 2010-01-01 2010-01-01 false Test procedures for the measurement of energy efficiency. 431.16 Section 431.16 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY PROGRAM FOR... Methods of Determining Efficiency § 431.16 Test procedures for the measurement of energy efficiency. For...

  8. Energy dependence measurement of small-type optically stimulated luminescence (OSL) dosimeter by means of characteristic X-rays induced with general diagnostic X-ray equipment.

    PubMed

    Takegami, Kazuki; Hayashi, Hiroaki; Okino, Hiroki; Kimoto, Natsumi; Maehata, Itsumi; Kanazawa, Yuki; Okazaki, Tohru; Hashizume, Takuya; Kobayashi, Ikuo

    2016-01-01

    For X-ray inspections by way of general X-ray equipment, it is important to measure an entrance-skin dose. Recently, a small optically stimulated luminescence (OSL) dosimeter was made commercially available by Landauer, Inc. The dosimeter does not interfere with the medical images; therefore, it is expected to be a convenient detector for measuring personal exposure doses. In an actual clinical situation, it is assumed that X-rays of different energies will be detected by a dosimeter. For evaluation of the exposure dose measured by a dosimeter, it is necessary to know the energy dependence of the dosimeter. Our aim in this study was to measure the energy dependence of the OSL dosimeter experimentally in the diagnostic X-ray region. Metal samples weighing several grams were irradiated and, in this way, characteristic X-rays having energies ranging from 8 to 85 keV were generated. Using these mono-energetic X-rays, the dosimeter was irradiated. Simultaneously, the fluence of the X-rays was determined with a CdTe detector. The energy-dependent efficiency of the dosimeter was derived from the measured value of the dosimeter and the fluence. Moreover, the energy-dependent efficiency was calculated by Monte-Carlo simulation. The efficiency obtained in the experiment was in good agreement with that of the simulation. In conclusion, our proposed method, in which characteristic X-rays are used, is valuable for measurement of the energy dependence of a small OSL dosimeter in the diagnostic X-ray region.

  9. Quantum mechanical free energy profiles with post-quantization restraints: Binding free energy of the water dimer over a broad range of temperatures

    NASA Astrophysics Data System (ADS)

    Bishop, Kevin P.; Roy, Pierre-Nicholas

    2018-03-01

    Free energy calculations are a crucial part of understanding chemical systems but are often computationally expensive for all but the simplest of systems. Various enhanced sampling techniques have been developed to improve the efficiency of these calculations in numerical simulations. However, the majority of these approaches have been applied using classical molecular dynamics. There are many situations where nuclear quantum effects impact the system of interest and a classical description fails to capture these details. In this work, path integral molecular dynamics has been used in conjunction with umbrella sampling, and it has been observed that correct results are only obtained when the umbrella sampling potential is applied to a single path integral bead post quantization. This method has been validated against a Lennard-Jones benchmark system before being applied to the more complicated water dimer system over a broad range of temperatures. Free energy profiles are obtained, and these are utilized in the calculation of the second virial coefficient as well as the change in free energy from the separated water monomers to the dimer. Comparisons to experimental and ground state calculation values from the literature are made for the second virial coefficient at higher temperature and the dissociation energy of the dimer in the ground state.

  10. Quantum mechanical free energy profiles with post-quantization restraints: Binding free energy of the water dimer over a broad range of temperatures.

    PubMed

    Bishop, Kevin P; Roy, Pierre-Nicholas

    2018-03-14

    Free energy calculations are a crucial part of understanding chemical systems but are often computationally expensive for all but the simplest of systems. Various enhanced sampling techniques have been developed to improve the efficiency of these calculations in numerical simulations. However, the majority of these approaches have been applied using classical molecular dynamics. There are many situations where nuclear quantum effects impact the system of interest and a classical description fails to capture these details. In this work, path integral molecular dynamics has been used in conjunction with umbrella sampling, and it has been observed that correct results are only obtained when the umbrella sampling potential is applied to a single path integral bead post quantization. This method has been validated against a Lennard-Jones benchmark system before being applied to the more complicated water dimer system over a broad range of temperatures. Free energy profiles are obtained, and these are utilized in the calculation of the second virial coefficient as well as the change in free energy from the separated water monomers to the dimer. Comparisons to experimental and ground state calculation values from the literature are made for the second virial coefficient at higher temperature and the dissociation energy of the dimer in the ground state.

  11. Department of Energy Support of Energy Intensive Manufacturing Related to Refractory Research

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

    Hemrick, James Gordon

    For many years, the United States Department of Energy (DOE) richly supported refractory related research to enable greater energy efficiency processes in energy intensive manufacturing industries such as iron and steel, glass, aluminum and other non-ferrous metal production, petrochemical, and pulp and paper. Much of this support came through research projects funded by the former DOE Energy Efficiency and Renewable Energy (EERE) Office of Industrial Technologies (OIT) under programs such as Advanced Industrial Materials (AIM), Industrial Materials of the Future (IMF), and the Industrial Technologies Program (ITP). Under such initiatives, work was funded at government national laboratories such as Oakmore » Ridge National Laboratory (ORNL), at universities such as West Virginia University (WVU) and the Missouri University of Science and Technology (MS&T) which was formerly the University of Missouri Rolla, and at private companies engaged in these manufacturing areas once labeled industries of the future by DOE due to their strategic and economic importance to American industry. Examples of such projects are summarized below with information on the scope, funding level, duration, and impact. This is only a sampling of representative efforts funded by the DOE in which ORNL was involved over the period extending from 1996 to 2011. Other efforts were also funded during this time at various other national laboratories, universities and private companies under the various programs mentioned above. Discussion of the projects below was chosen because I was an active participant in them and it is meant to give a sampling of the magnitude and scope of investments made by DOE in refractory related research over this time period.« less

  12. 75 FR 69655 - Energy Efficiency and Renewable Energy Advisory Committee (ERAC)

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-11-15

    ... DEPARTMENT OF ENERGY Office of Energy Efficiency and Renewable Energy Energy Efficiency and Renewable Energy Advisory Committee (ERAC) AGENCY: Department of Energy, Office of Energy Efficiency and Renewable Energy. ACTION: Notice of open meeting. SUMMARY: This notice announces the first meeting of the...

  13. Negligible carrier freeze-out facilitated by impurity band conduction in highly p-type GaN

    NASA Astrophysics Data System (ADS)

    Gunning, Brendan; Lowder, Jonathan; Moseley, Michael; Alan Doolittle, W.

    2012-08-01

    Highly p-type GaN films with hole concentrations exceeding 6 × 1019 cm-3 grown by metal-modulated epitaxy are electrically characterized. Temperature-dependent Hall effect measurements at cryogenic temperatures reveal minimal carrier freeze-out in highly doped samples, while less heavily doped samples exhibited high resistivity and donor-compensated conductivity as is traditionally observed. Effective activation energies as low as 43 meV were extracted, and a maximum Mg activation efficiency of 52% was found. In addition, the effective activation energy was found to be negatively correlated to the hole concentration. These results indicate the onset of the Mott-Insulator transition leading to impurity band conduction.

  14. 76 FR 6605 - Energy Efficiency and Renewable Energy Advisory Committee (ERAC)

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-02-07

    ... DEPARTMENT OF ENERGY Office of Energy Efficiency and Renewable Energy Energy Efficiency and Renewable Energy Advisory Committee (ERAC) AGENCY: Department of Energy, Office of Energy Efficiency and Renewable Energy. ACTION: Notice of open meeting. SUMMARY: The purpose of the ERAC is to provide advice and...

  15. 77 FR 32531 - Renewable Energy and Energy Efficiency Advisory Committee

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-06-01

    ... DEPARTMENT OF COMMERCE International Trade Administration Renewable Energy and Energy Efficiency... of an Open Meeting. SUMMARY: The Renewable Energy and Energy Efficiency Advisory Committee (RE&EEAC... energy and energy efficiency industries, including specific challenges associated with exporting. The...

  16. X-ray photoemission studies of Zn doped Cu 1- xTl xBa 2Ca 2Cu 3- yZn yO 10- δ ( y = 0, 2.65) superconductors

    NASA Astrophysics Data System (ADS)

    Khan, Nawazish A.; Mumtaz, M.; Ahadian, M. M.; Iraji-zad, Azam

    2007-03-01

    The X-ray photoemission (XPS) measurements of Cu 1- xTl xBa 2Ca 2Cu 3- yZn yO 10- δ ( y = 0, 2.65) superconductors have been performed and compared. These studies revealed that the charge state of thallium in the Cu 0.5Tl 0.5Ba 2O 4- δ charge reservoir layer in Zn doped samples is Tl 1+, while it is a mix of Tl 1+ and Tl 2+ in Zn free samples. The binding energy of Ba atoms in the Zn doped samples is shifted to higher energy, which when considered along with the presence of Tl 1+ suggested that it more efficiently directed the carriers to ZnO 2 and CuO 2 planes. The evidence of improved inter-plane coupling witnessed in X-ray diffraction is also confirmed by XPS measurements of Ca atoms in the Zn doped samples. The shift of the valance band spectrum in these Zn doped samples to higher energies suggested that the electrons at the top edge of the valance band were tied to a higher binding energy (relative to samples without Zn doping), which most likely resulted in a much lower energy state of the system in the superconducting state. The stronger superconducting state arising out of these effects is witnessed in the form of increased Tc( R = 0), Jc and the extent of diamagnetism in the final compound.

  17. Novel hydrothermal method for effective doping of N and F into nano Titania for both, energy and environmental applications

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

    Jyothi, M.S.; D’Souza Laveena, P.; Shwetharani, R.

    2016-02-15

    Highlights: • Novel method to synthesize N, F doped TiO{sub 2} via hydrothermal method is discussed. • Change in bandgap of TiO{sub 2} upon doping makes a photocatalyst visible active. • 94% of degradation of EtBr was achieved within a less time of 90 min. • The doped titania also showed good efficiency as photo anodic material for solar cell. - Abstract: A novel and an efficient hydrothermal method for the preparation of an effective doped titania photocatalyst is reported. The crystal phase, binding energy, elemental composition, morphology, optical and electronic structure analyses were done by various techniques. The dopedmore » titania proved as an efficient electrode material and photocatalyst for solar cells and water treatment respectively. The photocatalyst is able to degrade the most potent mutagen ethidium bromide under sunlight with an enhancement of 1.6 times over its undoped analogue. As photo-anode material, showed an improved open circuit potential and fill factor. The created electron states in the doped sample act as charge carrier traps suppressing recombination which later detraps the same to the surface of the catalyst causing enhanced interfacial charge transfer. Surface acidity caused by F induction and lowered band gap energy that can respond to visible light facilitates improved energy harvesting and energy transfer leading to better photo activity.« less

  18. Energy and Water Efficiency on Campus | NREL

    Science.gov Websites

    Energy and Water Efficiency on Campus Energy and Water Efficiency on Campus NREL ensures the resiliency of our future energy and water systems through energy efficiency strategies and technologies , renewable energy, and water efficiency on the NREL campus. FY17 Energy Intensity. The South Table Mountain

  19. 76 FR 80355 - Energy Efficiency and Renewable Energy Advisory Committee (ERAC)

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-12-23

    ... DEPARTMENT OF ENERGY Energy Efficiency and Renewable Energy Advisory Committee (ERAC) AGENCY: Department of Energy, Office of Energy Efficiency and Renewable Energy. ACTION: Notice of open teleconference... efficiency and renewable energy. The Federal Advisory Committee Act, Public Law 92- 463, 86 Stat. 770...

  20. 76 FR 54224 - Energy Efficiency and Renewable Energy Advisory Committee (ERAC)

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-08-31

    ... DEPARTMENT OF ENERGY Energy Efficiency and Renewable Energy Advisory Committee (ERAC) AGENCY: Department of Energy, Office of Energy Efficiency and Renewable Energy. ACTION: Notice of open meeting... efficiency and renewable energy. The Federal Advisory Committee Act, Public Law 92-463, 86 Stat. 770...

  1. 76 FR 71312 - Renewable Energy and Energy Efficiency Advisory Committee Meeting

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-11-17

    ... DEPARTMENT OF COMMERCE International Trade Administration Renewable Energy and Energy Efficiency...: Notice of an Open Meeting. SUMMARY: The Renewable Energy and Energy Efficiency Advisory Committee (RE... competitiveness of the U.S. renewable energy and energy efficiency industries, including specific challenges...

  2. 78 FR 78340 - Renewable Energy and Energy Efficiency Advisory Committee

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-12-26

    ... DEPARTMENT OF COMMERCE International Trade Administration Renewable Energy and Energy Efficiency... of an Open Meeting. SUMMARY: The Renewable Energy and Energy Efficiency Advisory Committee (RE&EEAC... affecting U.S. competitiveness in exporting renewable energy and energy efficiency (RE&EE) products and...

  3. 76 FR 54431 - Renewable Energy and Energy Efficiency Advisory Committee

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-09-01

    ... DEPARTMENT OF COMMERCE International Trade Administration Renewable Energy and Energy Efficiency... of an Open Meeting. SUMMARY: The Renewable Energy and Energy Efficiency Advisory Committee (RE&EEAC... competitiveness of the U.S. renewable energy and energy efficiency industries, including specific challenges...

  4. [Determination of benzo(alpha)pyrene in food with microwave-assisted extraction].

    PubMed

    Zhou, Na; Luo, He-Dong; Li, Na; Li, Yao-Qun

    2014-03-01

    Coupling derivative technique and constant-energy synchronous fluorescence scanning technique, a method of determining benzo[alpha] pyrene in foods by second derivative constant-energy synchronous spectrofluorimetry after microwave-assisted treatment of samples was established using domestic microwave oven. The main factors of influencing the efficiency of microwave extraction were discussed, including the extraction solvent types and amounts, the microwave extraction time, microwave radiation power and cooling time. And the comparison with ultrasonic extraction was made. Low-fat food samples, which were just microwave-extracted with mixed-solvents, could be analyzed immediately by the spectrofluorimetric technique. For high-fat food samples, microwave-assisted saponification and extraction were made at the same time, thus simplifying operation steps and reducing sample analysis time. So the whole sample analysis process could be completed within one hour. This method was simple, rapid and inexpensive. In consequence, it was applied to determine benzo(a)pyrene in food with good reproducibility and the recoveries of benzo(alpha) pyrene ranged from 90.0% to 105.0% for the low fat samples and 83.3% to 94.6% for high-fat samples.

  5. Effect of nature based antioxidant from Zingiber officinale Rosc. on the oxidation stability, engine performance and emission characteristics with neem oil methyl ester

    NASA Astrophysics Data System (ADS)

    Karthickeyan, V.

    2018-05-01

    In past few years, the demand for energy increased drastically due to excess utilization of the natural reserves. Thus, it leads to extinction of non-renewable energy resources. Today, the world turning over renewable source of energy for power production (like wind energy, tidal energy, biodiesel, biomass and so on). In the present study, raw neem oil was taken and converted into biodiesel using transesterification process. Nature based antioxidant namely ginger extract (Zingiber officinale Rosc.) was used as an antioxidant instead of synthetic antioxidants. An anti-oxidants were added in various proportions like G5 (0.5% additive), G10 (1% additive) and G15 (1.5% additive) with B20 (20% neem oil methyl ester with 80% diesel). B20G15 sample showed higher induction period than other samples. Thus, it was considered as an optimum blend with oxidation stability test using Rancimat instrument. Diesel showed higher Brake Thermal Efficiency (BTE) than biodiesel samples. On the other hand, B20G15 showed higher BTE than B20. Higher CO, HC and smoke emissions were observed for B20 with an antioxidant than other fuel samples. B20 with an antioxidant showed lower NOx emissions than diesel and B20. Thus, the nature based antioxidant was considered as the most promising alternative for NOx emission reduction.

  6. Structural dependences of localization and recombination of photogenerated carriers in the top GaInP Subcells of GaInP/GaAs double-junction tandem solar cells.

    PubMed

    Deng, Zhuo; Ning, Jiqiang; Su, Zhicheng; Xu, Shijie; Xing, Zheng; Wang, Rongxin; Lu, Shulong; Dong, Jianrong; Zhang, Baoshun; Yang, Hui

    2015-01-14

    In high-efficiency GaInP/GaAs double-junction tandem solar cells, GaInP layers play a central role in determining the performance of the solar cells. Therefore, gaining a deeper understanding of the optoelectronic processes in GaInP layers is crucial for improving the energy conversion efficiency of GaInP-based photovoltaic devices. In this work, we firmly show strong dependences of localization and recombination of photogenerated carriers in the top GaInP subcells in the GaInP/GaAs double-junction tandem solar cells on the substrate misorientation angle with excitation intensity- and temperature-dependent photoluminescence (PL). The entire solar cell structures including GaInP layers were grown with metalorganic chemical vapor deposition on GaAs substrates with misorientation angles of 2° (denoted as Sample 2°) and 7° (Sample 7°) off (100) toward (111)B. The PL spectral features of the two top GaInP subcells, as well as their excitation-power and temperature dependences exhibit remarkable variation on the misorientation angle. In Sample 2°, the dominant localization mechanism and luminescence channels are due to the energy potential minima caused by highly ordered atomic domains; In Sample 7°, the main localization and radiative recombination of photogenerated carriers occur in the atomically disordered regions. Our results reveal a more precise picture on the localization and recombination mechanisms of photogenerated carriers in the top GaInP subcells, which could be the crucial factors in controlling the optoelectronic efficiency of the GaInP-based multijunction photovoltaic devices.

  7. "Non-Contact Ultrasonic Treatment of Metals in a Magnetic Field"

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

    Ludtka, Gerard Michael; Wilgen, John B; Kisner, Roger A

    2007-01-01

    A concept has been originated for non-contact ultrasonic treatment of metals based on the use of an induction coil located in a high-field superconducting magnet. An advantage of using a high magnetic field environment (> 9 T) is that this allows the induced surface current in the sample to be decreased proportionately. As a result, the incidental induction heating associated with the use of the EMAT (Electromagnetic Acoustical Transducer) is greatly reduced, which improves the energy efficiency of the EMAT approach. The method can be coupled with high-field magnetic processing, but can also be used where only ultrasonic treatment ismore » beneficial. In the proof-of-principle experiments, a high-field EMAT was used for non-contact ultrasonic processing of aluminum samples during solidification. The magnetic field for the EMAT was supplied by a high-field (20 Tesla) resistive magnet, and the current was provided by an induction coil. This resulted in a highly efficient EMAT that delivered 0.5 MPa (~5 atmospheres) of acoustic drive to the surface of the sample while coupling less than 100 watts of incidental induction heating. The exceptionally high energy efficiency of the electromagnetic transducer is due to the use of the high magnetic field, which reduces the current needed to achieve the same acoustic pressure. In these initial experiments, aluminum samples of A356 alloy were heated to the liquid state and allowed to solidify at a controlled cooling rate while subjected to the non-contact ultrasonic stimulation (0.5 MPa @ 165 kHz) provided by an induction coil located within the 200 mm (~8-inch) bore of a 20-T Bitter resistive magnet.« less

  8. The determination of the energy values and the composition analysis of M-16 rifle black powders

    NASA Astrophysics Data System (ADS)

    Satee, R.; Dararutana, P.; Phutdhawong, W.

    2017-09-01

    The determination of the energy values, specifically the heat of combustion of various M-16 black powders was the important part of the bullet efficiency investigations. The calorimetric bomb is commonly used for these determinations. Four M-16 black powders from the different sources were used as samples for this research. It was found that, after using calorimetric bomb technique, the gross heating value in Joules/g of sample S1-S4 were 10,647, 10,416, 5,281 and 3,878 respectively. The chemical compositions of carbon (C), hydrogen (H), nitrogen (N) and sulfer (S) have also been determined. The results indicated that carbon and nitrogen compositions of sample S1 shown the highest values and provided little differences with sample S2 while sample S3 and S4 shown the lowest carbon and nitrogen percentage composition. The hydrogen composition of all samples was equally valued, however, only sample 3 and 4 displayed sulfur values while no sulfur values were detected from sample 1 and 2. From these results, the heat values and chemical composition of M-16 black powders were characterized their sources and the energy values might be estimated from the amount of carbon and nitrogen in the black powders. Thus, it would be possible to use this determination analysis in the forensic investigation.

  9. 75 FR 35450 - Establishment of the Energy Efficiency and Renewable Energy Advisory Committee and Request for...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-06-22

    ... DEPARTMENT OF ENERGY Office of Energy Efficiency and Renewable Energy Establishment of the Energy Efficiency and Renewable Energy Advisory Committee and Request for Member Nominations AGENCY: Office of Energy Efficiency and Renewable Energy, U.S. Department of Energy. ACTION: Notice of Intent to Establish...

  10. 78 FR 29749 - Office of Energy Efficiency and Renewable Energy; Agency Information Collection Extension

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-05-21

    ... DEPARTMENT OF ENERGY Office of Energy Efficiency and Renewable Energy; Agency Information Collection Extension AGENCY: Office of Energy Efficiency and Renewable Energy, U.S. Department of Energy (DOE..., DC 20503 And to Mr. Dana O'Hara, Office of Energy Efficiency and Renewable Energy (EE- 2G), U.S...

  11. 77 FR 4999 - Decision and Order Granting a Waiver to LG From the Department of Energy Clothes Washer Test...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-02-01

    ... DEPARTMENT OF ENERGY Office of Energy Efficiency and Renewable Energy [Case No. CW-022] Decision...: Office of Energy Efficiency and Renewable Energy, Department of Energy. ACTION: Decision and Order.... Hogan, Deputy Assistant Secretary for Energy Efficiency, Energy Efficiency and Renewable Energy...

  12. Radioisotopic energy conversion system (RECS): A new radioisotopic power cell, based on nuclear, atomic, and radiation transport principles

    NASA Astrophysics Data System (ADS)

    Steinfelds, Eric Victor

    The topic of this thesis is the development of the Radioisotope Energy Conversion System (RECS) in a project which is utilizing analytical computational assisted design and some experimental Research in the investigation of fluorescers and effective transducers with the appropriate energy range choice for the conversion of energy. It is desirable to increase the efficiency in electrical power from the raw kinetic power available from the radioactive material within radioisotope power generators. A major step in this direction is the development and use of Radioisotope Energy Conversion Systems to supplement and ideally replace Radioactive Thermal Generators (RTG). It is possible to achieve electrical conversion efficiencies exceeding 25% for RECS power devices compared to only 9 percent efficiency for RTG's. The theoretical basis with existent materials for the potential achievability of efficiencies above 25% is documented within this thesis. The fundamental RECS consists of a radioisotope radiative source (C1), a mediating fluorescent gas (C2) which readily absorbs energy from the beta particles (or alpha's) and subsequently emits blue or UV photons, photovoltaic cells (C3) to convert the blue and UV photons into electrical energy [2], and electrical circuitry (C4). Solid State inspired component (C3), due to its theoretical (and attainable) high efficiency, is a large step ahead of the RTG design concept. The radioisotope flux source produces the beta(-) particles or alpha particles. Geometrically, presently, we prefer to have the ambient fluorescent gas surround the radioisotope flux source. Our fluorescer shall be a gas such as Krypton. Our specifically wide band-gap photovoltaic cells shall have gap energies which are slightly less than that of UV photons produced by the fluorescing gas. Diamond and Aluminum Nitride sample materials are good potential choices for photovoltaic cells, as is explained here in. Out of the material examples discussed, the highest electric power to mass ratio is found to be readily attainable with strontium-90 as the radiative source. Krypton-85 is indisputably the most efficient in RECS devices. In the conclusion in chapter VI, suggestions are given on acceptable ways of containing krypton-85 and providing sufficient shielding on deep space probes destined to use krypton-85 powered 'batteries'.

  13. Equilibrium Molecular Thermodynamics from Kirkwood Sampling

    PubMed Central

    2015-01-01

    We present two methods for barrierless equilibrium sampling of molecular systems based on the recently proposed Kirkwood method (J. Chem. Phys.2009, 130, 134102). Kirkwood sampling employs low-order correlations among internal coordinates of a molecule for random (or non-Markovian) sampling of the high dimensional conformational space. This is a geometrical sampling method independent of the potential energy surface. The first method is a variant of biased Monte Carlo, where Kirkwood sampling is used for generating trial Monte Carlo moves. Using this method, equilibrium distributions corresponding to different temperatures and potential energy functions can be generated from a given set of low-order correlations. Since Kirkwood samples are generated independently, this method is ideally suited for massively parallel distributed computing. The second approach is a variant of reservoir replica exchange, where Kirkwood sampling is used to construct a reservoir of conformations, which exchanges conformations with the replicas performing equilibrium sampling corresponding to different thermodynamic states. Coupling with the Kirkwood reservoir enhances sampling by facilitating global jumps in the conformational space. The efficiency of both methods depends on the overlap of the Kirkwood distribution with the target equilibrium distribution. We present proof-of-concept results for a model nine-atom linear molecule and alanine dipeptide. PMID:25915525

  14. 77 FR 23224 - Renewable Energy and Energy Efficiency Advisory Committee

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-04-18

    ... DEPARTMENT OF COMMERCE International Trade Administration Renewable Energy and Energy Efficiency... of an open meeting. SUMMARY: The Renewable Energy and Energy Efficiency Advisory Committee (RE&EEAC.... competitiveness in exporting renewable energy and energy efficiency (RE&EE) products and services, such as access...

  15. 10 CFR 435.4 - Energy efficiency performance standard.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 3 2010-01-01 2010-01-01 false Energy efficiency performance standard. 435.4 Section 435.4 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY STANDARDS FOR NEW FEDERAL LOW-RISE RESIDENTIAL BUILDINGS Mandatory Energy Efficiency Standards for Federal Low-Rise Residential...

  16. 10 CFR 435.4 - Energy efficiency performance standard.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 10 Energy 3 2012-01-01 2012-01-01 false Energy efficiency performance standard. 435.4 Section 435.4 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY STANDARDS FOR NEW FEDERAL LOW-RISE RESIDENTIAL BUILDINGS Mandatory Energy Efficiency Standards for Federal Low-Rise Residential...

  17. 10 CFR 435.4 - Energy efficiency performance standard.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 10 Energy 3 2013-01-01 2013-01-01 false Energy efficiency performance standard. 435.4 Section 435.4 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY STANDARDS FOR NEW FEDERAL LOW-RISE RESIDENTIAL BUILDINGS Mandatory Energy Efficiency Standards for Federal Low-Rise Residential...

  18. 10 CFR 435.4 - Energy efficiency performance standard.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 10 Energy 3 2014-01-01 2014-01-01 false Energy efficiency performance standard. 435.4 Section 435.4 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY STANDARDS FOR NEW FEDERAL LOW-RISE RESIDENTIAL BUILDINGS Mandatory Energy Efficiency Standards for Federal Low-Rise Residential...

  19. 10 CFR 433.7 - Water used to achieve energy efficiency. [Reserved

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 3 2010-01-01 2010-01-01 false Water used to achieve energy efficiency. [Reserved] 433.7 Section 433.7 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY STANDARDS FOR THE DESIGN... Water used to achieve energy efficiency. [Reserved] ...

  20. 10 CFR 435.4 - Energy efficiency performance standard.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 3 2011-01-01 2011-01-01 false Energy efficiency performance standard. 435.4 Section 435.4 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY STANDARDS FOR NEW FEDERAL LOW-RISE RESIDENTIAL BUILDINGS Mandatory Energy Efficiency Standards for Federal Low-Rise Residential...

  1. 10 CFR 433.7 - Water used to achieve energy efficiency. [Reserved

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 3 2011-01-01 2011-01-01 false Water used to achieve energy efficiency. [Reserved] 433.7 Section 433.7 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY STANDARDS FOR THE DESIGN... Water used to achieve energy efficiency. [Reserved] ...

  2. 78 FR 2952 - Renewable Energy and Energy Efficiency Advisory Committee

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-01-15

    ... DEPARTMENT OF COMMERCE International Trade Administration Renewable Energy and Energy Efficiency... of an open meeting. SUMMARY: The Renewable Energy and Energy Efficiency Advisory Committee (RE&EEAC... competitiveness of U.S. renewable energy and energy efficiency exports. The meeting is open to the public and the...

  3. 10 CFR 433.4 - Energy efficiency performance standard.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 10 Energy 3 2014-01-01 2014-01-01 false Energy efficiency performance standard. 433.4 Section 433.4 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY STANDARDS FOR NEW FEDERAL COMMERCIAL AND MULTI-FAMILY HIGH-RISE RESIDENTIAL BUILDINGS § 433.4 Energy efficiency performance standard...

  4. 10 CFR 433.4 - Energy efficiency performance standard.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 10 Energy 3 2012-01-01 2012-01-01 false Energy efficiency performance standard. 433.4 Section 433.4 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY STANDARDS FOR NEW FEDERAL COMMERCIAL AND MULTI-FAMILY HIGH-RISE RESIDENTIAL BUILDINGS § 433.4 Energy efficiency performance standard...

  5. 10 CFR 433.4 - Energy efficiency performance standard.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 10 Energy 3 2013-01-01 2013-01-01 false Energy efficiency performance standard. 433.4 Section 433.4 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY STANDARDS FOR NEW FEDERAL COMMERCIAL AND MULTI-FAMILY HIGH-RISE RESIDENTIAL BUILDINGS § 433.4 Energy efficiency performance standard...

  6. Nb2O5 nanowires in-situ grown on carbon fiber: A high-efficiency material for the photocatalytic reduction of Cr(VI).

    PubMed

    Du, Yucheng; Zhang, Shihao; Wang, Jinshu; Wu, Junshu; Dai, Hongxing

    2018-04-01

    Niobium oxide nanowire-deposited carbon fiber (CF) samples were prepared using a hydrothermal method with amorphous Nb 2 O 5 ·nH 2 O as precursor. The physical properties of the samples were characterized by means of numerous techniques, including X-ray diffraction (XRD), energy-dispersive spectroscopy (EDS), scanning electron microscopy (SEM), transmission electron microscopy (TEM), selected-area electron diffraction (SAED), UV-visible spectroscopy (UV-vis), N 2 adsorption-desorption, Fourier transform infrared spectroscopy (FT-IR), and X-ray photoelectron spectroscopy. The efficiency for the removal of Cr(VI) was determined. Parameters such as pH value and initial Cr(VI) concentration could influence the Cr(VI) removal efficiency or adsorption capacity of the Nb 2 O 5 /carbon fiber sample obtained after hydrothermal treatment at 160°C for 14hr. The maximal Cr(VI) adsorption capacity of the Nb 2 O 5 nanowire/CF sample was 115mg/g. This Nb 2 O 5 /CF sample also showed excellent photocatalytic activity and stability for the reduction of Cr(VI) under UV-light irradiation: the Cr(VI) removal efficiency reached 99.9% after UV-light irradiation for 1hr and there was no significant decrease in photocatalytic performance after the use of the sample for 10 repeated cycles. Such excellent Cr(VI) adsorption capacity and photocatalytic performance was related to its high surface area, abundant surface hydroxyl groups, and good UV-light absorption ability. Copyright © 2017. Published by Elsevier B.V.

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

    Fujimoto, Cy H.; Kim, Soowhan; Stains, Ronald

    Sulfonated Diels Alder poly(phenylene) (SDAPP) was examined for vanadium redox flow battery (VRFB) use. The ion exchange capacity (IEC) was varied from 1.4, 1.6 and 2.0 meq/g in order to tune the proton conductivity and vanadium permeability. Coulombic efficiencies between 92 to 99% were observed, depending on IEC (lower IEC, higher coulombic efficiencies). In all cases the SDAPP displayed comparable energy efficiencies (88 - 90%) to Nafion 117 (88%) at 50mA/cm2. Membrane durability also was dependent on IEC; SDAPP with the highest IEC lasted slightly over 50 cycles while SDAPP with the lowest IEC lasted over 400 cycles and testingmore » was discontinued only due to time constraints. Accelerated vanadium lifetime studies were initialed with SDAPP, by soaking films in a 0.1 M V5+ and 5.0 M total SO4-2 solution. The rate of degradation was also proportional with IEC; the 2 meq/g sample dissolved within 376 hours, the 1.6 meq/g sample dissolved after 860 hours, while the 1.4 meq/g sample broke apart after 1527 hours.« less

  8. 77 FR 75428 - Decision and Order Granting a Waiver to Samsung From the Department of Energy Residential...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-12-20

    ... DEPARTMENT OF ENERGY Office of Energy Efficiency and Renewable Energy [Case No. RF-021] Decision... Refrigerator-Freezer Test Procedures AGENCY: Office of Energy Efficiency and Renewable Energy, Department of... Assistant Secretary for Energy Efficiency, Energy Efficiency and Renewable Energy. Decision and Order In the...

  9. 78 FR 53374 - Energy Conservation Program for Consumer Products: Test Procedures for Refrigerators...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-08-29

    ... Freezers AGENCY: Office of Energy Efficiency and Renewable Energy, Department of Energy. ACTION: Extension... INFORMATION CONTACT: Mr. Lucas Adin, U.S. Department of Energy, Office of Energy Efficiency and Renewable... Energy Efficiency, Energy Efficiency and Renewable Energy. [FR Doc. 2013-21115 Filed 8-28-13; 8:45 am...

  10. Modeling recombination processes and predicting energy conversion efficiency of dye sensitized solar cells from first principles

    NASA Astrophysics Data System (ADS)

    Ma, Wei; Meng, Sheng

    2014-03-01

    We present a set of algorithms based on solo first principles calculations, to accurately calculate key properties of a DSC device including sunlight harvest, electron injection, electron-hole recombination, and open circuit voltages. Two series of D- π-A dyes are adopted as sample dyes. The short circuit current can be predicted by calculating the dyes' photo absorption, and the electron injection and recombination lifetime using real-time time-dependent density functional theory (TDDFT) simulations. Open circuit voltage can be reproduced by calculating energy difference between the quasi-Fermi level of electrons in the semiconductor and the electrolyte redox potential, considering the influence of electron recombination. Based on timescales obtained from real time TDDFT dynamics for excited states, the estimated power conversion efficiency of DSC fits nicely with the experiment, with deviation below 1-2%. Light harvesting efficiency, incident photon-to-electron conversion efficiency and the current-voltage characteristics can also be well reproduced. The predicted efficiency can serve as either an ideal limit for optimizing photovoltaic performance of a given dye, or a virtual device that closely mimicking the performance of a real device under different experimental settings.

  11. Fallback accretion on to a newborn magnetar: long GRBs with giant X-ray flares

    NASA Astrophysics Data System (ADS)

    Gibson, S. L.; Wynn, G. A.; Gompertz, B. P.; O'Brien, P. T.

    2018-05-01

    Flares in the X-ray afterglow of gamma-ray bursts (GRBs) share more characteristics with the prompt emission than the afterglow, such as pulse profile and contained fluence. As a result, they are believed to originate from late-time activity of the central engine and can be used to constrain the overall energy budget. In this paper, we collect a sample of 19 long GRBs observed by Swift-XRT that contain giant flares in their X-ray afterglows. We fit this sample with a version of the magnetar propeller model, modified to include fallback accretion. This model has already successfully reproduced extended emission in short GRBs. Our best fits provide a reasonable morphological match to the light curves. However, 16 out of 19 of the fits require efficiencies for the propeller mechanism that approach 100%. The high efficiency parameters are a direct result of the high energy contained in the flares and the extreme duration of the dipole component, which forces either slow spin periods or low magnetic fields. We find that even with the inclusion of significant fallback accretion, in all but a few cases it is energetically challenging to produce prompt emission, afterglow and giant flares within the constraints of the rotational energy budget of a magnetar.

  12. 77 FR 14509 - State Energy Program and Energy Efficiency and Conservation Block Grant (EECBG) Program; Request...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-03-12

    ... DEPARTMENT OF ENERGY [Docket No. EESEP0216] State Energy Program and Energy Efficiency and Conservation Block Grant (EECBG) Program; Request for Information AGENCY: Office of Energy Efficiency and... (SEP) and Energy Efficiency and Conservation Block Grant (EECBG) program, in support of energy...

  13. 10 CFR 435.7 - Water used to achieve energy efficiency. [Reserved

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 3 2011-01-01 2011-01-01 false Water used to achieve energy efficiency. [Reserved] 435.7 Section 435.7 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY STANDARDS FOR NEW FEDERAL LOW-RISE RESIDENTIAL BUILDINGS Mandatory Energy Efficiency Standards for Federal Low-Rise Residential...

  14. 10 CFR 431.97 - Energy efficiency standards and their effective dates.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 3 2011-01-01 2011-01-01 false Energy efficiency standards and their effective dates. 431.97 Section 431.97 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY PROGRAM FOR CERTAIN COMMERCIAL AND INDUSTRIAL EQUIPMENT Commercial Air Conditioners and Heat Pumps Energy Efficiency...

  15. 10 CFR 435.7 - Water used to achieve energy efficiency. [Reserved

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 10 Energy 3 2014-01-01 2014-01-01 false Water used to achieve energy efficiency. [Reserved] 435.7 Section 435.7 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY STANDARDS FOR NEW FEDERAL LOW-RISE RESIDENTIAL BUILDINGS Mandatory Energy Efficiency Standards for Federal Low-Rise Residential...

  16. 10 CFR 431.97 - Energy efficiency standards and their compliance dates.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 10 Energy 3 2013-01-01 2013-01-01 false Energy efficiency standards and their compliance dates. 431.97 Section 431.97 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY PROGRAM FOR CERTAIN COMMERCIAL AND INDUSTRIAL EQUIPMENT Commercial Air Conditioners and Heat Pumps Energy Efficiency...

  17. 10 CFR 431.97 - Energy efficiency standards and their effective dates.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 3 2010-01-01 2010-01-01 false Energy efficiency standards and their effective dates. 431.97 Section 431.97 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY PROGRAM FOR CERTAIN COMMERCIAL AND INDUSTRIAL EQUIPMENT Commercial Air Conditioners and Heat Pumps Energy Efficiency...

  18. 10 CFR 435.7 - Water used to achieve energy efficiency. [Reserved

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 10 Energy 3 2012-01-01 2012-01-01 false Water used to achieve energy efficiency. [Reserved] 435.7 Section 435.7 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY STANDARDS FOR NEW FEDERAL LOW-RISE RESIDENTIAL BUILDINGS Mandatory Energy Efficiency Standards for Federal Low-Rise Residential...

  19. 10 CFR 431.97 - Energy efficiency standards and their compliance dates.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 10 Energy 3 2014-01-01 2014-01-01 false Energy efficiency standards and their compliance dates. 431.97 Section 431.97 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY PROGRAM FOR CERTAIN COMMERCIAL AND INDUSTRIAL EQUIPMENT Commercial Air Conditioners and Heat Pumps Energy Efficiency...

  20. 10 CFR 435.7 - Water used to achieve energy efficiency. [Reserved

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 3 2010-01-01 2010-01-01 false Water used to achieve energy efficiency. [Reserved] 435.7 Section 435.7 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY STANDARDS FOR NEW FEDERAL LOW-RISE RESIDENTIAL BUILDINGS Mandatory Energy Efficiency Standards for Federal Low-Rise Residential...

  1. 10 CFR 431.97 - Energy efficiency standards and their effective dates.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 10 Energy 3 2012-01-01 2012-01-01 false Energy efficiency standards and their effective dates. 431.97 Section 431.97 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY PROGRAM FOR CERTAIN COMMERCIAL AND INDUSTRIAL EQUIPMENT Commercial Air Conditioners and Heat Pumps Energy Efficiency...

  2. Energy Efficiency Roadmap for Uganda, Making Energy Efficiency Count. Executive Summary

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

    de la Rue du Can, Stephane; Pudleiner, David; Jones, David

    Like many countries in Sub-Saharan Africa, Uganda has focused its energy sector investments largely on increasing energy access by increasing energy supply. The links between energy efficiency and energy access, the importance of energy efficiency in new energy supply, and the multiple benefits of energy efficiency for the level and quality of energy available, have been largely overlooked. Implementing energy efficiency in parallel with expanding both the electricity grid and new clean energy generation reduces electricity demand and helps optimize the power supply so that it can serve more customers reliably at minimum cost. Ensuring efficient appliances are incorporated intomore » energy access efforts provides improved energy services to customers. Energy efficiency is an important contributor to access to modern energy. This Energy Efficiency Roadmap for Uganda (Roadmap) is a response to the important role that electrical energy efficiency can play in meeting Uganda’s energy goals. Power Africa and the United Nations Sustainable Energy for All (SEforALL) initiatives collaborated with more than 24 stakeholders in Uganda to develop this document. The document estimates that if the most efficient technologies on the market were adopted, 2,224 gigawatt hours could be saved in 2030 across all sectors, representing 31% of the projected load. This translates into 341 megawatts of peak demand reductions, energy access to an additional 6 million rural customers and reduction of carbon dioxide emissions by 10.6 million tonnes in 2030. The Roadmap also finds that 91% of this technical potential is cost-effective, and 47% is achievable under conservative assumptions. The Roadmap prioritizes recommendations for implementing energy efficiency and maximizing benefits to meet the goals and priorities established in Uganda’s 2015 SEforALL Action Agenda. One important step is to create and increase demand for efficiency through long-term enabling policies and financial incentives combined with development of technical expertise in the labor force to allow for the promotion of new business models, such as energy service companies. A combination of enabling policies, financial schemes, regulations, enforcement, and skill development are needed to open the energy efficiency market.« less

  3. 77 FR 31756 - Energy Conservation Program: Alternative Efficiency Determination Methods and Alternative Rating...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-05-30

    ...-AC46 Energy Conservation Program: Alternative Efficiency Determination Methods and Alternative Rating Methods: Public Meeting AGENCY: Office of Energy Efficiency and Renewable Energy, Department of Energy... regulations authorizing the use of alternative methods of determining energy efficiency or energy consumption...

  4. The Benefits of Soft Sensor and Multi-Rate Control for the Implementation of Wireless Networked Control Systems

    PubMed Central

    Mansano, Raul K.; Godoy, Eduardo P.; Porto, Arthur J. V.

    2014-01-01

    Recent advances in wireless networking technology and the proliferation of industrial wireless sensors have led to an increasing interest in using wireless networks for closed loop control. The main advantages of Wireless Networked Control Systems (WNCSs) are the reconfigurability, easy commissioning and the possibility of installation in places where cabling is impossible. Despite these advantages, there are two main problems which must be considered for practical implementations of WNCSs. One problem is the sampling period constraint of industrial wireless sensors. This problem is related to the energy cost of the wireless transmission, since the power supply is limited, which precludes the use of these sensors in several closed-loop controls. The other technological concern in WNCS is the energy efficiency of the devices. As the sensors are powered by batteries, the lowest possible consumption is required to extend battery lifetime. As a result, there is a compromise between the sensor sampling period, the sensor battery lifetime and the required control performance for the WNCS. This paper develops a model-based soft sensor to overcome these problems and enable practical implementations of WNCSs. The goal of the soft sensor is generating virtual data allowing an actuation on the process faster than the maximum sampling period available for the wireless sensor. Experimental results have shown the soft sensor is a solution to the sampling period constraint problem of wireless sensors in control applications, enabling the application of industrial wireless sensors in WNCSs. Additionally, our results demonstrated the soft sensor potential for implementing energy efficient WNCS through the battery saving of industrial wireless sensors. PMID:25529208

  5. Evaluation of the "Lose Your Excuse" public service advertising campaign for tweens to save energy.

    PubMed

    Bertrand, Jane T; Goldman, Patty; Zhivan, Natalia; Agyeman, Yaw; Barber, Erin

    2011-10-01

    This study evaluates the 2008-2009 "Lose your Excuse" public service advertising (PSA) campaign on energy efficiency targeting 8- to 12-year-olds, intended to increase knowledge, foster proactive attitudes, and change energy usage behaviors. Baseline and two follow-up surveys were conducted with online samples representative of the national population of households with kids with online access. Almost half (47%) of the tweens recognized at least one ad from the campaign. Ad recognition was positively associated with knowledge, proactive attitudes, and energy-saving behavior. Propensity score analysis confirmed a small but measurable and statistically significant effect on energy-saving behavior. The discussion section compares these results to public health campaigns in terms of ghost awareness, reach, and effect size.

  6. Energy efficiency of mobile soft robots.

    PubMed

    Shui, Langquan; Zhu, Liangliang; Yang, Zhe; Liu, Yilun; Chen, Xi

    2017-11-15

    The performance of mobile soft robots is usually characterized by their locomotion/velocity efficiency, whereas the energy efficiency is a more intrinsic and fundamental criterion for the performance evaluation of independent or integrated soft robots. In this work, a general framework is established to evaluate the energy efficiency of mobile soft robots by considering the efficiency of the energy source, actuator and locomotion, and some insights for improving the efficiency of soft robotic systems are presented. Proposed as the ratio of the desired locomotion kinetic energy to the input mechanical energy, the energy efficiency of locomotion is found to play a critical role in determining the overall energy efficiency of soft robots. Four key factors related to the locomotion energy efficiency are identified, that is, the locomotion modes, material properties, geometric sizes, and actuation states. It is found that the energy efficiency of most mobile soft robots reported in the literature is surprisingly low (mostly below 0.1%), due to the inefficient mechanical energy that essentially does not contribute to the desired locomotion. A comparison of the locomotion energy efficiency for several representative locomotion modes in the literature is presented, showing a descending ranking as: jumping ≫ fish-like swimming > snake-like slithering > rolling > rising/turning over > inchworm-like inching > quadruped gait > earthworm-like squirming. Besides, considering the same locomotion mode, soft robots with lower stiffness, higher density and larger size tend to have higher locomotion energy efficiency. Moreover, a periodic pulse actuation instead of a continuous actuation mode may significantly reduce the input mechanical energy, thus improving the locomotion energy efficiency, especially when the pulse actuation matches the resonant states of the soft robots. The results presented herein indicate a large and necessary space for improving the locomotion energy efficiency, which is of practical significance for the future development and application of soft robots.

  7. 77 FR 5001 - Publication of the Petition for Waiver From Empire Comfort Systems From the Department of Energy...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-02-01

    ... DEPARTMENT OF ENERGY Office of Energy Efficiency and Renewable Energy [Case No. VHE-001... Heating Equipment Test Procedure AGENCY: Office of Energy Efficiency and Renewable Energy, Department of... Energy Efficiency, Energy Efficiency and Renewable Energy. [FR Doc. 2012-2181 Filed 1-31-12; 8:45 am...

  8. 10 CFR 431.325 - Units to be tested.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... EQUIPMENT Metal Halide Lamp Ballasts and Fixtures Test Procedures § 431.325 Units to be tested. For each basic model of metal halide lamp ballast selected for testing, a sample of sufficient size, no less than... energy efficiency calculated as the measured output power to the lamp divided by the measured input power...

  9. Semiconducting lithium indium diselenide: Charge-carrier properties and the impacts of high flux thermal neutron irradiation

    NASA Astrophysics Data System (ADS)

    Hamm, Daniel S.; Rust, Mikah; Herrera, Elan H.; Matei, Liviu; Buliga, Vladimir; Groza, Michael; Burger, Arnold; Stowe, Ashley; Preston, Jeff; Lukosi, Eric D.

    2018-06-01

    This paper reports on the charge carrier properties of several lithium indium diselenide (LISe) semiconductors. It was found that the charge collection efficiency of LISe was improved after high flux thermal neutron irradiation including the presence of a typically unobservable alpha peak from hole-only collection. Charge carrier trap energies of the irradiated sample were measured using photo-induced current transient spectroscopy. Compared to previous studies of this material, no significant differences in trap energies were observed. Through trap-filled limited voltage measurements, neutron irradiation was found to increase the density of trap states within the bulk of the semiconductor, which created a polarization effect under alpha exposure but not neutron exposure. Further, the charge collection efficiency of the irradiated sample was higher (14-15 fC) than that of alpha particles (3-5 fC), indicating that an increase in hole signal contribution resulted from the neutron irradiation. Finally, it was observed that significant charge loss takes place near the point of generation, producing a significant scintillation response and artificially inflating the W-value of all semiconducting LISe crystals.

  10. Deterministic alternatives to the full configuration interaction quantum Monte Carlo method for strongly correlated systems

    NASA Astrophysics Data System (ADS)

    Tubman, Norm; Whaley, Birgitta

    The development of exponential scaling methods has seen great progress in tackling larger systems than previously thought possible. One such technique, full configuration interaction quantum Monte Carlo, allows exact diagonalization through stochastically sampling of determinants. The method derives its utility from the information in the matrix elements of the Hamiltonian, together with a stochastic projected wave function, which are used to explore the important parts of Hilbert space. However, a stochastic representation of the wave function is not required to search Hilbert space efficiently and new deterministic approaches have recently been shown to efficiently find the important parts of determinant space. We shall discuss the technique of Adaptive Sampling Configuration Interaction (ASCI) and the related heat-bath Configuration Interaction approach for ground state and excited state simulations. We will present several applications for strongly correlated Hamiltonians. This work was supported through the Scientific Discovery through Advanced Computing (SciDAC) program funded by the U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences.

  11. 10 CFR 431.444 - Test procedures for the measurement of energy efficiency.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 3 2011-01-01 2011-01-01 false Test procedures for the measurement of energy efficiency. 431.444 Section 431.444 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY PROGRAM FOR... procedures for the measurement of energy efficiency. (a) Scope. Pursuant to section 346(b)(1) of EPCA, this...

  12. 10 CFR 431.444 - Test procedures for the measurement of energy efficiency.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 3 2010-01-01 2010-01-01 false Test procedures for the measurement of energy efficiency. 431.444 Section 431.444 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY PROGRAM FOR... procedures for the measurement of energy efficiency. (a) Scope. Pursuant to section 346(b)(1) of EPCA, this...

  13. 75 FR 31323 - Energy Efficiency Program: Energy Conservation Standards Furnace Fans: Public Meeting and...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-06-03

    .... EERE-2010-BT-STD-0011] RIN 1904-AC22 Energy Efficiency Program: Energy Conservation Standards Furnace Fans: Public Meeting and Availability of the Framework Document AGENCY: Office of Energy Efficiency and... Energy, Office of Energy Efficiency and Renewable Energy, Building Technologies, EE-2J, 1000 Independence...

  14. 10 CFR 433.7 - Water used to achieve energy efficiency. [Reserved

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 10 Energy 3 2014-01-01 2014-01-01 false Water used to achieve energy efficiency. [Reserved] 433.7 Section 433.7 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY STANDARDS FOR NEW FEDERAL COMMERCIAL AND MULTI-FAMILY HIGH-RISE RESIDENTIAL BUILDINGS § 433.7 Water used to achieve energy efficiency...

  15. 10 CFR 433.7 - Water used to achieve energy efficiency. [Reserved

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 10 Energy 3 2012-01-01 2012-01-01 false Water used to achieve energy efficiency. [Reserved] 433.7 Section 433.7 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY STANDARDS FOR NEW FEDERAL COMMERCIAL AND MULTI-FAMILY HIGH-RISE RESIDENTIAL BUILDINGS § 433.7 Water used to achieve energy efficiency...

  16. Data Center Energy Efficiency Standards in India: Preliminary Findings from Global Practices

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

    Raje, Sanyukta; Maan, Hermant; Ganguly, Suprotim

    Global data center energy consumption is growing rapidly. In India, information technology industry growth, fossil-fuel generation, and rising energy prices add significant operational costs and carbon emissions from energy-intensive data centers. Adoption of energy-efficient practices can improve the global competitiveness and sustainability of data centers in India. Previous studies have concluded that advancement of energy efficiency standards through policy and regulatory mechanisms is the fastest path to accelerate the adoption of energy-efficient practices in the Indian data centers. In this study, we reviewed data center energy efficiency practices in the United States, Europe, and Asia. Using evaluation metrics, we identifiedmore » an initial set of energy efficiency standards applicable to the Indian context using the existing policy mechanisms. These preliminary findings support next steps to recommend energy efficiency standards and inform policy makers on strategies to adopt energy-efficient technologies and practices in Indian data centers.« less

  17. Enhanced light emission near 2.7 μm from Er-Nd co-doped germanate glass

    NASA Astrophysics Data System (ADS)

    Bai, Gongxun; Tao, Lili; Li, Kefeng; Hu, Lili; Tsang, Yuen Hong

    2013-04-01

    Laser glass gain medium that can convert low cost 808 nm diode laser into 2.7 μm has attracted considerable interest due to its potential application for medical surgery fiber laser system. In this study, enhanced 2.7 μm emission has been achieved in Er3+:germanate glass by co-doping with Nd3+ ions under the excitation of an 808 nm diode laser. In the co-doped sample, the experimental results show that the harmful visible emissions via up-conversion were effectively restricted. The reduction of 1.5 μm emission was also detected in the co-doped sample, which indicates significant de-excitation of 4I13/2 Er3+ ion through energy transfer and non-radiative decay in Nd3+ ions. In conclusion, the 2.7 μm emission enhancement achieved was due to the increased optical absorption of 808 nm, efficient energy transfer (ET) with efficiency of 81.73% between Er3+ and Nd3+ ions, and shortening the lifetime of the lower lasing level 4I13/2 Er3+ in the co-doped sample. Therefore, Er3+/Nd3+ co-doped germanate glass could be used to fabricate fiber optical gain media for 2.7 μm laser generation.

  18. Identification of Hot Moments and Hot Spots for Real-Time Adaptive Control of Multi-scale Environmental Sensor Networks

    NASA Astrophysics Data System (ADS)

    Wietsma, T.; Minsker, B. S.

    2012-12-01

    Increased sensor throughput combined with decreasing hardware costs has led to a disruptive growth in data volume. This disruption, popularly termed "the data deluge," has placed new demands for cyberinfrastructure and information technology skills among researchers in many academic fields, including the environmental sciences. Adaptive sampling has been well established as an effective means of improving network resource efficiency (energy, bandwidth) without sacrificing sample set quality relative to traditional uniform sampling. However, using adaptive sampling for the explicit purpose of improving resolution over events -- situations displaying intermittent dynamics and unique hydrogeological signatures -- is relatively new. In this paper, we define hot spots and hot moments in terms of sensor signal activity as measured through discrete Fourier analysis. Following this frequency-based approach, we apply the Nyquist-Shannon sampling theorem, a fundamental contribution from signal processing that led to the field of information theory, for analysis of uni- and multivariate environmental signal data. In the scope of multi-scale environmental sensor networks, we present several sampling control algorithms, derived from the Nyquist-Shannon theorem, that operate at local (field sensor), regional (base station for aggregation of field sensor data), and global (Cloud-based, computationally intensive models) scales. Evaluated over soil moisture data, results indicate significantly greater sample density during precipitation events while reducing overall sample volume. Using these algorithms as indicators rather than control mechanisms, we also discuss opportunities for spatio-temporal modeling as a tool for planning/modifying sensor network deployments. Locally adaptive model based on Nyquist-Shannon sampling theorem Pareto frontiers for local, regional, and global models relative to uniform sampling. Objectives are (1) overall sampling efficiency and (2) sampling efficiency during hot moments as identified using heuristic approach.

  19. Birth weight predicted baseline muscular efficiency, but not response of energy expenditure to calorie restriction: An empirical test of the predictive adaptive response hypothesis.

    PubMed

    Workman, Megan; Baker, Jack; Lancaster, Jane B; Mermier, Christine; Alcock, Joe

    2016-07-01

    Aiming to test the evolutionary significance of relationships linking prenatal growth conditions to adult phenotypes, this study examined whether birth size predicts energetic savings during fasting. We specifically tested a Predictive Adaptive Response (PAR) model that predicts greater energetic saving among adults who were born small. Data were collected from a convenience sample of young adults living in Albuquerque, NM (n = 34). Indirect calorimetry quantified changes in resting energy expenditure (REE) and active muscular efficiency that occurred in response to a 29-h fast. Multiple regression analyses linked birth weight to baseline and postfast metabolic values while controlling for appropriate confounders (e.g., sex, body mass). Birth weight did not moderate the relationship between body size and energy expenditure, nor did it predict the magnitude change in REE or muscular efficiency observed from baseline to after fasting. Alternative indicators of birth size were also examined (e.g., low v. normal birth weight, comparison of tertiles), with no effects found. However, baseline muscular efficiency improved by 1.1% per 725 g (S.D.) increase in birth weight (P = 0.037). Birth size did not influence the sensitivity of metabolic demands to fasting-neither at rest nor during activity. Moreover, small birth size predicted a reduction in the efficiency with which muscles convert energy expended into work accomplished. These results do not support the ascription of adaptive function to phenotypes associated with small birth size. © 2015 Wiley Periodicals, Inc. Am. J. Hum. Biol. 28:484-492, 2016. © 2015 Wiley Periodicals, Inc. © 2015 Wiley Periodicals, Inc.

  20. Ultrasound assisted biogas production from co-digestion of wastewater sludges and agricultural wastes: Comparison with microwave pre-treatment.

    PubMed

    Aylin Alagöz, B; Yenigün, Orhan; Erdinçler, Ayşen

    2018-01-01

    This study investigates the effect of ultrasonication and microwave sludge disintegration/pre-treatment techniques on the anaerobic co-digestion efficiency of wastewater sludges with olive and grape pomaces. The effects of both co-digestion and sludge pre-treatment techniques were evaluated in terms of the organic removal efficiency and the biogas production. The "co-digestion" of wastewater sludge with both types of pomaces was revealed to be a much more efficient way for the biogas production compared to the single (mono) sludge digestion. The ultrasonication and microwave pre-treatments applied to the sludge samples caused to a further increase in biogas and methane yields. Based on applied specific energies, ultrasonication pre-treatment was found much more effective than microwave irradiation. The specific energy applied in microwave pre-treatment (87,000kj/kgTS) was almost 9 times higher than that of used in ultrasonication (10,000kj/kgTS), resulting only 10-15% increases in biogas/methane yield. Co-digestion of winery and olive industry residues with pre-treated wastewater sludges appears to be a suitable technique for waste management and energy production. Copyright © 2017 Elsevier B.V. All rights reserved.

  1. 75 FR 32177 - Energy Efficiency Program for Consumer Products: Commonwealth of Massachusetts Petition for...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-06-07

    ... DEPARTMENT OF ENERGY Office of Energy Efficiency and Renewable Energy [Docket Number EERE-BT-PET-0024] Energy Efficiency Program for Consumer Products: Commonwealth of Massachusetts Petition for Exemption From Federal Preemption of Massachusetts' Energy Efficiency Standard for Residential Non...

  2. 10 CFR 431.383 - Enforcement process for electric motors.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 431.383 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY PROGRAM FOR CERTAIN... not be in compliance with the applicable energy efficiency standard, or upon undertaking to ascertain... its labeled efficiency, or the applicable energy efficiency standard, shall be based on the testing...

  3. Measurement of fast neutron detection efficiency with 6Li and 7Li enriched CLYC scintillators

    NASA Astrophysics Data System (ADS)

    Mentana, A.; Camera, F.; Giaz, A.; Blasi, N.; Brambilla, S.; Ceruti, S.; Gini, L.; Groppi, F.; Manenti, S.; Million, B.; Riboldi, S.

    2016-10-01

    The CLYC (Cs2LiYC6:Ce) crystal belongs to the elpasolite scintillator family, discovered about 15 years ago. It is a very interesting material because of its good energy resolution and its capability to identify and measure gamma rays and fast/thermal neutrons. In the present work, the fast neutron detection efficiency for two different CLYC cylindrical samples has been measured. These two crystals, both with dimension (thickness x diameter) 1”×1”, were respectively enriched with more than 99% of 7Li (CLYC-7) and with ∼ 95% of 6Li (CLYC-6). The presence of the 6Li isotope makes the CLYC-6 ideal to detect thermal neutrons. In order to compare the two scintillators, only the detection efficiency for fast neutrons was considered, neglecting the energy region associated to thermal neutrons in both the crystals. The measurement was performed at the L.A.S.A. Laboratory of INFN and University of Milano (Italy), using a 241Am-Be source.

  4. Spatial econometric analysis of factors influencing regional energy efficiency in China.

    PubMed

    Song, Malin; Chen, Yu; An, Qingxian

    2018-05-01

    Increased environmental pollution and energy consumption caused by the country's rapid development has raised considerable public concern, and has become the focus of the government and public. This study employs the super-efficiency slack-based model-data envelopment analysis (SBM-DEA) to measure the total factor energy efficiency of 30 provinces in China. The estimation model for the spatial interaction intensity of regional total factor energy efficiency is based on Wilson's maximum entropy model. The model is used to analyze the factors that affect the potential value of total factor energy efficiency using spatial dynamic panel data for 30 provinces during 2000-2014. The study found that there are differences and spatial correlations of energy efficiency among provinces and regions in China. The energy efficiency in the eastern, central, and western regions fluctuated significantly, and was mainly because of significant energy efficiency impacts on influences of industrial structure, energy intensity, and technological progress. This research is of great significance to China's energy efficiency and regional coordinated development.

  5. Metadynamic metainference: Enhanced sampling of the metainference ensemble using metadynamics

    PubMed Central

    Bonomi, Massimiliano; Camilloni, Carlo; Vendruscolo, Michele

    2016-01-01

    Accurate and precise structural ensembles of proteins and macromolecular complexes can be obtained with metainference, a recently proposed Bayesian inference method that integrates experimental information with prior knowledge and deals with all sources of errors in the data as well as with sample heterogeneity. The study of complex macromolecular systems, however, requires an extensive conformational sampling, which represents a separate challenge. To address such challenge and to exhaustively and efficiently generate structural ensembles we combine metainference with metadynamics and illustrate its application to the calculation of the free energy landscape of the alanine dipeptide. PMID:27561930

  6. Determination of efficiency of an aged HPGe detector for gaseous sources by self absorption correction and point source methods

    NASA Astrophysics Data System (ADS)

    Sarangapani, R.; Jose, M. T.; Srinivasan, T. K.; Venkatraman, B.

    2017-07-01

    Methods for the determination of efficiency of an aged high purity germanium (HPGe) detector for gaseous sources have been presented in the paper. X-ray radiography of the detector has been performed to get detector dimensions for computational purposes. The dead layer thickness of HPGe detector has been ascertained from experiments and Monte Carlo computations. Experimental work with standard point and liquid sources in several cylindrical geometries has been undertaken for obtaining energy dependant efficiency. Monte Carlo simulations have been performed for computing efficiencies for point, liquid and gaseous sources. Self absorption correction factors have been obtained using mathematical equations for volume sources and MCNP simulations. Self-absorption correction and point source methods have been used to estimate the efficiency for gaseous sources. The efficiencies determined from the present work have been used to estimate activity of cover gas sample of a fast reactor.

  7. 76 FR 25683 - State Energy Advisory Board (STEAB); Meeting

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-05-05

    ... DEPARTMENT OF ENERGY Energy Efficiency and Renewable Energy State Energy Advisory Board (STEAB); Meeting AGENCY: Energy Efficiency and Renewable Energy, Department of Energy. ACTION: Notice of Open... Energy Efficiency and Renewable Energy, 1000 Independence Avenue, SW., Washington DC 20585; or e-mail...

  8. 76 FR 30143 - Agency Information Collection Extension

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-05-24

    ... DEPARTMENT OF ENERGY Office of Energy Efficiency and Renewable Energy Agency Information..., Buy American Coordinator, Office of Energy Efficiency and Renewable Energy (EERE), Department of... Energy Efficiency and Renewable Energy (EERE), Department of Energy, 1000 Independence Avenue, SW...

  9. Energy Efficiency Resources to Support State Energy Planning

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

    Office of Strategic Programs, Strategic Priorities and Impact Analysis Team

    An early step for most energy efficiency planning is to identify and quantify energy savings opportunities, and then to understand how to access this potential. The U.S. Department of Energy’s Office of Energy Efficiency and Renewable Energy offers resources that can help with both of these steps. This fact sheet presents those resources. The resources are also available on the DOE State and Local Solution Center on the "Energy Efficiency: Savings Opportunities and Benefits" page: https://energy.gov/eere/slsc/energy-efficiency-savings-opportunities-and-benefits.

  10. Energy efficiency public service advertising campaign

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

    Gibson-Grant, Amanda

    The Advertising Council (“the Ad Council”) and The United States Department of Energy (DOE) created and launched a national public service advertising campaign designed to promote energy efficiency. The objective of the Energy Efficiency campaign was to redefine how consumers approach energy efficiency by showing that saving energy can save homeowners money.

  11. 13 CFR 101.500 - Small Business Energy Efficiency Program.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 13 Business Credit and Assistance 1 2013-01-01 2013-01-01 false Small Business Energy Efficiency... ADMINISTRATION Small Business Energy Efficiency § 101.500 Small Business Energy Efficiency Program. (a) The.../energy, building on the Energy Star for Small Business Program, to assist small business concerns in...

  12. 13 CFR 101.500 - Small Business Energy Efficiency Program.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 13 Business Credit and Assistance 1 2010-01-01 2010-01-01 false Small Business Energy Efficiency... ADMINISTRATION Small Business Energy Efficiency § 101.500 Small Business Energy Efficiency Program. (a) The.../energy, building on the Energy Star for Small Business Program, to assist small business concerns in...

  13. 13 CFR 101.500 - Small Business Energy Efficiency Program.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 13 Business Credit and Assistance 1 2011-01-01 2011-01-01 false Small Business Energy Efficiency... ADMINISTRATION Small Business Energy Efficiency § 101.500 Small Business Energy Efficiency Program. (a) The.../energy, building on the Energy Star for Small Business Program, to assist small business concerns in...

  14. 13 CFR 101.500 - Small Business Energy Efficiency Program.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 13 Business Credit and Assistance 1 2014-01-01 2014-01-01 false Small Business Energy Efficiency... ADMINISTRATION Small Business Energy Efficiency § 101.500 Small Business Energy Efficiency Program. (a) The.../energy, building on the Energy Star for Small Business Program, to assist small business concerns in...

  15. 13 CFR 101.500 - Small Business Energy Efficiency Program.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 13 Business Credit and Assistance 1 2012-01-01 2012-01-01 false Small Business Energy Efficiency... ADMINISTRATION Small Business Energy Efficiency § 101.500 Small Business Energy Efficiency Program. (a) The.../energy, building on the Energy Star for Small Business Program, to assist small business concerns in...

  16. An Efficient Monte Carlo Method for Modeling Radiative Transfer in Protoplanetary Disks

    NASA Technical Reports Server (NTRS)

    Kim, Stacy

    2011-01-01

    Monte Carlo methods have been shown to be effective and versatile in modeling radiative transfer processes to calculate model temperature profiles for protoplanetary disks. Temperatures profiles are important for connecting physical structure to observation and for understanding the conditions for planet formation and migration. However, certain areas of the disk such as the optically thick disk interior are under-sampled, or are of particular interest such as the snow line (where water vapor condenses into ice) and the area surrounding a protoplanet. To improve the sampling, photon packets can be preferentially scattered and reemitted toward the preferred locations at the cost of weighting packet energies to conserve the average energy flux. Here I report on the weighting schemes developed, how they can be applied to various models, and how they affect simulation mechanics and results. We find that improvements in sampling do not always imply similar improvements in temperature accuracies and calculation speeds.

  17. ELF: An Extended-Lagrangian Free Energy Calculation Module for Multiple Molecular Dynamics Engines.

    PubMed

    Chen, Haochuan; Fu, Haohao; Shao, Xueguang; Chipot, Christophe; Cai, Wensheng

    2018-06-18

    Extended adaptive biasing force (eABF), a collective variable (CV)-based importance-sampling algorithm, has proven to be very robust and efficient compared with the original ABF algorithm. Its implementation in Colvars, a software addition to molecular dynamics (MD) engines, is, however, currently limited to NAMD and LAMMPS. To broaden the scope of eABF and its variants, like its generalized form (egABF), and make them available to other MD engines, e.g., GROMACS, AMBER, CP2K, and openMM, we present a PLUMED-based implementation, called extended-Lagrangian free energy calculation (ELF). This implementation can be used as a stand-alone gradient estimator for other CV-based sampling algorithms, such as temperature-accelerated MD (TAMD) and extended-Lagrangian metadynamics (MtD). ELF provides the end user with a convenient framework to help select the best-suited importance-sampling algorithm for a given application without any commitment to a particular MD engine.

  18. Nonlinear vs. linear biasing in Trp-cage folding simulations

    NASA Astrophysics Data System (ADS)

    Spiwok, Vojtěch; Oborský, Pavel; Pazúriková, Jana; Křenek, Aleš; Králová, Blanka

    2015-03-01

    Biased simulations have great potential for the study of slow processes, including protein folding. Atomic motions in molecules are nonlinear, which suggests that simulations with enhanced sampling of collective motions traced by nonlinear dimensionality reduction methods may perform better than linear ones. In this study, we compare an unbiased folding simulation of the Trp-cage miniprotein with metadynamics simulations using both linear (principle component analysis) and nonlinear (Isomap) low dimensional embeddings as collective variables. Folding of the mini-protein was successfully simulated in 200 ns simulation with linear biasing and non-linear motion biasing. The folded state was correctly predicted as the free energy minimum in both simulations. We found that the advantage of linear motion biasing is that it can sample a larger conformational space, whereas the advantage of nonlinear motion biasing lies in slightly better resolution of the resulting free energy surface. In terms of sampling efficiency, both methods are comparable.

  19. Nonlinear vs. linear biasing in Trp-cage folding simulations.

    PubMed

    Spiwok, Vojtěch; Oborský, Pavel; Pazúriková, Jana; Křenek, Aleš; Králová, Blanka

    2015-03-21

    Biased simulations have great potential for the study of slow processes, including protein folding. Atomic motions in molecules are nonlinear, which suggests that simulations with enhanced sampling of collective motions traced by nonlinear dimensionality reduction methods may perform better than linear ones. In this study, we compare an unbiased folding simulation of the Trp-cage miniprotein with metadynamics simulations using both linear (principle component analysis) and nonlinear (Isomap) low dimensional embeddings as collective variables. Folding of the mini-protein was successfully simulated in 200 ns simulation with linear biasing and non-linear motion biasing. The folded state was correctly predicted as the free energy minimum in both simulations. We found that the advantage of linear motion biasing is that it can sample a larger conformational space, whereas the advantage of nonlinear motion biasing lies in slightly better resolution of the resulting free energy surface. In terms of sampling efficiency, both methods are comparable.

  20. State Energy Efficiency Benefits and Opportunities

    EPA Pesticide Factsheets

    Describes the benefits of energy efficiency and how to assess its potential for your state. Also, find details on energy efficiency policies, programs, and resources available for furthering energy efficiency goals.

  1. Exploration, Sampling, And Reconstruction of Free Energy Surfaces with Gaussian Process Regression.

    PubMed

    Mones, Letif; Bernstein, Noam; Csányi, Gábor

    2016-10-11

    Practical free energy reconstruction algorithms involve three separate tasks: biasing, measuring some observable, and finally reconstructing the free energy surface from those measurements. In more than one dimension, adaptive schemes make it possible to explore only relatively low lying regions of the landscape by progressively building up the bias toward the negative of the free energy surface so that free energy barriers are eliminated. Most schemes use the final bias as their best estimate of the free energy surface. We show that large gains in computational efficiency, as measured by the reduction of time to solution, can be obtained by separating the bias used for dynamics from the final free energy reconstruction itself. We find that biasing with metadynamics, measuring a free energy gradient estimator, and reconstructing using Gaussian process regression can give an order of magnitude reduction in computational cost.

  2. Importance sampling large deviations in nonequilibrium steady states. I.

    PubMed

    Ray, Ushnish; Chan, Garnet Kin-Lic; Limmer, David T

    2018-03-28

    Large deviation functions contain information on the stability and response of systems driven into nonequilibrium steady states and in such a way are similar to free energies for systems at equilibrium. As with equilibrium free energies, evaluating large deviation functions numerically for all but the simplest systems is difficult because by construction they depend on exponentially rare events. In this first paper of a series, we evaluate different trajectory-based sampling methods capable of computing large deviation functions of time integrated observables within nonequilibrium steady states. We illustrate some convergence criteria and best practices using a number of different models, including a biased Brownian walker, a driven lattice gas, and a model of self-assembly. We show how two popular methods for sampling trajectory ensembles, transition path sampling and diffusion Monte Carlo, suffer from exponentially diverging correlations in trajectory space as a function of the bias parameter when estimating large deviation functions. Improving the efficiencies of these algorithms requires introducing guiding functions for the trajectories.

  3. A semi-empirical approach to analyze the activities of cylindrical radioactive samples using gamma energies from 185 to 1764 keV.

    PubMed

    Huy, Ngo Quang; Binh, Do Quang

    2014-12-01

    This work suggests a method for determining the activities of cylindrical radioactive samples. The self-attenuation factor was applied for providing the self-absorption correction of gamma rays in the sample material. The experimental measurement of a (238)U reference sample and the calculation using the MCNP5 code allow obtaining the semi-empirical formulae of detecting efficiencies for the gamma energies ranged from 185 to 1764keV. These formulae were used to determine the activities of the (238)U, (226)Ra, (232)Th, (137)Cs and (40)K nuclides in the IAEA RGU-1, IAEA-434, IAEA RGTh-1, IAEA-152 and IAEA RGK-1 radioactive standards. The coincidence summing corrections for gamma rays in the (238)U and (232)Th series were applied. The activities obtained in this work were in good agreement with the reference values. Copyright © 2014 Elsevier Ltd. All rights reserved.

  4. Importance sampling large deviations in nonequilibrium steady states. I

    NASA Astrophysics Data System (ADS)

    Ray, Ushnish; Chan, Garnet Kin-Lic; Limmer, David T.

    2018-03-01

    Large deviation functions contain information on the stability and response of systems driven into nonequilibrium steady states and in such a way are similar to free energies for systems at equilibrium. As with equilibrium free energies, evaluating large deviation functions numerically for all but the simplest systems is difficult because by construction they depend on exponentially rare events. In this first paper of a series, we evaluate different trajectory-based sampling methods capable of computing large deviation functions of time integrated observables within nonequilibrium steady states. We illustrate some convergence criteria and best practices using a number of different models, including a biased Brownian walker, a driven lattice gas, and a model of self-assembly. We show how two popular methods for sampling trajectory ensembles, transition path sampling and diffusion Monte Carlo, suffer from exponentially diverging correlations in trajectory space as a function of the bias parameter when estimating large deviation functions. Improving the efficiencies of these algorithms requires introducing guiding functions for the trajectories.

  5. An electrochemical and structural study of highly uniform tin oxide nanowires fabricated by a novel, scalable solvoplasma technique as anode material for sodium ion batteries

    NASA Astrophysics Data System (ADS)

    Mukherjee, Santanu; Schuppert, Nicholas; Bates, Alex; Jasinski, Jacek; Hong, Jong-Eun; Choi, Moon Jong; Park, Sam

    2017-04-01

    A novel solvoplasma based technique was used to fabricate highly uniform SnO2 nanowires (NWs) for application as an anode in sodium-ion batteries (SIBs). This technique is scalable, rapid, and utilizes a rigorous cleaning process to produce very pure SnO2 NWs with enhanced porosity; which improves sodium-ion hosting and reaction kinetics. The batch of NWs obtained from the plasma process were named the "as-made" sample and after cleaning the "pure" sample. Structural characterization showed that the as-made sample has a K+ ion impurity which is absent in the pure samples. The pure samples have a higher maximum specific capacity, 400.71 mAhg-1, and Coulombic efficiency, 85%, compared to the as-made samples which have a maximum specific capacity of 174.69 mAhg-1 and Coulombic efficiency of 74% upon cycling. A study of the electrochemical impedance spectra showed that the as-made samples have a higher interfacial and diffusion resistance than the pure samples and resistances increased after 50 cycles of cell operation for both samples due to progressive electrode degradation. Specific energy vs specific power plots were employed to analyze the performance of the system with respect to the working conditions.

  6. Assessing global resource utilization efficiency in the industrial sector.

    PubMed

    Rosen, Marc A

    2013-09-01

    Designing efficient energy systems, which also meet economic, environmental and other objectives and constraints, is a significant challenge. In a world with finite natural resources and large energy demands, it is important to understand not just actual efficiencies, but also limits to efficiency, as the latter identify margins for efficiency improvement. Energy analysis alone is inadequate, e.g., it yields energy efficiencies that do not provide limits to efficiency. To obtain meaningful and useful efficiencies for energy systems, and to clarify losses, exergy analysis is a beneficial and useful tool. Here, the global industrial sector and industries within it are assessed by using energy and exergy methods. The objective is to improve the understanding of the efficiency of global resource use in the industrial sector and, with this information, to facilitate the development, prioritization and ultimate implementation of rational improvement options. Global energy and exergy flow diagrams for the industrial sector are developed and overall efficiencies for the global industrial sector evaluated as 51% based on energy and 30% based on exergy. Consequently, exergy analysis indicates a less efficient picture of energy use in the global industrial sector than does energy analysis. A larger margin for improvement exists from an exergy perspective, compared to the overly optimistic margin indicated by energy. Copyright © 2012 Elsevier B.V. All rights reserved.

  7. Building Energy Asset Score for Utilities and Energy Efficiency Program Administrators

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

    Building Technologies Office

    2015-01-01

    The Building Energy Asset Score is a national standardized tool for evaluating the physical and structural energy efficiency of commercial and multifamily residential buildings. The Asset Score generates a simple energy efficiency rating that enables comparison among buildings, and identifies opportunities for users to invest in energy efficiency upgrades. It is web-based and free to use. This fact sheet discusses the value of the score for utilities and energy efficiency program administrators.

  8. What China can learn from international policy experiences to improve industrial energy efficiency and reduce CO 2 emissions?

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

    Liu, Xu; Shen, Bo; Price, Lynn

    China’s industrial sector dominates the country’s total energy consumption and energy efficiency in the industry sector is crucial to help China reach its energy and CO 2 emissions reduction goals. There are many energy efficiency policies in China, but the motivation and willingness of enterprises to improve energy efficiency has weakened. This report first identifies barriers that enterprises face to be self-motivated to implement energy efficiency measures. Then, this report reviews international policies and programs to improve energy efficiency and evaluates how these policies helped to address the identified barriers. Lastly, this report draws conclusions and provides recommendations to Chinamore » in developing policies and programs to motivate enterprises to improve energy efficiency.« less

  9. Multiscale investigation of chemical interference in proteins

    NASA Astrophysics Data System (ADS)

    Samiotakis, Antonios; Homouz, Dirar; Cheung, Margaret S.

    2010-05-01

    We developed a multiscale approach (MultiSCAAL) that integrates the potential of mean force obtained from all-atomistic molecular dynamics simulations with a knowledge-based energy function for coarse-grained molecular simulations in better exploring the energy landscape of a small protein under chemical interference such as chemical denaturation. An excessive amount of water molecules in all-atomistic molecular dynamics simulations often negatively impacts the sampling efficiency of some advanced sampling techniques such as the replica exchange method and it makes the investigation of chemical interferences on protein dynamics difficult. Thus, there is a need to develop an effective strategy that focuses on sampling structural changes in protein conformations rather than solvent molecule fluctuations. In this work, we address this issue by devising a multiscale simulation scheme (MultiSCAAL) that bridges the gap between all-atomistic molecular dynamics simulation and coarse-grained molecular simulation. The two key features of this scheme are the Boltzmann inversion and a protein atomistic reconstruction method we previously developed (SCAAL). Using MultiSCAAL, we were able to enhance the sampling efficiency of proteins solvated by explicit water molecules. Our method has been tested on the folding energy landscape of a small protein Trp-cage with explicit solvent under 8M urea using both the all-atomistic replica exchange molecular dynamics and MultiSCAAL. We compared computational analyses on ensemble conformations of Trp-cage with its available experimental NOE distances. The analysis demonstrated that conformations explored by MultiSCAAL better agree with the ones probed in the experiments because it can effectively capture the changes in side-chain orientations that can flip out of the hydrophobic pocket in the presence of urea and water molecules. In this regard, MultiSCAAL is a promising and effective sampling scheme for investigating chemical interference which presents a great challenge when modeling protein interactions in vivo.

  10. Lepton identification at particle flow oriented detector for the future e+e- Higgs factories

    NASA Astrophysics Data System (ADS)

    Yu, Dan; Ruan, Manqi; Boudry, Vincent; Videau, Henri

    2017-09-01

    The lepton identification is essential for the physics programs at high-energy frontier, especially for the precise measurement of the Higgs boson. For this purpose, a toolkit for multivariate data analysis (TMVA) based lepton identification (LICH) has been developed for detectors using high granularity calorimeters. Using the conceptual detector geometry for the Circular Electron-Positron Collider (CEPC) and single charged particle samples with energy larger than 2 GeV, LICH identifies electrons/muons with efficiencies higher than 99.5% and controls the mis-identification rate of hadron to muons/electrons to better than 1/0.5%. Reducing the calorimeter granularity by 1-2 orders of magnitude, the lepton identification performance is stable for particles with E > 2 GeV. Applied to fully simulated eeH/μ μ H events, the lepton identification performance is consistent with the single particle case: the efficiency of identifying all the high energy leptons in an event, is 95.5-98.5%.

  11. A unified REC market and composite RPO scheme for promotion of renewable energy in India

    NASA Astrophysics Data System (ADS)

    Shereef, R. M.; Khaparde, S. A.

    2017-07-01

    In India, uniform price was assigned to renewable energy certificate (REC) irrespective of renewable energy (RE) type, technology, and location. Moreover REC price bands are higher than existing preferential tariff. There are distinct renewable purchase obligations (RPOs) specified for various RE types, whereas there is lack of efficient tools to check RPO compliance. Because of these reasons, REC market stabilisation is getting delayed. This paper proposes a method using plant performance multiplier to convert non-solar and solar REC to single equivalent REC with competitive REC pricing, which can be traded on unified REC market. The method combines solar and non-solar RPOs into a single composite RPO, to make RPO compliance and its checking simple and efficient. A sample illustration of the proposed method is given. The benefits offered by the proposed method in REC pricing, REC trading and RPO compliance are discussed. A comparative economic analysis of present and proposed method is reported.

  12. Optimal Sampling of a Reaction Coordinate in Molecular Dynamics

    NASA Technical Reports Server (NTRS)

    Pohorille, Andrew

    2005-01-01

    Estimating how free energy changes with the state of a system is a central goal in applications of statistical mechanics to problems of chemical or biological interest. From these free energy changes it is possible, for example, to establish which states of the system are stable, what are their probabilities and how the equilibria between these states are influenced by external conditions. Free energies are also of great utility in determining kinetics of transitions between different states. A variety of methods have been developed to compute free energies of condensed phase systems. Here, I will focus on one class of methods - those that allow for calculating free energy changes along one or several generalized coordinates in the system, often called reaction coordinates or order parameters . Considering that in almost all cases of practical interest a significant computational effort is required to determine free energy changes along such coordinates it is hardly surprising that efficiencies of different methods are of great concern. In most cases, the main difficulty is associated with its shape along the reaction coordinate. If the free energy changes markedly along this coordinate Boltzmann sampling of its different values becomes highly non-uniform. This, in turn, may have considerable, detrimental effect on the performance of many methods for calculating free energies.

  13. 10 CFR 429.70 - Alternative methods for determining energy efficiency or energy use.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 10 Energy 3 2012-01-01 2012-01-01 false Alternative methods for determining energy efficiency or energy use. 429.70 Section 429.70 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION CERTIFICATION....70 Alternative methods for determining energy efficiency or energy use. (a) General. A manufacturer...

  14. 10 CFR 429.70 - Alternative methods for determining energy efficiency or energy use.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 10 Energy 3 2014-01-01 2014-01-01 false Alternative methods for determining energy efficiency or energy use. 429.70 Section 429.70 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION CERTIFICATION....70 Alternative methods for determining energy efficiency or energy use. Link to an amendment...

  15. 10 CFR 431.96 - Uniform test method for the measurement of energy efficiency of small, large, and very large...

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY PROGRAM FOR CERTAIN COMMERCIAL AND INDUSTRIAL... measurement of energy efficiency of small, large, and very large commercial package air conditioning and... section contains test procedures for measuring, pursuant to EPCA, the energy efficiency of any small...

  16. Sustainable Attitudes and Behaviours amongst a Sample of Non-Academic Staff: A Case Study from an Information Services Department, Griffith University, Brisbane

    ERIC Educational Resources Information Center

    Davis, G.; O'Callaghan, F.; Knox, K.

    2009-01-01

    Purpose: The purpose of this paper is seek to characterise sustainable attitudes and behaviours (including recycling and waste minimisation, energy efficiency, water conservation and "green" purchasing) amongst non-academic staff within Griffith University, Queensland. Design/methodology/approach: For this study, the attitudes and…

  17. Enhancement of CNT-based filters efficiency by ion beam irradiation

    NASA Astrophysics Data System (ADS)

    Elsehly, Emad M.; Chechenin, N. G.; Makunin, A. V.; Shemukhin, A. A.; Motaweh, H. A.

    2018-05-01

    It is shown in the report that disorder produced by ion beam irradiation can enhance the functionality of the carbon nanotubes. The filters of pressed multiwalled carbon nanotubes (MWNTs) were irradiated by He+ ions of the energy E = 80 keV with the fluence 2 × 1016 ion/cm2. The removal of manganese from aqueous solutions by using pristine and ion beam irradiated MWNTs filters was studied as a function of pH, initial concentration of manganese in aqueous solution, MWNT mass and contact time. The filters before and after filtration were characterized by Raman (RS) and energy dispersive X-ray spectroscopy (EDS) techniques to investigate the deposition content in the filter and defect formation in the MWNTs. The irradiated samples showed an enhancement of removal efficiency of manganese up to 97.5% for 10 ppm Mn concentration, suggesting that irradiated MWNT filter is a better Mn adsorbent from aqueous solutions than the pristine one. Radiation-induced chemical functionalization of MWNTs due to ion beam irradiation, suggesting that complexation between the irradiated MWNTs and manganese ions is another mechanism. This conclusion is supported by EDS and RS and is correlated with a larger disorder in the irradiated samples as follows from RS. The study demonstrates that ion beam irradiation is a promising tool to enhance the filtration efficiency of MWNT filters.

  18. 75 FR 17700 - Energy Efficient Building Systems Regional Innovation Cluster Initiative-Joint Federal Funding...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-04-07

    ... economically dynamic regional innovation cluster focused on energy efficient buildings technologies and systems... DEPARTMENT OF ENERGY Energy Efficient Building Systems Regional Innovation Cluster Initiative... February 8, 2010, titled the Energy Efficient Building Systems Regional Innovation Cluster Initiative. A...

  19. Empirical Study on Total Factor Productive Energy Efficiency in Beijing-Tianjin-Hebei Region-Analysis based on Malmquist Index and Window Model

    NASA Astrophysics Data System (ADS)

    Xu, Qiang; Ding, Shuai; An, Jingwen

    2017-12-01

    This paper studies the energy efficiency of Beijing-Tianjin-Hebei region and to finds out the trend of energy efficiency in order to improve the economic development quality of Beijing-Tianjin-Hebei region. Based on Malmquist index and window analysis model, this paper estimates the total factor energy efficiency in Beijing-Tianjin-Hebei region empirically by using panel data in this region from 1991 to 2014, and provides the corresponding political recommendations. The empirical result shows that, the total factor energy efficiency in Beijing-Tianjin-Hebei region increased from 1991 to 2014, mainly relies on advances in energy technology or innovation, and obvious regional differences in energy efficiency to exist. Throughout the window period of 24 years, the regional differences of energy efficiency in Beijing-Tianjin-Hebei region shrank. There has been significant convergent trend in energy efficiency after 2000, mainly depends on the diffusion and spillover of energy technologies.

  20. Plutonium and uranium determination in environmental samples: combined solvent extraction-liquid scintillation method.

    PubMed

    McDowell, W J; Farrar, D T; Billings, M R

    1974-12-01

    A method for the determination of uranium and plutonium by a combined high-resolution liquid scintillation-solvent extraction method is presented. Assuming a sample count equal to background count to be the detection limit, the lower detection limit for these and other alpha-emitting nuclides is 1.0 dpm with a Pyrex sample tube, 0.3 dpm with a quartz sample tube using present detector shielding or 0.02 d.p.m. with pulse-shape discrimination. Alpha-counting efficiency is 100%. With the counting data presented as an alpha-energy spectrum, an energy resolution of 0.2-0.3 MeV peak half-width and an energy identification to +/-0.1 MeV are possible. Thus, within these limits, identification and quantitative determination of a specific alpha-emitter, independent of chemical separation, are possible. The separation procedure allows greater than 98% recovery of uranium and plutonium from solution containing large amounts of iron and other interfering substances. In most cases uranium, even when present in 10(8)-fold molar ratio, may be quantitatively separated from plutonium without loss of the plutonium. Potential applications of this general analytical concept to other alpha-counting problems are noted. Special problems associated with the determination of plutonium in soil and water samples are discussed. Results of tests to determine the pulse-height and energy-resolution characteristics of several scintillators are presented. Construction of the high-resolution liquid scintillation detector is described.

  1. 78 FR 20896 - Renewable Energy and Energy Efficiency Advisory Committee

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-04-08

    ... DEPARTMENT OF COMMERCE International Trade Administration Renewable Energy and Energy Efficiency... of an Open Meeting. SUMMARY: The Renewable Energy and Energy Efficiency Advisory Committee (RE&EEAC...: Ryan Mulholland, Office of Energy and Environmental Industries (OEEI), International Trade...

  2. Thermally activated persistent photoconductivity & donor binding energy in high mobility AlAs QWs

    NASA Astrophysics Data System (ADS)

    Dasgupta, S.; Knaak, C.; Fontcuberta, A.; Bichler, M.; Abstreiter, G.; Grayson, M.

    2008-03-01

    In AlAs, valley index is important quantum number which can help understand interactions. However, important parameters for growth such as donor binding energy and Si δ-doping efficiency were unknown and AlAs quantum wells (QWs) typically did not conduct in dark. We grew series of (001) and (110) oriented double-sided doped n-type AlAs QWs and deduced Si donor binding energy δ in Al0.45Ga0.55 As and doping efficiency η. They work in dark possibly because dilute charge traps in substrate are screened by backside doping. From dark saturation density for doping series we deduced δdk=65.2 meV [1]. Our studies show thermally activated PPC where sample is illuminated at 4 K and returned to dark without appreciable density increase. As temperature is increased to 30 K, density doubles, indicating shallow binding energy δPIA=0 meV post-illumination anneal (PIA). Doping efficiency after illumination for (001) facet was found to be η=n2D/nSi=35% and for (110) η=17%. With this understanding, we designed (001) AlAs QW with PIA density n=2.4 x 10^11 cm-2 and mobility μ=4.3 x 10^5 cm^2/Vs(330 mK), improvement of almost an order of magnitude over published results. [1] Dasgupta, et al. APL (2007)

  3. Transportation energy efficiency trends in the 1990s

    DOT National Transportation Integrated Search

    2003-04-01

    In the 1990s : The transportation sector showed little increase : in energy efficiency as transportation activity and : energy use continued to grow. : Passenger travel energy-efficiency levels : improved slightly, mainly due to efficiency ga...

  4. 76 FR 44576 - Renewable Energy and Energy Efficiency Advisory Committee

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-07-26

    ... DEPARTMENT OF COMMERCE International Trade Administration Renewable Energy and Energy Efficiency... of an Open Meeting. SUMMARY: The Renewable Energy and Energy Efficiency Advisory Committee (RE&EEAC... administration of programs and policies to expand the competitiveness of the U.S. renewable energy and energy...

  5. 78 FR 55245 - Activities and Methodology for Assessing Compliance With Building Energy Codes

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-09-10

    ... DEPARTMENT OF ENERGY Office of Energy Efficiency and Renewable Energy [Docket No. EERE-2013-BT-BC... Energy Efficiency and Renewable Energy, Department of Energy. ACTION: Notice of reopening of public..., Office of Energy Efficiency and Renewable Energy, Building Technologies Program, Mailstop EE-2J, 1000...

  6. 75 FR 69653 - Energy Conservation Program for Consumer Products: Decision and Order Granting a Waiver to...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-11-15

    ... DEPARTMENT OF ENERGY Office of Energy Efficiency and Renewable Energy [Case No. CW-015] Energy... November 4, 2010. Cathy Zoi, Assistant Secretary, Energy Efficiency and Renewable Energy. Decision and...)(1)(iii). The Assistant Secretary for Energy Efficiency and Renewable Energy (the Assistant Secretary...

  7. 77 FR 50489 - Office of Energy Efficiency and Renewable Energy

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-08-21

    ... DEPARTMENT OF ENERGY Office of Energy Efficiency and Renewable Energy Wind and Water Power Program AGENCY: Office of Energy Efficiency and Renewable Energy, Department of Energy. ACTION: Notice of public meeting. SUMMARY: The Department of Energy (DOE) Wind and Water Power Program (WWPP) is planning a...

  8. 77 FR 6783 - Renewable Energy and Energy Efficiency Advisory Committee

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-02-09

    ... DEPARTMENT OF COMMERCE International Trade Administration Renewable Energy and Energy Efficiency... of an open meeting. SUMMARY: The Renewable Energy and Energy Efficiency Advisory Committee (RE&EEAC... competitiveness of U.S. renewable [[Page 6784

  9. 75 FR 7464 - Energy Efficient Building Systems Regional Innovation Cluster Initiative-Joint Federal Funding...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-02-19

    ... DEPARTMENT OF ENERGY Energy Efficient Building Systems Regional Innovation Cluster Initiative... Energy Efficient Building Systems Regional Innovation Cluster Initiative. A single proposal submitted by... systems design. The DOE funded Energy Efficient Building Systems Design Hub (the ``Hub'') will serve as a...

  10. Design of China Leading Energy Efficiency Program (LEP) for equipment and appliances and comparative study of international experience on super-efficient products

    NASA Astrophysics Data System (ADS)

    Liang, Xiuying; Zhu, Chunyan

    2017-11-01

    With rising global emphasizes on climate change and sustainable development, how to accelerate the transformation of energy efficiency has become an important question. Designing and implementing energy-efficiency policies for super-efficient products represents an important direction to achieve breakthroughs in the field of energy conservation. On December 31, 2014, China’s National Development and Reform Commission (NDRC) jointly six other ministerial agencies launched China Leading Energy Efficiency Program (LEP), which identifies top efficiency models for selected product categories. LEP sets the highest energy efficiency benchmark. Design of LEP took into consideration of how to best motivate manufacturers to accelerate technical innovation, promote high efficiency products. This paper explains core elements of LEP, such as objectives, selection criteria, implementation method and supportive policies. It also proposes recommendations to further improve LEP through international policy comparison with Japan’s Top Runner Program, U.S. Energy Star Most Efficient, and SEAD Global Efficiency Medal.

  11. Exploring a potential energy surface by machine learning for characterizing atomic transport

    NASA Astrophysics Data System (ADS)

    Kanamori, Kenta; Toyoura, Kazuaki; Honda, Junya; Hattori, Kazuki; Seko, Atsuto; Karasuyama, Masayuki; Shitara, Kazuki; Shiga, Motoki; Kuwabara, Akihide; Takeuchi, Ichiro

    2018-03-01

    We propose a machine-learning method for evaluating the potential barrier governing atomic transport based on the preferential selection of dominant points for atomic transport. The proposed method generates numerous random samples of the entire potential energy surface (PES) from a probabilistic Gaussian process model of the PES, which enables defining the likelihood of the dominant points. The robustness and efficiency of the method are demonstrated on a dozen model cases for proton diffusion in oxides, in comparison with a conventional nudge elastic band method.

  12. Energy use in the marine transportation industry. Task II. Efficiency improvements. Draft report

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

    Not Available

    1977-06-02

    Research and development areas that hold promise for maritime energy conservation are identified and evaluated. The methodology used in the evaluation of potential research areas and results, conclusions, and recommendations are presented. Fifteen programs are identified in four generic technologies and these are discussed in detail in appendices A-D. The areas are: main propulsion plants, propulsors, hydrodynamics, and vessel operations. Fuels are discussed briefly in appendix E. Additional information is presented on the generic US flag baseline operational and cost parameters; a sample output model is presented. (MCW)

  13. 76 FR 11233 - Energy Conservation Program for Consumer Products: Decision and Order Granting a Waiver to LG...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-03-01

    ... DEPARTMENT OF ENERGY Office of Energy Efficiency and Renewable Energy [Case No. CW-016] Energy... Energy Residential Clothes Washer Test Procedure AGENCY: Office of Energy Efficiency and Renewable Energy... 23, 2011. Cathy Zoi, Assistant Secretary, Energy Efficiency and Renewable Energy. Decision and Order...

  14. 78 FR 69370 - Renewable Energy and Energy Efficiency Advisory Committee

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-11-19

    ... DEPARTMENT OF COMMERCE International Trade Administration Renewable Energy and Energy Efficiency... of an open meeting. SUMMARY: The Renewable Energy and Energy Efficiency Advisory Committee (RE&EEAC... INFORMATION CONTACT: Ryan Mulholland, Office of Energy and Environmental Industries (OEEI), International...

  15. 75 FR 70214 - Renewable Energy and Energy Efficiency Advisory Committee

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-11-17

    ... DEPARTMENT OF COMMERCE International Trade Administration Renewable Energy and Energy Efficiency... of an open meeting. SUMMARY: The Renewable Energy and Energy Efficiency Advisory Committee (RE&EEAC... INFORMATION CONTACT: Brian O'Hanlon, Office of Energy and Environmental Technologies Industries (OEEI...

  16. Measurement of the secondary electron emission from CVD diamond films using phosphor screen detectors

    NASA Astrophysics Data System (ADS)

    Vaz, R.; May, P. W.; Fox, N. A.; Harwood, C. J.; Chatterjee, V.; Smith, J. A.; Horsfield, C. J.; Lapington, J. S.; Osbourne, S.

    2015-03-01

    Diamond-based photomultipliers have the potential to provide a significant improvement over existing devices due to diamond's high secondary electron yield and narrow energy distribution of secondary electrons which improves energy resolution creating extremely fast response times. In this paper we describe an experimental apparatus designed to study secondary electron emission from diamond membranes only 400 nm thick, observed in reflection and transmission configurations. The setup consists of a system of calibrated P22 green phosphor screens acting as radiation converters which are used in combination with photomultiplier tubes to acquire secondary emission yield data from the diamond samples. The superior signal voltage sampling of the phosphor screen setup compared with traditional Faraday Cup detection allows the variation in the secondary electron yield across the sample to be visualised, allowing spatial distributions to be obtained. Preliminary reflection and transmission yield data are presented as a function of primary electron energy for selected CVD diamond films and membranes. Reflection data were also obtained from the same sample set using a Faraday Cup detector setup. In general, the curves for secondary electron yield versus primary energy for both measurement setups were comparable. On average a 15-20% lower signal was recorded on our setup compared to the Faraday Cup, which was attributed to the lower photoluminescent efficiency of the P22 phosphor screens when operated at sub-kilovolt bias voltages.

  17. Removal efficiency of nickel and lead from industrial wastewater using microbial desalination cell

    NASA Astrophysics Data System (ADS)

    Mirzaienia, Fariba; Asadipour, Ali; Jafari, Ahmad Jonidi; Malakootian, Mohammad

    2017-11-01

    Microbial desalination cell (MDC) is a new method of desalination. Its energy is supplied through microbial metabolism of organic materials. In this study, synthetic samples were provided with concentration of 25, 50, 75, 100 mg/L Ni and Pb. Removal efficiency of each metal was analyzed after 60, 90, 120 min, psychrophilic, mesophilic, thermophilic and 3-4, 4-5, 5-6 mg/L dissolved oxygen. Optimum conditions for removing Ni and Pb were achieved in 100, 4.5 and 4.6 mg/L dissolved oxygen, respectively, 26 °C and 120 min. Nickel and led were removed from wastewaters of Isfahan electroplating industry and steel company. The maximum removal efficiencies of Ni and Pb in real samples were 68.81 and 70.04%. MDC can be considered as a good choice for removing Ni and Pb from industrial wastewater. Due to microorganisms for decomposing organic material in municipal wastewater, metals from industrial wastewater can be removed simultaneously.

  18. A fiber-compatible spectrally encoded imaging system using a 45° tilted fiber grating

    NASA Astrophysics Data System (ADS)

    Wang, Guoqing; Wang, Chao; Yan, Zhijun; Zhang, Lin

    2016-04-01

    We propose and demonstrate, for the first time to our best knowledge, the use of a 45° tilted fiber grating (TFG) as an infiber lateral diffraction element in an efficient and fiber-compatible spectrally encoded imaging (SEI) system. Under proper polarization control, the TFG has significantly enhanced diffraction efficiency (93.5%) due to strong tilted reflection. Our conceptually new fiber-topics-based design eliminates the need for bulky and lossy free-space diffraction gratings, significantly reduces the volume and cost of the imaging system, improves energy efficiency, and increases system stability. As a proof-of-principle experiment, we use the proposed system to perform an one dimensional (1D) line scan imaging of a customer-designed three-slot sample and the results show that the constructed image matches well with the actual sample. The angular dispersion of the 45° TFG is measured to be 0.054°/nm and the lateral resolution of the SEI system is measured to be 28 μm in our experiment.

  19. Data Envelopment Analysis for steel production with the use of Total Material Requirement

    NASA Astrophysics Data System (ADS)

    Oyaizu, Akira; Cravioto, Jordi; Yamasue, Eiji; Daigo, Ichiro

    2018-06-01

    High properties of stainless steels can be achieved by adding alloying elements and/or by structure control through complex heat treatments. Evaluations of such processes have so far been made in terms of the carbon dioxide emissions emitted or the energy consumption, but less attention has been given to resource intensity and "hidden flows". Using Data Envelopment Analysis (DEA), this study evaluates the efficiency of the environmental impact, characterised through Total Material Requirement (TMR), a measurement of hidden flows, and three properties (two mechanical and one chemical) of the materials obtained after manufacturing. Out of sample of 72 stainless steels it was found that seven (SUS312L, SUS836L, SUS447J1, SUSXM27, SUS410, SUS420F2, and SUS329J4L) showed the highest comparative efficiency, and that, when classifying the sample into four groups, the production of martensitic steels showed the highest efficiency (88%), followed by ferritic and duplex (82.6% each) and lastly austenitic (43.3%).

  20. 10 CFR 431.324 - Uniform test method for the measurement of energy efficiency of metal halide ballasts.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... efficiency of metal halide ballasts. 431.324 Section 431.324 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY PROGRAM FOR CERTAIN COMMERCIAL AND INDUSTRIAL EQUIPMENT Metal Halide Lamp Ballasts and Fixtures Test Procedures § 431.324 Uniform test method for the measurement of energy efficiency of metal...

  1. Driven Metadynamics: Reconstructing Equilibrium Free Energies from Driven Adaptive-Bias Simulations

    PubMed Central

    2013-01-01

    We present a novel free-energy calculation method that constructively integrates two distinct classes of nonequilibrium sampling techniques, namely, driven (e.g., steered molecular dynamics) and adaptive-bias (e.g., metadynamics) methods. By employing nonequilibrium work relations, we design a biasing protocol with an explicitly time- and history-dependent bias that uses on-the-fly work measurements to gradually flatten the free-energy surface. The asymptotic convergence of the method is discussed, and several relations are derived for free-energy reconstruction and error estimation. Isomerization reaction of an atomistic polyproline peptide model is used to numerically illustrate the superior efficiency and faster convergence of the method compared with its adaptive-bias and driven components in isolation. PMID:23795244

  2. Contracting for Efficiency. A Best Practices Guide for Energy-Efficient Product Procurement

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

    Bunch, Saralyn; Payne, Christopher

    2016-04-01

    The requirement to buy energy- and water-efficient products applies to federal purchases made through any procurement pathway (e.g., purchase cards, e-retailers, and solicitations) and to a wide variety of federal projects. The Federal Energy Management Program’s (FEMP's) Buy Energy-Efficient Products buyer overview fact sheet and Contracting for Efficiency best practices guide for product procurement are designed to support federal buyers in the purchase of energy- and water-efficient products.

  3. Contracting for Efficiency: A Best Practices Guide for Energy Efficient Product Procurement

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

    Bunch, Saralyn; Payne, Christopher

    The requirement to buy energy- and water-efficient products applies to federal purchases made through any procurement pathway (e.g., purchase cards, e-retailers, and solicitations) and to a wide variety of federal projects. The Federal Energy Management Program’s (FEMP's) Buy Energy-Efficient Products buyer overview fact sheet and Contracting for Efficiency best practices guide for product procurement are designed to support federal buyers in the purchase of energy- and water-efficient products.

  4. 77 FR 64112 - Office of Energy Efficiency and Renewable Energy

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-10-18

    ... DEPARTMENT OF ENERGY Office of Energy Efficiency and Renewable Energy Nationwide Categorical Waivers of the American Recovery and Reinvestment Act AGENCY: Office of Energy Efficiency and Renewable Energy, U.S. Department of Energy (DOE). ACTION: Notice of Amended Limited Waivers. SUMMARY: The U.S...

  5. 48 CFR 23.000 - Scope.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... ENVIRONMENT, ENERGY AND WATER EFFICIENCY, RENEWABLE ENERGY TECHNOLOGIES, OCCUPATIONAL SAFETY, AND DRUG-FREE... reducing energy and water use in Government facilities; (c) Using renewable energy and renewable energy technologies; (d) Acquiring energy-efficient and water-efficient products and services, environmentally...

  6. 48 CFR 23.000 - Scope.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... ENVIRONMENT, ENERGY AND WATER EFFICIENCY, RENEWABLE ENERGY TECHNOLOGIES, OCCUPATIONAL SAFETY, AND DRUG-FREE... reducing energy and water use in Government facilities; (c) Using renewable energy and renewable energy technologies; (d) Acquiring energy-efficient and water-efficient products and services, environmentally...

  7. 48 CFR 23.000 - Scope.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... ENVIRONMENT, ENERGY AND WATER EFFICIENCY, RENEWABLE ENERGY TECHNOLOGIES, OCCUPATIONAL SAFETY, AND DRUG-FREE... reducing energy and water use in Government facilities; (c) Using renewable energy and renewable energy technologies; (d) Acquiring energy-efficient and water-efficient products and services, environmentally...

  8. 48 CFR 23.000 - Scope.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... ENVIRONMENT, ENERGY AND WATER EFFICIENCY, RENEWABLE ENERGY TECHNOLOGIES, OCCUPATIONAL SAFETY, AND DRUG-FREE... reducing energy and water use in Government facilities; (c) Using renewable energy and renewable energy technologies; (d) Acquiring energy-efficient and water-efficient products and services, environmentally...

  9. Interactions between Energy Efficiency Programs funded under the Recovery Act and Utility Customer-Funded Energy Efficiency Programs

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

    Goldman, Charles A.; Stuart, Elizabeth; Hoffman, Ian

    2011-02-25

    Since the spring of 2009, billions of federal dollars have been allocated to state and local governments as grants for energy efficiency and renewable energy projects and programs. The scale of this American Reinvestment and Recovery Act (ARRA) funding, focused on 'shovel-ready' projects to create and retain jobs, is unprecedented. Thousands of newly funded players - cities, counties, states, and tribes - and thousands of programs and projects are entering the existing landscape of energy efficiency programs for the first time or expanding their reach. The nation's experience base with energy efficiency is growing enormously, fed by federal dollars andmore » driven by broader objectives than saving energy alone. State and local officials made countless choices in developing portfolios of ARRA-funded energy efficiency programs and deciding how their programs would relate to existing efficiency programs funded by utility customers. Those choices are worth examining as bellwethers of a future world where there may be multiple program administrators and funding sources in many states. What are the opportunities and challenges of this new environment? What short- and long-term impacts will this large, infusion of funds have on utility customer-funded programs; for example, on infrastructure for delivering energy efficiency services or on customer willingness to invest in energy efficiency? To what extent has the attribution of energy savings been a critical issue, especially where administrators of utility customer-funded energy efficiency programs have performance or shareholder incentives? Do the new ARRA-funded energy efficiency programs provide insights on roles or activities that are particularly well-suited to state and local program administrators vs. administrators or implementers of utility customer-funded programs? The answers could have important implications for the future of U.S. energy efficiency. This report focuses on a selected set of ARRA-funded energy efficiency programs administered by state energy offices: the State Energy Program (SEP) formula grants, the portion of Energy Efficiency and Conservation Block Grant (EECBG) formula funds administered directly by states, and the State Energy Efficient Appliance Rebate Program (SEEARP). Since these ARRA programs devote significant monies to energy efficiency and serve similar markets as utility customer-funded programs, there are frequent interactions between programs. We exclude the DOE low-income weatherization program and EECBG funding awarded directly to the over 2,200 cities, counties and tribes from our study to keep its scope manageable. We summarize the energy efficiency program design and funding choices made by the 50 state energy offices, 5 territories and the District of Columbia. We then focus on the specific choices made in 12 case study states. These states were selected based on the level of utility customer program funding, diversity of program administrator models, and geographic diversity. Based on interviews with more than 80 energy efficiency actors in those 12 states, we draw observations about states strategies for use of Recovery Act funds. We examine interactions between ARRA programs and utility customer-funded energy efficiency programs in terms of program planning, program design and implementation, policy issues, and potential long-term impacts. We consider how the existing regulatory policy framework and energy efficiency programs in these 12 states may have impacted development of these selected ARRA programs. Finally, we summarize key trends and highlight issues that evaluators of these ARRA programs may want to examine in more depth in their process and impact evaluations.« less

  10. 76 FR 35199 - Proposed Agency Information Collection

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-06-16

    ... DEPARTMENT OF ENERGY Office of Energy Efficiency and Renewable Energy Proposed Agency Information Collection AGENCY: Office of Energy Efficiency and Renewable Energy, Department of Energy. ACTION: Notice and.... Issued in Washington, DC, on June 9, 2011. Henry Kelly, Acting Assistant Secretary, Energy Efficiency and...

  11. Estimates of Refrigerator Loads in Public Housing Based on Metered Consumption Data

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

    Miller, JD; Pratt, RG

    1998-09-11

    The New York Power Authority (NYPA), the New York City Housing Authority (NYCHA), and the U.S. Departments of Housing and Urban Development (HUD) and Energy (DOE) have joined in a project to replace refrigerators in New York City public housing with new, highly energy-efficient models. This project laid the ground work for the Consortium for Energy Efficiency (CEE) and DOE to enable housing authorities throughout the United States to bulk-purchase energy-efficient appliances. DOE helped develop and plan the program through the ENERGY STAR@ Partnerships program conducted by its Pacific Nofiwest National Laboratory (PNNL). PNNL was subsequently asked to conduct themore » savings evahations for 1996 and 1997. PNNL designed the metering protocol and occupant survey, supplied and calibrated the metering equipment, and managed and analyzed the data. The 1996 metering study of refrigerator energy usage in New York City public housing (Pratt and Miller 1997) established the need and justification for a regression-model-based approach to an energy savings estimate. The need originated in logistical difficulties associated with sampling the population and pen?orming a stratified analysis. Commonly, refrigerators[a) with high representation in the population were missed in the sampling schedule, leaving significant holes in the sample and difficulties for the stratified anrdysis. The just{jfcation was found in the fact that strata (distinct groups of identical refrigerators) were not statistically distinct in terms of their label ratio (ratio of metered consumption to label rating). This finding suggested a general regression model could be used to represent the consumption of all refrigerators in the population. In 1996 a simple two-coefficient regression model, a function of only the refrigerator label rating, was developed and used to represent the existing population of refrigerators. A key concept used in the 1997 study grew from findings in a small number of apartments metered in 1996 with a detailed protocol. Fifteen-minute time-series data of ambient and compartment temperatures and refrigerator power were analyzed and demonstrated the potential for reducing power records into three components. This motivated the development of an analysis process to divide the metered consumption into baseline load, occupant-associated load, and defrosting load. The baseline load is the consumption that would occur if the refrigerator were on but had no occupant usage load (no door-opening events) and the defrosting mechanism was disabled. The motivation behind this component reduction process was the hope that components could be more effectively modeled than the total. We reasoned that the components would lead to abetter (more general and more significant) understanding of the relationships between consumption, the characteristics of the refrigerator, and its operating environment.« less

  12. Tunable blue-green emission and energy transfer properties in β-Ca3(PO4)2:Eu(2+), Tb(3+) phosphors with high quantum efficiencies for UV-LEDs.

    PubMed

    Li, Kai; Zhang, Yang; Li, Xuejiao; Shang, Mengmeng; Lian, Hongzhou; Lin, Jun

    2015-03-14

    A series of Eu(2+) and Tb(3+) singly-doped and co-doped β-Ca3(PO4)2 phosphors have been synthesized via the high-temperature solid-state reaction method. Thermogravimetric (TG) analysis, fourier transform infrared (FT-IR) spectra, X-ray diffraction (XRD) patterns and Rietveld refinements, photoluminescence (PL) spectra including temperature-dependent PL and quantum efficiency, and fluorescence decay lifetimes have been used to characterise the as-prepared samples. Under UV excitation, β-Ca3(PO4)2:Eu(2+) presents a broad emission band centered at 415 nm, which can be decomposed into five symmetrical bands peaking at 390, 408, 421, 435 and 511 nm based on the substitution of five kinds of Ca(2+) sites by Eu(2+) ions. β-Ca3(PO4)2:Tb(3+) shows characteristic emission lines under Tb(3+) 4f-5d transition excitation around 223 nm. In β-Ca3(PO4)2:Eu(2+), Tb(3+) phosphors, similar excitation spectra monitored at 415 and 547 nm have been observed, which illustrates the possibility of energy transfer from Eu(2+) to Tb(3+) ions. The variations in the emission spectra and decay lifetimes further demonstrate the existence of energy transfer from Eu(2+) to Tb(3+) ions under UV excitation. The energy transfer mechanism has been confirmed to be dipole-quadrupole, which can be validated via the agreement of critical distances obtained from the concentration quenching (12.11 Å) and spectrum overlap methods (9.9-13.2 Å). The best quantum efficiency can reach 90% for the β-Ca3(PO4)2:0.01Eu(2+), 0.15Tb(3+) sample under 280 nm excitation. These results show that the developed phosphors may possess potential applications in UV-pumped white light-emitting diodes.

  13. Spot-Scanning Proton Arc (SPArc) Therapy: The First Robust and Delivery-Efficient Spot-Scanning Proton Arc Therapy

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

    Ding, Xuanfeng, E-mail: Xuanfeng.ding@beaumont.org; Li, Xiaoqiang; Zhang, J. Michele

    Purpose: To present a novel robust and delivery-efficient spot-scanning proton arc (SPArc) therapy technique. Methods and Materials: A SPArc optimization algorithm was developed that integrates control point resampling, energy layer redistribution, energy layer filtration, and energy layer resampling. The feasibility of such a technique was evaluated using sample patients: 1 patient with locally advanced head and neck oropharyngeal cancer with bilateral lymph node coverage, and 1 with a nonmobile lung cancer. Plan quality, robustness, and total estimated delivery time were compared with the robust optimized multifield step-and-shoot arc plan without SPArc optimization (Arc{sub multi-field}) and the standard robust optimized intensity modulatedmore » proton therapy (IMPT) plan. Dose-volume histograms of target and organs at risk were analyzed, taking into account the setup and range uncertainties. Total delivery time was calculated on the basis of a 360° gantry room with 1 revolutions per minute gantry rotation speed, 2-millisecond spot switching time, 1-nA beam current, 0.01 minimum spot monitor unit, and energy layer switching time of 0.5 to 4 seconds. Results: The SPArc plan showed potential dosimetric advantages for both clinical sample cases. Compared with IMPT, SPArc delivered 8% and 14% less integral dose for oropharyngeal and lung cancer cases, respectively. Furthermore, evaluating the lung cancer plan compared with IMPT, it was evident that the maximum skin dose, the mean lung dose, and the maximum dose to ribs were reduced by 60%, 15%, and 35%, respectively, whereas the conformity index was improved from 7.6 (IMPT) to 4.0 (SPArc). The total treatment delivery time for lung and oropharyngeal cancer patients was reduced by 55% to 60% and 56% to 67%, respectively, when compared with Arc{sub multi-field} plans. Conclusion: The SPArc plan is the first robust and delivery-efficient proton spot-scanning arc therapy technique, which could potentially be implemented into routine clinical practice.« less

  14. Tuning the Electrical and Thermal Conductivities of Thermoelectric Oxides through Impurity Doping

    NASA Astrophysics Data System (ADS)

    Torres Arango, Maria A.

    Waste heat and thermal gradients available at power plants can be harvested to power wireless networks and sensors by using thermoelectric (TE) generators that directly transform temperature differentials into electrical power. Oxide materials are promising for TE applications in harsh industrial environments for waste heat recovery at high temperatures in air, because they are lightweight, cheaply produced, highly efficient, and stable at high temperatures in air. Ca3Co4O9(CCO) with layered structure is a promising p-type thermoelectric oxide with extrapolated ZT value of 0.87 in single crystal form [1]. However the ZT values for the polycrystalline ceramics remain low of ˜0.1-0.3. In this research, nanostructure engineering approaches including doping and addition of nanoinclusions were applied to the polycrystalline CCO ceramic to improve the energy conversion efficiency. Polycrystalline CCO samples with various Bi doping levels were prepared through the sol-gel chemical route synthesis of powders, pressing and sintering of the pellets. Microstructure features of Bi doped ceramic bulk samples such as porosity, development of crystal texture, grain boundary dislocations and segregation of Bi dopants at various grain boundaries are investigated from microns to atomic scale. The results of the present study show that the Bi-doping is affecting both the electrical conductivity and thermal conductivity simultaneously, and the optimum Bi doping level is strongly correlated with the microstructure and the processing conditions of the ceramic samples. At the optimum doping level and processing conditions of the ceramic samples, the Bi substitution of Ca results in the increase of the electrical conductivity, decrease of the thermal conductivity, and improvement of the crystal texture. The atomic resolution Scanning Transmission Electron Microscopy (STEM) Z-contrast imaging and the chemistry analysis also reveal the Bi-segregation at grain boundaries of CCO polycrystalline samples. In order to further decrease the thermal conductivity and increase the overall energy conversion efficiency of ceramic samples. The highest ZT value obtained is 0.32 at 973K for Ca and Co site Bi doping. The effect of the nanoinclusions on the performance and the microstructure of CCO were investigated as well.

  15. Energy transfer dynamics of Er3+/Nd3+ embedded SiO2-Al2O3-Na2CO3-SrF2-CaF2 glasses for optical communications

    NASA Astrophysics Data System (ADS)

    Gelija, Devarajulu; Kadathala, Linganna; Borelli, Deva Prasad Raju

    2018-04-01

    The fluorescence and upconversion studies of Er3+ doped and Er3+/Nd3+ co-doped silicate based oxyfluoride glasses have been systematically analyzed. The broad band NIR emissions (830-1700 nm), includes optical bands like O, E, S, C and L were observed in the Er3+-Nd3+ co-doped glasses. The NIR emission intensity peaks centered at 876, 1057, 1329 and 1534 nm were observed for the Er3+-Nd3+ co-doped glasses. In the co-doped samples the strongest emission intensity at 1534 nm increased up to 0.5 mol % and then decreased to 3.0 mol % of Nd3+ ions under the excitation of 980 nm. The upconversion studies of the co-doped samples were recorded under the excitation of 980 and 808 nm and found the upconversion emission peaks centered at 524, 530, 547, 590 and 656 nm. The energy transfer processes between the relevant excitation levels of Er3+ and Nd3+ ions and energy transfer efficiency were discussed. The obtained results indicate that Nd3+ can be an efficient sensitizer for Er3+ to enhance upconversion emission at green laser transition for sensors and NIR emission at 1534 nm for optical communication applications.

  16. The Preparation and Optical Properties of Novel LiLa(MoO4)2:Sm3+,Eu3+ Red Phosphor

    PubMed Central

    Luo, Li; Huang, Baoyu; He, Jingqi; Zhang, Wei; Zhao, Weiren; Wang, Jianqing

    2018-01-01

    Novel LiLa1−x−y(MoO4)2:xSm3+,yEu3+ (in short: LL1−x−yM:xSm3+,yEu3+) double molybdate red phosphors were synthesized by a solid-state reaction at as low temperature as 610 °C. The optimal doping concentration of Sm3+ in LiLa1−x(MoO4)2:xSm3+ (LL1−xM:xSm3+) phosphor is x = 0.05 and higher concentrations lead to emission quenching by the electric dipole—electric dipole mechanism. In the samples co-doped with Eu3+ ions, the absorption spectrum in the near ultraviolet and blue regions became broader and stronger than these of the Sm3+ single-doped samples. The efficient energy transfer from Sm3+ to Eu3+ was found and the energy transfer efficiency was calculated. Under the excitation at 403 nm, the chromaticity coordinates of LL0.95−yM:0.05Sm3+,yEu3+ approach to the NTSC standard values (0.670, 0.330) continuously with increasing Eu3+ doping concentration. The phosphor exhibits high luminous efficiency under near UV or blue light excitation and remarkable thermal stability. At 150 °C, the integrated emission intensity of the Eu3+ remained 85% of the initial intensity at room temperature and the activation energy is calculated to be 0.254 eV. The addition of the LL0.83M:0.05Sm3+,0.12Eu3+ red phosphors can improve the color purity and reduce the correlated color temperature of WLED lamps. Hence, LL1−x−yM:xSm3+,yEu3+ is a promising WLED red phosphor. PMID:29443910

  17. The Preparation and Optical Properties of Novel LiLa(MoO4)2:Sm3+,Eu3+ Red Phosphor.

    PubMed

    Wang, Jiaxi; Luo, Li; Huang, Baoyu; He, Jingqi; Zhang, Wei; Zhao, Weiren; Wang, Jianqing

    2018-02-14

    Novel LiLa1-x-y(MoO4)2:xSm3+,yEu3+ (in short: LL1-x-yM:xSm3+,yEu3+) double molybdate red phosphors were synthesized by a solid-state reaction at as low temperature as 610 °C. The optimal doping concentration of Sm3+ in LiLa1-x(MoO4)2:xSm3+ (LL1-xM:xSm3+) phosphor is x = 0.05 and higher concentrations lead to emission quenching by the electric dipole-electric dipole mechanism. In the samples co-doped with Eu3+ ions, the absorption spectrum in the near ultraviolet and blue regions became broader and stronger than these of the Sm3+ single-doped samples. The efficient energy transfer from Sm3+ to Eu3+ was found and the energy transfer efficiency was calculated. Under the excitation at 403 nm, the chromaticity coordinates of LL0.95-yM:0.05Sm3+,yEu3+ approach to the NTSC standard values (0.670, 0.330) continuously with increasing Eu3+ doping concentration. The phosphor exhibits high luminous efficiency under near UV or blue light excitation and remarkable thermal stability. At 150 °C, the integrated emission intensity of the Eu3+ remained 85% of the initial intensity at room temperature and the activation energy is calculated to be 0.254 eV. The addition of the LL0.83M:0.05Sm3+,0.12Eu3+ red phosphors can improve the color purity and reduce the correlated color temperature of WLED lamps. Hence, LL1-x-yM:xSm3+,yEu3+ is a promising WLED red phosphor.

  18. 78 FR 33838 - DOE Participation in Development of the International Energy Conservation Code

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-06-05

    ... DEPARTMENT OF ENERGY Office of Energy Efficiency and Renewable Energy [Docket No. EERE-2012-BT-BC... Energy Efficiency and Renewable Energy, Department of Energy. ACTION: Notice and request for comment... Efficiency and Renewable Energy, Building Technologies Office, Mailstop EE-2J, 1000 Independence Avenue SW...

  19. 75 FR 29993 - Department of Commerce: Trade Promotion Coordinating Committee Renewable Energy and Energy...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-05-28

    ... Coordinating Committee Renewable Energy and Energy Efficiency Export Strategy To Support the National Export... Trade Promotion Coordinating Committee's (TPCC) Renewable Energy and Energy Efficiency Working Group is developing a U.S. Renewable Energy and Energy Efficiency Export Strategy (the Strategy) to guide U.S...

  20. 10 CFR 433.4 - Energy efficiency performance standard.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 3 2010-01-01 2010-01-01 false Energy efficiency performance standard. 433.4 Section 433.4 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY STANDARDS FOR THE DESIGN AND CONSTRUCTION OF NEW FEDERAL COMMERCIAL AND MULTI-FAMILY HIGH-RISE RESIDENTIAL BUILDINGS § 433.4 Energy...

  1. 10 CFR 433.4 - Energy efficiency performance standard.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 3 2011-01-01 2011-01-01 false Energy efficiency performance standard. 433.4 Section 433.4 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY STANDARDS FOR THE DESIGN AND CONSTRUCTION OF NEW FEDERAL COMMERCIAL AND MULTI-FAMILY HIGH-RISE RESIDENTIAL BUILDINGS § 433.4 Energy...

  2. 10 CFR 905.17 - What are the requirements for the energy efficiency and/or renewable energy report (EE/RE report...

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... renewable energy report (EE/RE report) alternative? 905.17 Section 905.17 Energy DEPARTMENT OF ENERGY ENERGY... energy efficiency and/or renewable energy report (EE/RE report) alternative? (a) Requests to submit an EE..., including any requirements for documenting customer energy efficiency and renewable energy activities. (b...

  3. 10 CFR 905.17 - What are the requirements for the energy efficiency and/or renewable energy report (EE/RE report...

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... renewable energy report (EE/RE report) alternative? 905.17 Section 905.17 Energy DEPARTMENT OF ENERGY ENERGY... energy efficiency and/or renewable energy report (EE/RE report) alternative? (a) Requests to submit an EE..., including any requirements for documenting customer energy efficiency and renewable energy activities. (b...

  4. 10 CFR 905.17 - What are the requirements for the energy efficiency and/or renewable energy report (EE/RE report...

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... renewable energy report (EE/RE report) alternative? 905.17 Section 905.17 Energy DEPARTMENT OF ENERGY ENERGY... energy efficiency and/or renewable energy report (EE/RE report) alternative? (a) Requests to submit an EE..., including any requirements for documenting customer energy efficiency and renewable energy activities. (b...

  5. 10 CFR 905.17 - What are the requirements for the energy efficiency and/or renewable energy report (EE/RE report...

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... renewable energy report (EE/RE report) alternative? 905.17 Section 905.17 Energy DEPARTMENT OF ENERGY ENERGY... energy efficiency and/or renewable energy report (EE/RE report) alternative? (a) Requests to submit an EE..., including any requirements for documenting customer energy efficiency and renewable energy activities. (b...

  6. The evaluation model of the enterprise energy efficiency based on DPSR.

    PubMed

    Wei, Jin-Yu; Zhao, Xiao-Yu; Sun, Xue-Shan

    2017-05-08

    The reasonable evaluation of the enterprise energy efficiency is an important work in order to reduce the energy consumption. In this paper, an effective energy efficiency evaluation index system is proposed based on DPSR (Driving forces-Pressure-State-Response) with the consideration of the actual situation of enterprises. This index system which covers multi-dimensional indexes of the enterprise energy efficiency can reveal the complete causal chain which includes the "driver forces" and "pressure" of the enterprise energy efficiency "state" caused by the internal and external environment, and the ultimate enterprise energy-saving "response" measures. Furthermore, the ANP (Analytic Network Process) and cloud model are used to calculate the weight of each index and evaluate the energy efficiency level. The analysis of BL Company verifies the feasibility of this index system and also provides an effective way to improve the energy efficiency at last.

  7. Characterizing Synergistic Water and Energy Efficiency at the Residential Scale Using a Cost Abatement Curve Approach

    NASA Astrophysics Data System (ADS)

    Stillwell, A. S.; Chini, C. M.; Schreiber, K. L.; Barker, Z. A.

    2015-12-01

    Energy and water are two increasingly correlated resources. Electricity generation at thermoelectric power plants requires cooling such that large water withdrawal and consumption rates are associated with electricity consumption. Drinking water and wastewater treatment require significant electricity inputs to clean, disinfect, and pump water. Due to this energy-water nexus, energy efficiency measures might be a cost-effective approach to reducing water use and water efficiency measures might support energy savings as well. This research characterizes the cost-effectiveness of different efficiency approaches in households by quantifying the direct and indirect water and energy savings that could be realized through efficiency measures, such as low-flow fixtures, energy and water efficient appliances, distributed generation, and solar water heating. Potential energy and water savings from these efficiency measures was analyzed in a product-lifetime adjusted economic model comparing efficiency measures to conventional counterparts. Results were displayed as cost abatement curves indicating the most economical measures to implement for a target reduction in water and/or energy consumption. These cost abatement curves are useful in supporting market innovation and investment in residential-scale efficiency.

  8. Excited state free energy calculations of Cy3 in different environments

    NASA Astrophysics Data System (ADS)

    Sawangsang, Pilailuk; Buranachai, Chittanon; Punwong, Chutintorn

    2015-05-01

    Cy3, a cyanine dye, is one of the most widely used dyes in investigating the structure and dynamics of biomolecules by means of fluorescence methods. However, Cy3 fluorescence emission is strongly competed by trans-cis isomerization, whose efficiency is dictated by the isomerization energy barrier and the environment of Cy3. The fluorescence quantum yield of Cy3 is very low when the dye is free in homogeneous solution but it is considerably enhanced in an environment that rigidifies the structure, e.g. when it is attached to a DNA strand. In this work, the barriers for isomerization on the excited state of free Cy3, and Cy3 attached to single- and double-stranded DNA in methanol, are presented. The free energy and subsequently the isomerization barrier calculations are performed using the umbrella sampling technique with the weighted histogram analysis method. The hybrid quantum mechanics/molecular mechanics (QM/MM) approach is employed to provide the potential energy surfaces for the excited state dynamics simulations in umbrella sampling. The semiempirical floating occupation molecular orbital configuration interaction method is used for electronic excited state calculations of the QM region (Cy3). From the free energy calculations, the barrier of Cy3 attached to the single-stranded DNA is highest, in agreement with previously reported experimental results. This is likely due to the stacking interaction between Cy3 and DNA. Such a stacking interaction is likely associated with steric hindrance that prevents the rotation around the conjugated bonds of Cy3. If Cy3 experiences high steric hindrance, it has a higher isomerization barrier and thus the efficiency of fluorescence emission increases.

  9. Multi-scale characterization of the energy landscape of proteins with application to the C3D/Efb-C complex.

    PubMed

    Haspel, Nurit; Geisbrecht, Brian V; Lambris, John; Kavraki, Lydia

    2010-03-01

    We present a novel multi-level methodology to explore and characterize the low energy landscape and the thermodynamics of proteins. Traditional conformational search methods typically explore only a small portion of the conformational space of proteins and are hard to apply to large proteins due to the large amount of calculations required. In our multi-scale approach, we first provide an initial characterization of the equilibrium state ensemble of a protein using an efficient computational conformational sampling method. We then enrich the obtained ensemble by performing short Molecular Dynamics (MD) simulations on selected conformations from the ensembles as starting points. To facilitate the analysis of the results, we project the resulting conformations on a low-dimensional landscape to efficiently focus on important interactions and examine low energy regions. This methodology provides a more extensive sampling of the low energy landscape than an MD simulation starting from a single crystal structure as it explores multiple trajectories of the protein. This enables us to obtain a broader view of the dynamics of proteins and it can help in understanding complex binding, improving docking results and more. In this work, we apply the methodology to provide an extensive characterization of the bound complexes of the C3d fragment of human Complement component C3 and one of its powerful bacterial inhibitors, the inhibitory domain of Staphylococcus aureus extra-cellular fibrinogen-binding domain (Efb-C) and two of its mutants. We characterize several important interactions along the binding interface and define low free energy regions in the three complexes. Proteins 2010. (c) 2009 Wiley-Liss, Inc.

  10. Energy Efficiency Programs in K-12 Schools: A Guide to Developing and Implementing Greenhouse Gas Reduction Programs. Local Government Climate and Energy Strategy Series

    ERIC Educational Resources Information Center

    US Environmental Protection Agency, 2011

    2011-01-01

    Saving energy through energy efficiency improvements can cost less than generating, transmitting, and distributing energy from power plants, and provides multiple economic and environmental benefits. Local governments can promote energy efficiency in their jurisdictions by developing and implementing strategies that improve the efficiency of…

  11. Updated estimation of energy efficiencies of U.S. petroleum refineries.

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

    Palou-Rivera, I.; Wang, M. Q.

    2010-12-08

    Evaluation of life-cycle (or well-to-wheels, WTW) energy and emission impacts of vehicle/fuel systems requires energy use (or energy efficiencies) of energy processing or conversion activities. In most such studies, petroleum fuels are included. Thus, determination of energy efficiencies of petroleum refineries becomes a necessary step for life-cycle analyses of vehicle/fuel systems. Petroleum refinery energy efficiencies can then be used to determine the total amount of process energy use for refinery operation. Furthermore, since refineries produce multiple products, allocation of energy use and emissions associated with petroleum refineries to various petroleum products is needed for WTW analysis of individual fuels suchmore » as gasoline and diesel. In particular, GREET, the life-cycle model developed at Argonne National Laboratory with DOE sponsorship, compares energy use and emissions of various transportation fuels including gasoline and diesel. Energy use in petroleum refineries is key components of well-to-pump (WTP) energy use and emissions of gasoline and diesel. In GREET, petroleum refinery overall energy efficiencies are used to determine petroleum product specific energy efficiencies. Argonne has developed petroleum refining efficiencies from LP simulations of petroleum refineries and EIA survey data of petroleum refineries up to 2006 (see Wang, 2008). This memo documents Argonne's most recent update of petroleum refining efficiencies.« less

  12. 76 FR 45786 - Proposed Agency Information Collection

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-08-01

    ... DEPARTMENT OF ENERGY Office of Energy Efficiency and Renewable Energy [Docket Number EERE-2011-BT-NOA-0039] Proposed Agency Information Collection AGENCY: Office of Energy Efficiency and Renewable... sent to Mr. Alan Schroeder, U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy...

  13. 76 FR 7815 - Renewable Energy and Energy Efficiency Advisory Committee

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-02-11

    ... DEPARTMENT OF COMMERCE International Trade Administration Renewable Energy and Energy Efficiency... of an open meeting. SUMMARY: The Renewable Energy and Energy Efficiency Advisory Committee (RE&EEAC) will hold a meeting to hear presentations from the Departments of Energy and Commerce on how their...

  14. Chapter 4: Small Commercial and Residential Unitary and Split System HVAC Heating and Cooling Equipment-Efficiency Upgrade Evaluation Protocol. The Uniform Methods Project: Methods for Determining Energy Efficiency Savings for Specific Measures

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

    Kurnik, Charles W; Jacobson, David; Metoyer, Jarred

    The specific measure described here involves improving the overall efficiency in air-conditioning systems as a whole (compressor, evaporator, condenser, and supply fan). The efficiency rating is expressed as the energy efficiency ratio (EER), seasonal energy efficiency ratio (SEER), and integrated energy efficiency ratio (IEER). The higher the EER, SEER or IEER, the more efficient the unit is.

  15. Gas kinematics in powerful radio galaxies at z 2: Energy supply from star formation, AGN, and radio jets⋆

    NASA Astrophysics Data System (ADS)

    Nesvadba, N. P. H.; Drouart, G.; De Breuck, C.; Best, P.; Seymour, N.; Vernet, J.

    2017-04-01

    We compare the kinetic energy and momentum injection rates from intense star formation, bolometric AGN radiation, and radio jets with the kinetic energy and momentum observed in the warm ionized gas in 24 powerful radio galaxies at z 2. These galaxies are among our best candidates for being massive galaxies near the end of their active formation period, when intense star formation, quasar activity, and powerful radio jets all co-exist. All galaxies have VLT/SINFONI imaging spectroscopy of the rest-frame optical line emission, showing extended emission-line regions with large velocity offsets (up to 1500 km s-1) and line widths (typically 800-1000 km s-1) consistent with very turbulent, often outflowing gas. As part of the HeRGÉ sample, they also have FIR estimates of the star formation and quasar activity obtained with Herschel/PACS and SPIRE, which enables us to measure the relative energy and momentum release from each of the three main sources of feedback in massive, star-forming AGN host galaxies during their most rapid formation phase. We find that star formation falls short by factors 10-1000 of providing the energy and momentum necessary to power the observed gas kinematics. The obscured quasars in the nuclei of these galaxies provide enough energy and momentum in about half of the sample, however, only if both are transferred to the gas relatively efficiently. We compare with theoretical and observational constraints on the efficiency of the energy and momentum transfer from jet and AGN radiation, which favors the radio jets as main drivers of the gas kinematics. Based on observations carried out with the Very Large Telescope of ESO under Program IDs 079.A-0617, 084.A-0324, 085.A-0897, and 090.A-0614.Herschel is an ESA space observatory with science instruments provided by European-led Principal Investigator consortia and with important participation from NASA.

  16. A Novel Approach To Improve the Efficiency of Block Freeze Concentration Using Ice Nucleation Proteins with Altered Ice Morphology.

    PubMed

    Jin, Jue; Yurkow, Edward J; Adler, Derek; Lee, Tung-Ching

    2017-03-22

    Freeze concentration is a separation process with high success in product quality. The remaining challenge is to achieve high efficiency with low cost. This study aims to evaluate the potential of using ice nucleation proteins (INPs) as an effective method to improve the efficiency of block freeze concentration while also exploring the related mechanism of ice morphology. Our results show that INPs are able to significantly improve the efficiency of block freeze concentration in a desalination model. Using this experimental system, we estimate that approximately 50% of the energy cost can be saved by the inclusion of INPs in desalination cycles while still meeting the EPA standard of drinking water (<500 ppm). Our investigative tools for ice morphology include optical microscopy and X-ray computed tomography imaging analysis. Their use indicates that INPs promote the development of a lamellar structured ice matrix with larger hydraulic diameters, which facilitates brine drainage and contains less brine entrapment as compared to control samples. These results suggest great potential for applying INPs to develop an energy-saving freeze concentration method via the alteration of ice morphology.

  17. Environmental efficiency of energy, materials, and emissions.

    PubMed

    Yagi, Michiyuki; Fujii, Hidemichi; Hoang, Vincent; Managi, Shunsuke

    2015-09-15

    This study estimates the environmental efficiency of international listed firms in 10 worldwide sectors from 2007 to 2013 by applying an order-m method, a non-parametric approach based on free disposal hull with subsampling bootstrapping. Using a conventional output of gross profit and two conventional inputs of labor and capital, this study examines the order-m environmental efficiency accounting for the presence of each of 10 undesirable inputs/outputs and measures the shadow prices of each undesirable input and output. The results show that there is greater potential for the reduction of undesirable inputs rather than bad outputs. On average, total energy, electricity, or water usage has the potential to be reduced by 50%. The median shadow prices of undesirable inputs, however, are much higher than the surveyed representative market prices. Approximately 10% of the firms in the sample appear to be potential sellers or production reducers in terms of undesirable inputs/outputs, which implies that the price of each item at the current level has little impact on most of the firms. Moreover, this study shows that the environmental, social, and governance activities of a firm do not considerably affect environmental efficiency. Copyright © 2015 Elsevier Ltd. All rights reserved.

  18. Breaking the polar-nonpolar division in solvation free energy prediction.

    PubMed

    Wang, Bao; Wang, Chengzhang; Wu, Kedi; Wei, Guo-Wei

    2018-02-05

    Implicit solvent models divide solvation free energies into polar and nonpolar additive contributions, whereas polar and nonpolar interactions are inseparable and nonadditive. We present a feature functional theory (FFT) framework to break this ad hoc division. The essential ideas of FFT are as follows: (i) representability assumption: there exists a microscopic feature vector that can uniquely characterize and distinguish one molecule from another; (ii) feature-function relationship assumption: the macroscopic features, including solvation free energy, of a molecule is a functional of microscopic feature vectors; and (iii) similarity assumption: molecules with similar microscopic features have similar macroscopic properties, such as solvation free energies. Based on these assumptions, solvation free energy prediction is carried out in the following protocol. First, we construct a molecular microscopic feature vector that is efficient in characterizing the solvation process using quantum mechanics and Poisson-Boltzmann theory. Microscopic feature vectors are combined with macroscopic features, that is, physical observable, to form extended feature vectors. Additionally, we partition a solvation dataset into queries according to molecular compositions. Moreover, for each target molecule, we adopt a machine learning algorithm for its nearest neighbor search, based on the selected microscopic feature vectors. Finally, from the extended feature vectors of obtained nearest neighbors, we construct a functional of solvation free energy, which is employed to predict the solvation free energy of the target molecule. The proposed FFT model has been extensively validated via a large dataset of 668 molecules. The leave-one-out test gives an optimal root-mean-square error (RMSE) of 1.05 kcal/mol. FFT predictions of SAMPL0, SAMPL1, SAMPL2, SAMPL3, and SAMPL4 challenge sets deliver the RMSEs of 0.61, 1.86, 1.64, 0.86, and 1.14 kcal/mol, respectively. Using a test set of 94 molecules and its associated training set, the present approach was carefully compared with a classic solvation model based on weighted solvent accessible surface area. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  19. Enhanced Sampling in the Well-Tempered Ensemble

    NASA Astrophysics Data System (ADS)

    Bonomi, M.; Parrinello, M.

    2010-05-01

    We introduce the well-tempered ensemble (WTE) which is the biased ensemble sampled by well-tempered metadynamics when the energy is used as collective variable. WTE can be designed so as to have approximately the same average energy as the canonical ensemble but much larger fluctuations. These two properties lead to an extremely fast exploration of phase space. An even greater efficiency is obtained when WTE is combined with parallel tempering. Unbiased Boltzmann averages are computed on the fly by a recently developed reweighting method [M. Bonomi , J. Comput. Chem. 30, 1615 (2009)JCCHDD0192-865110.1002/jcc.21305]. We apply WTE and its parallel tempering variant to the 2d Ising model and to a Gō model of HIV protease, demonstrating in these two representative cases that convergence is accelerated by orders of magnitude.

  20. Enhanced sampling in the well-tempered ensemble.

    PubMed

    Bonomi, M; Parrinello, M

    2010-05-14

    We introduce the well-tempered ensemble (WTE) which is the biased ensemble sampled by well-tempered metadynamics when the energy is used as collective variable. WTE can be designed so as to have approximately the same average energy as the canonical ensemble but much larger fluctuations. These two properties lead to an extremely fast exploration of phase space. An even greater efficiency is obtained when WTE is combined with parallel tempering. Unbiased Boltzmann averages are computed on the fly by a recently developed reweighting method [M. Bonomi, J. Comput. Chem. 30, 1615 (2009)]. We apply WTE and its parallel tempering variant to the 2d Ising model and to a Gō model of HIV protease, demonstrating in these two representative cases that convergence is accelerated by orders of magnitude.

  1. Design and building of new spin polarized Positron Annihilation Induced Auger Electron Spectrometer

    NASA Astrophysics Data System (ADS)

    Lim, Zheng Hui; Mishler, Michael; Joglekar, Prasad; Shastry, Karthik; Koymen, Ali; Sharma, Suresh; Weiss, Alexander

    2014-03-01

    We propose to develop a next generation high flux variable energy spin-polarized position beam facility for materials studies. This new system will have a higher efficiency than our current system, and it will also be the first in the world to combine spin polarization with a time of flight Positron Annihilation induced Auger Electron Spectroscopy (PAES). The spin polarized positrons are electromagnetically guided towards the sample with an axial magnetic field and perpendicular electric fields. These incident positrons get annihilated at the surface of the sample creating two gamma rays and auger electrons via Auger transitions. These signals are useful in characterizing material surface, surface magnetization, and energy sharing in valence band. This new spectrometer, which is currently under construction, will be a next generation positron system. NSF.

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

    NASA Astrophysics Data System (ADS)

    Downs, Anna

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

  3. Research on the energy and ecological efficiency of mechanical equipment remanufacturing systems

    NASA Astrophysics Data System (ADS)

    Shi, Junli; Cheng, Jinshi; Ma, Qinyi; Wang, Yajun

    2017-08-01

    According to the characteristics of mechanical equipment remanufacturing system, the dynamic performance of energy consumption and emission is explored, the equipment energy efficiency and emission analysis model is established firstly, and then energy and ecological efficiency analysis method of the remanufacturing system is put forward, at last, the energy and ecological efficiency of WD615.87 automotive diesel engine remanufacturing system as an example is analyzed, the way of energy efficiency improvementnt and environmental friendly mechanism of remanufacturing process is put forward.

  4. Save Money and the Planet: Make Your School Energy Efficient.

    ERIC Educational Resources Information Center

    Lewis, Eleanor J.; Weltman, Eric

    1993-01-01

    Examines ways in which schools can cut their energy costs. Suggestions are provided for making school lighting more efficient, conducting a life-cycle cost analysis to facilitate energy efficiency, and developing funding for implementing energy-efficient projects. (GLR)

  5. [Efficiency of industrial energy conservation and carbon emission reduction in Liaoning Pro-vince based on data envelopment analysis (DEA)method.

    PubMed

    Wang, Li; Xi, Feng Ming; Li, Jin Xin; Liu, Li Li

    2016-09-01

    Taking 39 industries as independent decision-making units in Liaoning Province from 2003 to 2012 and considering the benefits of energy, economy and environment, we combined direction distance function and radial DEA method to estimate and decompose the energy conservation and carbon emissions reduction efficiency of the industries. Carbon emission of each industry was calculated and defined as an undesirable output into the model of energy saving and carbon emission reduction efficiency. The results showed that energy saving and carbon emission reduction efficiency of industries had obvious heterogeneity in Liaoning Province. The whole energy conservation and carbon emissions reduction efficiency in each industry of Liaoning Province was not high, but it presented a rising trend. Improvements of pure technical efficiency and scale efficiency were the main measures to enhance energy saving and carbon emission reduction efficiency, especially scale efficiency improvement. In order to improve the energy saving and carbon emission reduction efficiency of each industry in Liaoning Province, we put forward that Liaoning Province should adjust industry structure, encourage the development of low carbon high benefit industries, improve scientific and technological level and adjust the industry scale reasonably, meanwhile, optimize energy structure, and develop renewable and clean energy.

  6. 76 FR 47566 - Agency Information Collection Extension; Correction

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-08-05

    ... DEPARTMENT OF ENERGY Office of Energy Efficiency and Renewable Energy Agency Information Collection Extension; Correction AGENCY: Office of Energy Efficiency and Renewable Energy, U.S. Department of... INFORMATION CONTACT: Benjamin Goldstein, Buy American Coordinator, Office of Energy Efficiency and Renewable...

  7. Long-term shifts in life-cycle energy efficiency and carbon intensity.

    PubMed

    Yeh, Sonia; Mishra, Gouri Shankar; Morrison, Geoff; Teter, Jacob; Quiceno, Raul; Gillingham, Kenneth; Riera-Palou, Xavier

    2013-03-19

    The quantity of primary energy needed to support global human activity is in large part determined by how efficiently that energy is converted to a useful form. We estimate the system-level life-cycle energy efficiency (EF) and carbon intensity (CI) across primary resources for 2005-2100. Our results underscore that although technological improvements at each energy conversion process will improve technology efficiency and lead to important reductions in primary energy use, market mediated effects and structural shifts toward less efficient pathways and pathways with multiple stages of conversion will dampen these efficiency gains. System-level life-cycle efficiency may decrease as mitigation efforts intensify, since low-efficiency renewable systems with high output have much lower GHG emissions than some high-efficiency fossil fuel systems. Climate policies accelerate both improvements in EF and the adoption of renewable technologies, resulting in considerably lower primary energy demand and GHG emissions. Life-cycle EF and CI of useful energy provide a useful metric for understanding dynamics of implementing climate policies. The approaches developed here reiterate the necessity of a combination of policies that target efficiency and decarbonized energy technologies. We also examine life-cycle exergy efficiency (ExF) and find that nearly all of the qualitative results hold regardless of whether we use ExF or EF.

  8. 76 FR 57956 - Renewable Energy and Energy Efficiency Executive Business Development Mission; Clarification and...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-09-19

    ... DEPARTMENT OF COMMERCE International Trade Administration Renewable Energy and Energy Efficiency... the Notice of the Renewable Energy and Energy Efficiency Executive Business Development Mission, 76 FR... U.S. renewable energy firms and trade organizations which have not already submitted an application...

  9. 48 CFR 952.223 - Clauses related to environment, energy and water efficiency, renewable energy technologies...

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... environment, energy and water efficiency, renewable energy technologies, occupational safety, and drug-free workplace. 952.223 Section 952.223 Federal Acquisition Regulations System DEPARTMENT OF ENERGY CLAUSES AND... related to environment, energy and water efficiency, renewable energy technologies, occupational safety...

  10. 48 CFR 952.223 - Clauses related to environment, energy and water efficiency, renewable energy technologies...

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... environment, energy and water efficiency, renewable energy technologies, occupational safety, and drug-free workplace. 952.223 Section 952.223 Federal Acquisition Regulations System DEPARTMENT OF ENERGY CLAUSES AND... related to environment, energy and water efficiency, renewable energy technologies, occupational safety...

  11. 48 CFR 952.223 - Clauses related to environment, energy and water efficiency, renewable energy technologies...

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... environment, energy and water efficiency, renewable energy technologies, occupational safety, and drug-free workplace. 952.223 Section 952.223 Federal Acquisition Regulations System DEPARTMENT OF ENERGY CLAUSES AND... related to environment, energy and water efficiency, renewable energy technologies, occupational safety...

  12. 48 CFR 952.223 - Clauses related to environment, energy and water efficiency, renewable energy technologies...

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... environment, energy and water efficiency, renewable energy technologies, occupational safety, and drug-free workplace. 952.223 Section 952.223 Federal Acquisition Regulations System DEPARTMENT OF ENERGY CLAUSES AND... related to environment, energy and water efficiency, renewable energy technologies, occupational safety...

  13. 48 CFR 952.223 - Clauses related to environment, energy and water efficiency, renewable energy technologies...

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... environment, energy and water efficiency, renewable energy technologies, occupational safety, and drug-free workplace. 952.223 Section 952.223 Federal Acquisition Regulations System DEPARTMENT OF ENERGY CLAUSES AND... related to environment, energy and water efficiency, renewable energy technologies, occupational safety...

  14. 10 CFR 431.95 - Materials incorporated by reference.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... Energy Efficiency and Renewable Energy, Hearings and Dockets, “Test Procedures and Efficiency Standards... 10 Energy 3 2012-01-01 2012-01-01 false Materials incorporated by reference. 431.95 Section 431.95 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY PROGRAM FOR CERTAIN COMMERCIAL AND...

  15. 76 FR 26695 - Renewable Energy and Energy Efficiency Advisory Committee

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-05-09

    ... DEPARTMENT OF COMMERCE International Trade Administration Renewable Energy and Energy Efficiency... of an open meeting. SUMMARY: The Renewable Energy and Energy Efficiency Advisory Committee (RE&EEAC) will meet to hear briefings on the state of renewable energy finance and to discuss the development of...

  16. Accelerating Energy Efficiency in Indian Data Centers. Final Report for Phase I Activities

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

    Ganguly, Suprotim; Raje, Sanyukta; Kumar, Satish

    This report documents Phase 1 of the “Accelerating Energy Efficiency in Indian Data Centers” initiative to support the development of an energy efficiency policy framework for Indian data centers. The initiative is being led by the Confederation of Indian Industry (CII), in collaboration with Lawrence Berkeley National Laboratory (LBNL)-U.S. Department of Energy’s Office of Energy Efficiency and Renewable Energy, and under the guidance of Bureau of Energy Efficiency (BEE). It is also part of the larger Power and Energy Efficiency Working Group of the US-India Bilateral Energy Dialogue. The initiative consists of two phases: Phase 1 (November 2014 – Septembermore » 2015) and Phase 2 (October 2015 – September 2016).« less

  17. Status of China's Energy Efficiency Standards and Labels for Appliances and International Collaboration

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

    Zhou, Nan

    2008-03-01

    China first adopted minimum energy performance standards (MEPS) in 1989. Today, there are standards for a wide range of domestic, commercial and selected industrial equipment. In 1999, China launched a voluntary endorsement label, which has grown to cover over 40 products including water-saving products (See Figure 1). Further, in 2005, China started a mandatory energy information label (also referred to as the 'Energy Label'). Today, the Energy Label is applied to four products including: air conditioners; household refrigerators; clothes washers; and unitary air conditioners (See Figure 2). MEPS and the voluntary endorsement labeling specifications have been updated and revised inmore » order to reflect technology improvements to those products in the market. These programs have had an important impact in reducing energy consumption of appliances in China. Indeed, China has built up a strong infrastructure to develop and implement product standards. Historically, however, the government's primary focus has been on the technical requirements for efficiency performance. Less attention has been paid to monitoring and enforcement with a minimal commitment of resources and little expansion of administrative capacity in this area. Thus, market compliance with both mandatory standards and labeling programs has been questionable and actual energy savings may have been undermined as a result. The establishment of a regularized monitoring system for tracking compliance with the mandatory standard and energy information label in China is a major area for program improvement. Over the years, the Collaborative Labeling and Appliance Standards Program (CLASP) has partnered with several Chinese institutions to promote energy-efficient products in China. CLASP, together with its implementing partner Lawrence Berkeley National Laboratory (LBNL), has assisted China in developing and updating the above-mentioned standards and labeling programs. Because of the increasing need for the development of a monitoring system to track compliance with standards and labeling, CLASP, with support from Japan's Ministry of Economy, Trade and Industry (METI), has expanded its ongoing collaboration with the China National Institute of Standards (CNIS) to include enforcement and monitoring. CNIS has already begun working on the issue of compliance. CNIS has conducted modest sample testing in 2006 for refrigerators, freezers and room air-conditioners, and repeated the same task in 2007 with a similar sample size for three products (refrigerators, freezers, air-conditioners and clothes washers). And, CNIS, with technical support from LBNL, has analyzed the data collected through testing. At the same time, parallel effort has also been paid to look at the potential impact of the label to 2020. In conjunction with CNIS, CLASP technical experts reviewed the standards development timeline of the four products currently subject to the mandatory energy information label. CLASP, with the support of METI/IEEJ, collaborated with CNIS to develop the efficiency grades, providing: technical input to the process; comment and advice on particular technical issues; as well as evaluation of the results. In addition, in order to effectively evaluate the impact of the label on China's market, CLASP further provided assistance to CNIS to collect data on both the efficiency distribution and product volume distribution of refrigerators on the market. This short report summarizes the status of Standards and Labeling program, current enforcement and monitoring mechanism in China, and states the importance of international collaborations.« less

  18. Accessing Secondary Markets as a Capital Source for Energy Efficiency Finance Programs: Program Design Considerations for Policymakers and Administrators

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

    Kramer, C.; Martin, E. Fadrhonc; Thompson, P.

    Estimates of the total opportunity for investment in cost-effective energy efficiency in the United States are typically in the range of several hundred billion dollars (Choi Granade, et al., 2009 and Fulton & Brandenburg, 2012).1,2 To access this potential, many state policymakers and utility regulators have established aggressive energy efficiency savings targets. Current levels of taxpayer and utility bill-payer funding for energy efficiency is only a small fraction of the total investment needed to meet these targets (SEE Action Financing Solutions Working Group, 2013). Given this challenge, some energy efficiency program administrators are working to access private capital sources withmore » the aim of amplifying the funds available for investment. In this context, efficient access to secondary market capital has been advanced as one important enabler of the energy efficiency industry “at scale.”3 The question of what role secondary markets can play in bringing energy efficiency to scale is largely untested despite extensive attention from media, technical publications, advocates, and others. Only a handful of transactions of energy efficiency loan products have been executed to date, and it is too soon to draw robust conclusions from these deals. At the same time, energy efficiency program administrators and policymakers face very real decisions regarding whether and how to access secondary markets as part of their energy efficiency deployment strategy.« less

  19. Identification of heavy-flavour jets with the CMS detector in pp collisions at 13 TeV

    NASA Astrophysics Data System (ADS)

    Sirunyan, A. M.; Tumasyan, A.; Adam, W.; Ambrogi, F.; Asilar, E.; Bergauer, T.; Brandstetter, J.; Brondolin, E.; Dragicevic, M.; Erö, J.; Escalante Del Valle, A.; Flechl, M.; Friedl, M.; Frühwirth, R.; Ghete, V. M.; Grossmann, J.; Hrubec, J.; Jeitler, M.; König, A.; Krammer, N.; Krätschmer, I.; Liko, D.; Madlener, T.; Mikulec, I.; Pree, E.; Rad, N.; Rohringer, H.; Schieck, J.; Schöfbeck, R.; Spanring, M.; Spitzbart, D.; Waltenberger, W.; Wittmann, J.; Wulz, C.-E.; Zarucki, M.; Chekhovsky, V.; Mossolov, V.; Suarez Gonzalez, J.; De Wolf, E. A.; Di Croce, D.; Janssen, X.; Lauwers, J.; Van De Klundert, M.; Van Haevermaet, H.; Van Mechelen, P.; Van Remortel, N.; Abu Zeid, S.; Blekman, F.; D'Hondt, J.; De Bruyn, I.; De Clercq, J.; Deroover, K.; Flouris, G.; Lontkovskyi, D.; Lowette, S.; Marchesini, I.; Moortgat, S.; Moreels, L.; Python, Q.; Skovpen, K.; Tavernier, S.; Van Doninck, W.; Van Mulders, P.; Van Parijs, I.; Beghin, D.; Bilin, B.; Brun, H.; Clerbaux, B.; De Lentdecker, G.; Delannoy, H.; Dorney, B.; Fasanella, G.; Favart, L.; Goldouzian, R.; Grebenyuk, A.; Lenzi, T.; Luetic, J.; Maerschalk, T.; Marinov, A.; Seva, T.; Starling, E.; Vander Velde, C.; Vanlaer, P.; Vannerom, D.; Yonamine, R.; Zenoni, F.; Zhang, F.; Cimmino, A.; Cornelis, T.; Dobur, D.; Fagot, A.; Gul, M.; Khvastunov, I.; Poyraz, D.; Roskas, C.; Salva, S.; Tytgat, M.; Verbeke, W.; Zaganidis, N.; Bakhshiansohi, H.; Bondu, O.; Brochet, S.; Bruno, G.; Caputo, C.; Caudron, A.; David, P.; De Visscher, S.; Delaere, C.; Delcourt, M.; Francois, B.; Giammanco, A.; Komm, M.; Krintiras, G.; Lemaitre, V.; Magitteri, A.; Mertens, A.; Musich, M.; Piotrzkowski, K.; Quertenmont, L.; Saggio, A.; Vidal Marono, M.; Wertz, S.; Zobec, J.; Aldá Júnior, W. L.; Alves, F. L.; Alves, G. A.; Brito, L.; Correa Martins Junior, M.; Hensel, C.; Moraes, A.; Pol, M. E.; Rebello Teles, P.; Belchior Batista Das Chagas, E.; Carvalho, W.; Chinellato, J.; Coelho, E.; Da Costa, E. M.; Da Silveira, G. G.; Damiao, D. De Jesus; Fonseca De Souza, S.; Huertas Guativa, L. M.; Malbouisson, H.; Melo De Almeida, M.; Mora Herrera, C.; Mundim, L.; Nogima, H.; Sanchez Rosas, L. J.; Santoro, A.; Sznajder, A.; Thiel, M.; Tonelli Manganote, E. J.; Torres Da Silva De Araujo, F.; Vilela Pereira, A.; Ahuja, S.; Bernardes, C. A.; Fernandez Perez Tomei, T. R.; Gregores, E. M.; Mercadante, P. G.; Novaes, S. F.; Padula, Sandra S.; Romero Abad, D.; Ruiz Vargas, J. C.; Aleksandrov, A.; Hadjiiska, R.; Iaydjiev, P.; Misheva, M.; Rodozov, M.; Shopova, M.; Sultanov, G.; Dimitrov, A.; Litov, L.; Pavlov, B.; Petkov, P.; Fang, W.; Gao, X.; Yuan, L.; Ahmad, M.; Chen, G. M.; Chen, H. S.; Chen, M.; Chen, Y.; Jiang, C. H.; Leggat, D.; Liao, H.; Liu, Z.; Romeo, F.; Shaheen, S. M.; Spiezia, A.; Tao, J.; Thomas-wilsker, J.; Wang, C.; Wang, Z.; Yazgan, E.; Zhang, H.; Zhang, S.; Zhao, J.; Ban, Y.; Chen, G.; Li, J.; Li, Q.; Liu, S.; Mao, Y.; Qian, S. J.; Wang, D.; Xu, Z.; Wang, Y.; Avila, C.; Cabrera, A.; Carrillo Montoya, C. A.; Chaparro Sierra, L. F.; Florez, C.; González Hernández, C. F.; Ruiz Alvarez, J. D.; Segura Delgado, M. A.; Courbon, B.; Godinovic, N.; Lelas, D.; Puljak, I.; Ribeiro Cipriano, P. M.; Sculac, T.; Antunovic, Z.; Kovac, M.; Brigljevic, V.; Ferencek, D.; Kadija, K.; Mesic, B.; Starodumov, A.; Susa, T.; Ather, M. W.; Attikis, A.; Mavromanolakis, G.; Mousa, J.; Nicolaou, C.; Ptochos, F.; Razis, P. A.; Rykaczewski, H.; Finger, M.; Finger, M., Jr.; Carrera Jarrin, E.; El-khateeb, E.; Elgammal, S.; Ellithi Kamel, A.; Dewanjee, R. K.; Kadastik, M.; Perrini, L.; Raidal, M.; Tiko, A.; Veelken, C.; Eerola, P.; Kirschenmann, H.; Pekkanen, J.; Voutilainen, M.; Havukainen, J.; Heikkilä, J. K.; Järvinen, T.; Karimäki, V.; Kinnunen, R.; Lampén, T.; Lassila-Perini, K.; Laurila, S.; Lehti, S.; Lindén, T.; Luukka, P.; Siikonen, H.; Tuominen, E.; Tuominiemi, J.; Tuuva, T.; Besancon, M.; Couderc, F.; Dejardin, M.; Denegri, D.; Faure, J. L.; Ferri, F.; Ganjour, S.; Ghosh, S.; Gras, P.; Hamel de Monchenault, G.; Jarry, P.; Kucher, I.; Leloup, C.; Locci, E.; Machet, M.; Malcles, J.; Negro, G.; Rander, J.; Rosowsky, A.; Sahin, M. Ö.; Titov, M.; Abdulsalam, A.; Amendola, C.; Antropov, I.; Baffioni, S.; Beaudette, F.; Busson, P.; Cadamuro, L.; Charlot, C.; Granier de Cassagnac, R.; Jo, M.; Lisniak, S.; Lobanov, A.; Blanco, J. Martin; Nguyen, M.; Ochando, C.; Ortona, G.; Paganini, P.; Pigard, P.; Salerno, R.; Sauvan, J. B.; Sirois, Y.; Stahl Leiton, A. G.; Strebler, T.; Yilmaz, Y.; Zabi, A.; Zghiche, A.; Agram, J.-L.; Andrea, J.; Bloch, D.; Brom, J.-M.; Buttignol, M.; Chabert, E. C.; Chanon, N.; Collard, C.; Conte, E.; Coubez, X.; Fontaine, J.-C.; Gelé, D.; Goerlach, U.; Jansová, M.; Le Bihan, A.-C.; Tonon, N.; Van Hove, P.; Gadrat, S.; Beauceron, S.; Bernet, C.; Boudoul, G.; Chierici, R.; Contardo, D.; Depasse, P.; El Mamouni, H.; Fay, J.; Finco, L.; Gascon, S.; Gouzevitch, M.; Grenier, G.; Ille, B.; Lagarde, F.; Laktineh, I. B.; Lethuillier, M.; Mirabito, L.; Pequegnot, A. L.; Perries, S.; Popov, A.; Sordini, V.; Vander Donckt, M.; Viret, S.; Khvedelidze, A.; Tsamalaidze, Z.; Autermann, C.; Feld, L.; Kiesel, M. K.; Klein, K.; Lipinski, M.; Preuten, M.; Schomakers, C.; Schulz, J.; Teroerde, M.; Zhukov, V.; Albert, A.; Dietz-Laursonn, E.; Duchardt, D.; Endres, M.; Erdmann, M.; Erdweg, S.; Esch, T.; Fischer, R.; Güth, A.; Hamer, M.; Hebbeker, T.; Heidemann, C.; Hoepfner, K.; Knutzen, S.; Merschmeyer, M.; Meyer, A.; Millet, P.; Mukherjee, S.; Pook, T.; Radziej, M.; Reithler, H.; Rieger, M.; Scheuch, F.; Teyssier, D.; Thüer, S.; Flügge, G.; Kargoll, B.; Kress, T.; Künsken, A.; Müller, T.; Nehrkorn, A.; Nowack, A.; Pistone, C.; Pooth, O.; Stahl, A.; Aldaya Martin, M.; Arndt, T.; Asawatangtrakuldee, C.; Beernaert, K.; Behnke, O.; Behrens, U.; Bermúdez Martínez, A.; Anuar, A. A. Bin; Borras, K.; Botta, V.; Campbell, A.; Connor, P.; Contreras-Campana, C.; Costanza, F.; Defranchis, M. M.; Diez Pardos, C.; Eckerlin, G.; Eckstein, D.; Eichhorn, T.; Eren, E.; Gallo, E.; Garay Garcia, J.; Geiser, A.; Grados Luyando, J. M.; Grohsjean, A.; Gunnellini, P.; Guthoff, M.; Harb, A.; Hauk, J.; Hempel, M.; Jung, H.; Kasemann, M.; Keaveney, J.; Kleinwort, C.; Korol, I.; Krücker, D.; Lange, W.; Lelek, A.; Lenz, T.; Leonard, J.; Lipka, K.; Lohmann, W.; Mankel, R.; Melzer-Pellmann, I.-A.; Meyer, A. B.; Mittag, G.; Mnich, J.; Mussgiller, A.; Ntomari, E.; Pitzl, D.; Raspereza, A.; Savitskyi, M.; Saxena, P.; Shevchenko, R.; Spannagel, S.; Stefaniuk, N.; Van Onsem, G. P.; Walsh, R.; Wen, Y.; Wichmann, K.; Wissing, C.; Zenaiev, O.; Aggleton, R.; Bein, S.; Blobel, V.; Centis Vignali, M.; Dreyer, T.; Garutti, E.; Gonzalez, D.; Haller, J.; Hinzmann, A.; Hoffmann, M.; Karavdina, A.; Klanner, R.; Kogler, R.; Kovalchuk, N.; Kurz, S.; Lapsien, T.; Marconi, D.; Meyer, M.; Niedziela, M.; Nowatschin, D.; Pantaleo, F.; Peiffer, T.; Perieanu, A.; Scharf, C.; Schleper, P.; Schmidt, A.; Schumann, S.; Schwandt, J.; Sonneveld, J.; Stadie, H.; Steinbrück, G.; Stober, F. M.; Stöver, M.; Tholen, H.; Troendle, D.; Usai, E.; Vanhoefer, A.; Vormwald, B.; Akbiyik, M.; Barth, C.; Baselga, M.; Baur, S.; Butz, E.; Caspart, R.; Chwalek, T.; Colombo, F.; De Boer, W.; Dierlamm, A.; El Morabit, K.; Faltermann, N.; Freund, B.; Friese, R.; Giffels, M.; Harrendorf, M. A.; Hartmann, F.; Heindl, S. M.; Husemann, U.; Kassel, F.; Kudella, S.; Mildner, H.; Mozer, M. U.; Müller, Th.; Plagge, M.; Quast, G.; Rabbertz, K.; Schröder, M.; Shvetsov, I.; Sieber, G.; Simonis, H. J.; Ulrich, R.; Wayand, S.; Weber, M.; Weiler, T.; Williamson, S.; Wöhrmann, C.; Wolf, R.; Anagnostou, G.; Daskalakis, G.; Geralis, T.; Kyriakis, A.; Loukas, D.; Topsis-Giotis, I.; Karathanasis, G.; Kesisoglou, S.; Panagiotou, A.; Saoulidou, N.; Kousouris, K.; Evangelou, I.; Foudas, C.; Gianneios, P.; Katsoulis, P.; Kokkas, P.; Mallios, S.; Manthos, N.; Papadopoulos, I.; Paradas, E.; Strologas, J.; Triantis, F. A.; Tsitsonis, D.; Csanad, M.; Filipovic, N.; Pasztor, G.; Surányi, O.; Veres, G. I.; Bencze, G.; Hajdu, C.; Horvath, D.; Hunyadi, Á.; Sikler, F.; Veszpremi, V.; Beni, N.; Czellar, S.; Karancsi, J.; Makovec, A.; Molnar, J.; Szillasi, Z.; Bartók, M.; Raics, P.; Trocsanyi, Z. L.; Ujvari, B.; Choudhury, S.; Komaragiri, J. R.; Bahinipati, S.; Bhowmik, S.; Mal, P.; Mandal, K.; Nayak, A.; Sahoo, D. K.; Sahoo, N.; Swain, S. K.; Bansal, S.; Beri, S. B.; Bhatnagar, V.; Chawla, R.; Dhingra, N.; Kalsi, A. K.; Kaur, A.; Kaur, M.; Kaur, S.; Kumar, R.; Kumari, P.; Mehta, A.; Singh, J. B.; Walia, G.; Kumar, Ashok; Shah, Aashaq; Bhardwaj, A.; Chauhan, S.; Choudhary, B. C.; Garg, R. B.; Keshri, S.; Kumar, A.; Malhotra, S.; Naimuddin, M.; Ranjan, K.; Sharma, R.; Bhardwaj, R.; Bhattacharya, R.; Bhattacharya, S.; Bhawandeep, U.; Dey, S.; Dutt, S.; Dutta, S.; Ghosh, S.; Majumdar, N.; Modak, A.; Mondal, K.; Mukhopadhyay, S.; Nandan, S.; Purohit, A.; Roy, A.; Chowdhury, S. Roy; Sarkar, S.; Sharan, M.; Thakur, S.; Behera, P. K.; Chudasama, R.; Dutta, D.; Jha, V.; Kumar, V.; Mohanty, A. 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P.; Ford, W. T.; Jensen, F.; Johnson, A.; Krohn, M.; Leontsinis, S.; Mulholland, T.; Stenson, K.; Wagner, S. R.; Alexander, J.; Chaves, J.; Chu, J.; Dittmer, S.; Mcdermott, K.; Mirman, N.; Patterson, J. R.; Quach, D.; Rinkevicius, A.; Ryd, A.; Skinnari, L.; Soffi, L.; Tan, S. M.; Tao, Z.; Thom, J.; Tucker, J.; Wittich, P.; Zientek, M.; Abdullin, S.; Albrow, M.; Alyari, M.; Apollinari, G.; Apresyan, A.; Apyan, A.; Banerjee, S.; Bauerdick, L. A. T.; Beretvas, A.; Berryhill, J.; Bhat, P. C.; Bolla, G.; Burkett, K.; Butler, J. N.; Canepa, A.; Cerati, G. B.; Cheung, H. W. K.; Chlebana, F.; Cremonesi, M.; Duarte, J.; Elvira, V. D.; Freeman, J.; Gecse, Z.; Gottschalk, E.; Gray, L.; Green, D.; Grünendahl, S.; Gutsche, O.; Harris, R. M.; Hasegawa, S.; Hirschauer, J.; Hu, Z.; Jayatilaka, B.; Jindariani, S.; Johnson, M.; Joshi, U.; Klima, B.; Kreis, B.; Lammel, S.; Lincoln, D.; Lipton, R.; Liu, M.; Liu, T.; Lopes De Sá, R.; Lykken, J.; Maeshima, K.; Magini, N.; Marraffino, J. M.; Mason, D.; McBride, P.; Merkel, P.; Mrenna, S.; Nahn, S.; O'Dell, V.; Pedro, K.; Prokofyev, O.; Rakness, G.; Ristori, L.; Schneider, B.; Sexton-Kennedy, E.; Soha, A.; Spalding, W. J.; Spiegel, L.; Stoynev, S.; Strait, J.; Strobbe, N.; Taylor, L.; Tkaczyk, S.; Tran, N. V.; Uplegger, L.; Vaandering, E. W.; Vernieri, C.; Verzocchi, M.; Vidal, R.; Wang, M.; Weber, H. A.; Whitbeck, A.; Acosta, D.; Avery, P.; Bortignon, P.; Bourilkov, D.; Brinkerhoff, A.; Carnes, A.; Carver, M.; Curry, D.; Field, R. D.; Furic, I. K.; Gleyzer, S. V.; Joshi, B. M.; Konigsberg, J.; Korytov, A.; Kotov, K.; Ma, P.; Matchev, K.; Mei, H.; Mitselmakher, G.; Shi, K.; Sperka, D.; Terentyev, N.; Thomas, L.; Wang, J.; Wang, S.; Yelton, J.; Joshi, Y. R.; Linn, S.; Markowitz, P.; Rodriguez, J. L.; Ackert, A.; Adams, T.; Askew, A.; Hagopian, S.; Hagopian, V.; Johnson, K. F.; Kolberg, T.; Martinez, G.; Perry, T.; Prosper, H.; Saha, A.; Santra, A.; Sharma, V.; Yohay, R.; Baarmand, M. M.; Bhopatkar, V.; Colafranceschi, S.; Hohlmann, M.; Noonan, D.; Roy, T.; Yumiceva, F.; Adams, M. R.; Apanasevich, L.; Berry, D.; Betts, R. R.; Cavanaugh, R.; Chen, X.; Evdokimov, O.; Gerber, C. E.; Hangal, D. A.; Hofman, D. J.; Jung, K.; Kamin, J.; Sandoval Gonzalez, I. D.; Tonjes, M. B.; Trauger, H.; Varelas, N.; Wang, H.; Wu, Z.; Zhang, J.; Bilki, B.; Clarida, W.; Dilsiz, K.; Durgut, S.; Gandrajula, R. P.; Haytmyradov, M.; Khristenko, V.; Merlo, J.-P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Ogul, H.; Onel, Y.; Ozok, F.; Penzo, A.; Snyder, C.; Tiras, E.; Wetzel, J.; Yi, K.; Blumenfeld, B.; Cocoros, A.; Eminizer, N.; Fehling, D.; Feng, L.; Gritsan, A. V.; Maksimovic, P.; Roskes, J.; Sarica, U.; Swartz, M.; Xiao, M.; You, C.; Al-bataineh, A.; Baringer, P.; Bean, A.; Boren, S.; Bowen, J.; Castle, J.; Khalil, S.; Kropivnitskaya, A.; Majumder, D.; Mcbrayer, W.; Murray, M.; Royon, C.; Sanders, S.; Schmitz, E.; Tapia Takaki, J. D.; Wang, Q.; Ivanov, A.; Kaadze, K.; Maravin, Y.; Mohammadi, A.; Saini, L. K.; Skhirtladze, N.; Toda, S.; Rebassoo, F.; Wright, D.; Anelli, C.; Baden, A.; Baron, O.; Belloni, A.; Eno, S. C.; Feng, Y.; Ferraioli, C.; Hadley, N. J.; Jabeen, S.; Jeng, G. Y.; Kellogg, R. G.; Kunkle, J.; Mignerey, A. C.; Ricci-Tam, F.; Shin, Y. H.; Skuja, A.; Tonwar, S. C.; Abercrombie, D.; Allen, B.; Azzolini, V.; Barbieri, R.; Baty, A.; Bi, R.; Brandt, S.; Busza, W.; Cali, I. A.; D'Alfonso, M.; Demiragli, Z.; Gomez Ceballos, G.; Goncharov, M.; Hsu, D.; Hu, M.; Iiyama, Y.; Innocenti, G. M.; Klute, M.; Kovalskyi, D.; Lee, Y.-J.; Levin, A.; Luckey, P. D.; Maier, B.; Marini, A. C.; Mcginn, C.; Mironov, C.; Narayanan, S.; Niu, X.; Paus, C.; Roland, C.; Roland, G.; Salfeld-Nebgen, J.; Stephans, G. S. F.; Tatar, K.; Velicanu, D.; Wang, J.; Wang, T. W.; Wyslouch, B.; Benvenuti, A. C.; Chatterjee, R. M.; Evans, A.; Hansen, P.; Hiltbrand, J.; Kalafut, S.; Kubota, Y.; Lesko, Z.; Mans, J.; Nourbakhsh, S.; Ruckstuhl, N.; Rusack, R.; Turkewitz, J.; Wadud, M. A.; Acosta, J. G.; Oliveros, S.; Avdeeva, E.; Bloom, K.; Claes, D. R.; Fangmeier, C.; Gonzalez Suarez, R.; Kamalieddin, R.; Kravchenko, I.; Monroy, J.; Siado, J. E.; Snow, G. R.; Stieger, B.; Dolen, J.; Godshalk, A.; Harrington, C.; Iashvili, I.; Nguyen, D.; Parker, A.; Rappoccio, S.; Roozbahani, B.; Alverson, G.; Barberis, E.; Freer, C.; Hortiangtham, A.; Massironi, A.; Morse, D. M.; Orimoto, T.; Teixeira De Lima, R.; Trocino, D.; Wamorkar, T.; Wang, B.; Wisecarver, A.; Wood, D.; Bhattacharya, S.; Charaf, O.; Hahn, K. A.; Mucia, N.; Odell, N.; Schmitt, M. H.; Sung, K.; Trovato, M.; Velasco, M.; Bucci, R.; Dev, N.; Hildreth, M.; Hurtado Anampa, K.; Jessop, C.; Karmgard, D. J.; Kellams, N.; Lannon, K.; Li, W.; Loukas, N.; Marinelli, N.; Meng, F.; Mueller, C.; Musienko, Y.; Planer, M.; Reinsvold, A.; Ruchti, R.; Siddireddy, P.; Smith, G.; Taroni, S.; Wayne, M.; Wightman, A.; Wolf, M.; Woodard, A.; Alimena, J.; Antonelli, L.; Bylsma, B.; Durkin, L. S.; Flowers, S.; Francis, B.; Hart, A.; Hill, C.; Ji, W.; Liu, B.; Luo, W.; Winer, B. L.; Wulsin, H. W.; Cooperstein, S.; Driga, O.; Elmer, P.; Hardenbrook, J.; Hebda, P.; Higginbotham, S.; Kalogeropoulos, A.; Lange, D.; Luo, J.; Marlow, D.; Mei, K.; Ojalvo, I.; Olsen, J.; Palmer, C.; Piroué, P.; Stickland, D.; Tully, C.; Malik, S.; Norberg, S.; Barker, A.; Barnes, V. E.; Das, S.; Folgueras, S.; Gutay, L.; Jha, M. K.; Jones, M.; Jung, A. W.; Khatiwada, A.; Miller, D. H.; Neumeister, N.; Peng, C. C.; Qiu, H.; Schulte, J. F.; Sun, J.; Wang, F.; Xiao, R.; Xie, W.; Cheng, T.; Parashar, N.; Stupak, J.; Chen, Z.; Ecklund, K. M.; Freed, S.; Geurts, F. J. M.; Guilbaud, M.; Kilpatrick, M.; Li, W.; Michlin, B.; Padley, B. P.; Roberts, J.; Rorie, J.; Shi, W.; Tu, Z.; Zabel, J.; Zhang, A.; Bodek, A.; de Barbaro, P.; Demina, R.; Duh, Y. t.; Ferbel, T.; Galanti, M.; Garcia-Bellido, A.; Han, J.; Hindrichs, O.; Khukhunaishvili, A.; Lo, K. H.; Tan, P.; Verzetti, M.; Ciesielski, R.; Goulianos, K.; Mesropian, C.; Agapitos, A.; Chou, J. P.; Gershtein, Y.; Gómez Espinosa, T. A.; Halkiadakis, E.; Heindl, M.; Hughes, E.; Kaplan, S.; Kunnawalkam Elayavalli, R.; Kyriacou, S.; Lath, A.; Montalvo, R.; Nash, K.; Osherson, M.; Saka, H.; Salur, S.; Schnetzer, S.; Sheffield, D.; Somalwar, S.; Stone, R.; Thomas, S.; Thomassen, P.; Walker, M.; Delannoy, A. G.; Foerster, M.; Heideman, J.; Riley, G.; Rose, K.; Spanier, S.; Thapa, K.; Bouhali, O.; Castaneda Hernandez, A.; Celik, A.; Dalchenko, M.; De Mattia, M.; Delgado, A.; Dildick, S.; Eusebi, R.; Gilmore, J.; Huang, T.; Kamon, T.; Mueller, R.; Pakhotin, Y.; Patel, R.; Perloff, A.; Perniè, L.; Rathjens, D.; Safonov, A.; Tatarinov, A.; Ulmer, K. A.; Akchurin, N.; Damgov, J.; De Guio, F.; Dudero, P. R.; Faulkner, J.; Gurpinar, E.; Kunori, S.; Lamichhane, K.; Lee, S. W.; Libeiro, T.; Mengke, T.; Muthumuni, S.; Peltola, T.; Undleeb, S.; Volobouev, I.; Wang, Z.; Greene, S.; Gurrola, A.; Janjam, R.; Johns, W.; Maguire, C.; Melo, A.; Ni, H.; Padeken, K.; Sheldon, P.; Tuo, S.; Velkovska, J.; Xu, Q.; Arenton, M. W.; Barria, P.; Cox, B.; Hirosky, R.; Joyce, M.; Ledovskoy, A.; Li, H.; Neu, C.; Sinthuprasith, T.; Wang, Y.; Wolfe, E.; Xia, F.; Harr, R.; Karchin, P. E.; Poudyal, N.; Sturdy, J.; Thapa, P.; Zaleski, S.; Brodski, M.; Buchanan, J.; Caillol, C.; Dasu, S.; Dodd, L.; Duric, S.; Gomber, B.; Grothe, M.; Herndon, M.; Hervé, A.; Hussain, U.; Klabbers, P.; Lanaro, A.; Levine, A.; Long, K.; Loveless, R.; Ruggles, T.; Savin, A.; Smith, N.; Smith, W. H.; Taylor, D.; Woods, N.

    2018-05-01

    Many measurements and searches for physics beyond the standard model at the LHC rely on the efficient identification of heavy-flavour jets, i.e. jets originating from bottom or charm quarks. In this paper, the discriminating variables and the algorithms used for heavy-flavour jet identification during the first years of operation of the CMS experiment in proton-proton collisions at a centre-of-mass energy of 13 TeV, are presented. Heavy-flavour jet identification algorithms have been improved compared to those used previously at centre-of-mass energies of 7 and 8 TeV. For jets with transverse momenta in the range expected in simulated bar t events, these new developments result in an efficiency of 68% for the correct identification of a b jet for a probability of 1% of misidentifying a light-flavour jet. The improvement in relative efficiency at this misidentification probability is about 15%, compared to previous CMS algorithms. In addition, for the first time algorithms have been developed to identify jets containing two b hadrons in Lorentz-boosted event topologies, as well as to tag c jets. The large data sample recorded in 2016 at a centre-of-mass energy of 13 TeV has also allowed the development of new methods to measure the efficiency and misidentification probability of heavy-flavour jet identification algorithms. The b jet identification efficiency is measured with a precision of a few per cent at moderate jet transverse momenta (between 30 and 300 GeV) and about 5% at the highest jet transverse momenta (between 500 and 1000 GeV).

  20. 77 FR 49443 - Decision and Order Granting a Waiver to Sanyo From the Department of Energy Residential...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-08-16

    ... DEPARTMENT OF ENERGY Office of Energy Efficiency and Renewable Energy [Case No. RF-022] Decision... Refrigerator-Freezer Test Procedures AGENCY: Office of Energy Efficiency and Renewable Energy, Department of... characteristics. The Assistant Secretary for Energy Efficiency and Renewable Energy (the Assistant Secretary) may...

  1. Data-Driven Benchmarking of Building Energy Efficiency Utilizing Statistical Frontier Models

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

    Kavousian, A; Rajagopal, R

    2014-01-01

    Frontier methods quantify the energy efficiency of buildings by forming an efficient frontier (best-practice technology) and by comparing all buildings against that frontier. Because energy consumption fluctuates over time, the efficiency scores are stochastic random variables. Existing applications of frontier methods in energy efficiency either treat efficiency scores as deterministic values or estimate their uncertainty by resampling from one set of measurements. Availability of smart meter data (repeated measurements of energy consumption of buildings) enables using actual data to estimate the uncertainty in efficiency scores. Additionally, existing applications assume a linear form for an efficient frontier; i.e.,they assume that themore » best-practice technology scales up and down proportionally with building characteristics. However, previous research shows that buildings are nonlinear systems. This paper proposes a statistical method called stochastic energy efficiency frontier (SEEF) to estimate a bias-corrected efficiency score and its confidence intervals from measured data. The paper proposes an algorithm to specify the functional form of the frontier, identify the probability distribution of the efficiency score of each building using measured data, and rank buildings based on their energy efficiency. To illustrate the power of SEEF, this paper presents the results from applying SEEF on a smart meter data set of 307 residential buildings in the United States. SEEF efficiency scores are used to rank individual buildings based on energy efficiency, to compare subpopulations of buildings, and to identify irregular behavior of buildings across different time-of-use periods. SEEF is an improvement to the energy-intensity method (comparing kWh/sq.ft.): whereas SEEF identifies efficient buildings across the entire spectrum of building sizes, the energy-intensity method showed bias toward smaller buildings. The results of this research are expected to assist researchers and practitioners compare and rank (i.e.,benchmark) buildings more robustly and over a wider range of building types and sizes. Eventually, doing so is expected to result in improved resource allocation in energy-efficiency programs.« less

  2. 48 CFR 23.206 - Contract clause.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... PROGRAMS ENVIRONMENT, ENERGY AND WATER EFFICIENCY, RENEWABLE ENERGY TECHNOLOGIES, OCCUPATIONAL SAFETY, AND DRUG-FREE WORKPLACE Energy and Water Efficiency and Renewable Energy 23.206 Contract clause. Unless exempt pursuant to 23.204, insert the clause at 52.223-15, Energy Efficiency in Energy-Consuming Products...

  3. 48 CFR 23.206 - Contract clause.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... PROGRAMS ENVIRONMENT, ENERGY AND WATER EFFICIENCY, RENEWABLE ENERGY TECHNOLOGIES, OCCUPATIONAL SAFETY, AND DRUG-FREE WORKPLACE Energy and Water Efficiency and Renewable Energy 23.206 Contract clause. Unless exempt pursuant to 23.204, insert the clause at 52.223-15, Energy Efficiency in Energy-Consuming Products...

  4. 48 CFR 23.206 - Contract clause.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... PROGRAMS ENVIRONMENT, ENERGY AND WATER EFFICIENCY, RENEWABLE ENERGY TECHNOLOGIES, OCCUPATIONAL SAFETY, AND DRUG-FREE WORKPLACE Energy and Water Efficiency and Renewable Energy 23.206 Contract clause. Unless exempt pursuant to 23.204, insert the clause at 52.223-15, Energy Efficiency in Energy-Consuming Products...

  5. 48 CFR 23.206 - Contract clause.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... PROGRAMS ENVIRONMENT, ENERGY AND WATER EFFICIENCY, RENEWABLE ENERGY TECHNOLOGIES, OCCUPATIONAL SAFETY, AND DRUG-FREE WORKPLACE Energy and Water Efficiency and Renewable Energy 23.206 Contract clause. Unless exempt pursuant to 23.204, insert the clause at 52.223-15, Energy Efficiency in Energy-Consuming Products...

  6. 48 CFR 23.206 - Contract clause.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... PROGRAMS ENVIRONMENT, ENERGY AND WATER EFFICIENCY, RENEWABLE ENERGY TECHNOLOGIES, OCCUPATIONAL SAFETY, AND DRUG-FREE WORKPLACE Energy and Water Efficiency and Renewable Energy 23.206 Contract clause. Unless exempt pursuant to 23.204, insert the clause at 52.223-15, Energy Efficiency in Energy-Consuming Products...

  7. 78 FR 48865 - Nationwide Categorical Waivers Under the American Recovery and Reinvestment Act of 2009 (Recovery...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-08-12

    ... DEPARTMENT OF ENERGY Office of Energy Efficiency and Renewable Energy Nationwide Categorical... Efficiency and Renewable Energy, U.S. Department of Energy (DOE). ACTION: Notice of Amended Limited Waivers... CONTACT: Christine Platt-Patrick, Office of Energy Efficiency and Renewable Energy (EERE), (202) 586-7691...

  8. 76 FR 43654 - Renewable Energy and Energy Efficiency Executive Business Development Mission

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-07-21

    ... geothermal energy capacity by 2023 (100th year anniversary of the Turkish Republic). Turkey plans to have 5... DEPARTMENT OF COMMERCE International Trade Administration Renewable Energy and Energy Efficiency... Commercial Service (CS) is organizing a Renewable Energy and Energy Efficiency Trade Mission to Turkey on...

  9. 10 CFR 431.20 - Department of Energy recognition of nationally recognized certification programs.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... certification programs. 431.20 Section 431.20 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY... Incorporated and Methods of Determining Efficiency § 431.20 Department of Energy recognition of nationally... similar procedures and methodologies for determining the energy efficiency of electric motors. It must...

  10. Sewage sludge solubilization by high-pressure homogenization.

    PubMed

    Zhang, Yuxuan; Zhang, Panyue; Guo, Jianbin; Ma, Weifang; Fang, Wei; Ma, Boqiang; Xu, Xiangzhe

    2013-01-01

    The behavior of sludge solubilization using high-pressure homogenization (HPH) treatment was examined by investigating the sludge solid reduction and organics solubilization. The sludge volatile suspended solids (VSS) decreased from 10.58 to 6.67 g/L for the sludge sample with a total solids content (TS) of 1.49% after HPH treatment at a homogenization pressure of 80 MPa with four homogenization cycles; total suspended solids (TSS) correspondingly decreased from 14.26 to 9.91 g/L. About 86.15% of the TSS reduction was attributed to the VSS reduction. The increase of homogenization pressure from 20 to 80 MPa or homogenization cycle number from 1 to 4 was favorable to the sludge organics solubilization, and the protein and polysaccharide solubilization linearly increased with the soluble chemical oxygen demand (SCOD) solubilization. More proteins were solubilized than polysaccharides. The linear relationship between SCOD solubilization and VSS reduction had no significant change under different homogenization pressures, homogenization cycles and sludge solid contents. The SCOD of 1.65 g/L was solubilized for the VSS reduction of 1.00 g/L for the three experimental sludge samples with a TS of 1.00, 1.49 and 2.48% under all HPH operating conditions. The energy efficiency results showed that the HPH treatment at a homogenization pressure of 30 MPa with a single homogenization cycle for the sludge sample with a TS of 2.48% was the most energy efficient.

  11. Barriers to Industrial Energy Efficiency - Report to Congress, June 2015

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

    None

    2015-06-01

    This report examines barriers that impede the adoption of energy efficient technologies and practices in the industrial sector, and identifies successful examples and opportunities to overcome these barriers. Three groups of energy efficiency technologies and measures were examined: industrial end-use energy efficiency, industrial demand response, and industrial combined heat and power. This report also includes the estimated economic benefits from hypothetical Federal energy efficiency matching grants, as directed by the Act.

  12. The role of intramolecular nonbonded interaction and angle sampling in single-step free energy perturbation

    NASA Astrophysics Data System (ADS)

    Chiang, Ying-Chih; Pang, Yui Tik; Wang, Yi

    2016-12-01

    Single-step free energy perturbation (sFEP) has often been proposed as an efficient tool for a quick free energy scan due to its straightforward protocol and the ability to recycle an existing molecular dynamics trajectory for free energy calculations. Although sFEP is expected to fail when the sampling of a system is inefficient, it is often expected to hold for an alchemical transformation between ligands with a moderate difference in their sizes, e.g., transforming a benzene into an ethylbenzene. Yet, exceptions were observed in calculations for anisole and methylaniline, which have similar physical sizes as ethylbenzene. In this study, we show that such exceptions arise from the sampling inefficiency on an unexpected rigid degree of freedom, namely, the bond angle θ. The distributions of θ differ dramatically between two end states of a sFEP calculation, i.e., the conformation of the ligand changes significantly during the alchemical transformation process. Our investigation also reveals the interrelation between the ligand conformation and the intramolecular nonbonded interactions. This knowledge suggests a best combination of the ghost ligand potential and the dual topology setting, which improves the accuracy in a single reference sFEP calculation by bringing down its error from around 5kBT to kBT.

  13. Development of new methodologies for evaluating the energy performance of new commercial buildings

    NASA Astrophysics Data System (ADS)

    Song, Suwon

    The concept of Measurement and Verification (M&V) of a new building continues to become more important because efficient design alone is often not sufficient to deliver an efficient building. Simulation models that are calibrated to measured data can be used to evaluate the energy performance of new buildings if they are compared to energy baselines such as similar buildings, energy codes, and design standards. Unfortunately, there is a lack of detailed M&V methods and analysis methods to measure energy savings from new buildings that would have hypothetical energy baselines. Therefore, this study developed and demonstrated several new methodologies for evaluating the energy performance of new commercial buildings using a case-study building in Austin, Texas. First, three new M&V methods were developed to enhance the previous generic M&V framework for new buildings, including: (1) The development of a method to synthesize weather-normalized cooling energy use from a correlation of Motor Control Center (MCC) electricity use when chilled water use is unavailable, (2) The development of an improved method to analyze measured solar transmittance against incidence angle for sample glazing using different solar sensor types, including Eppley PSP and Li-Cor sensors, and (3) The development of an improved method to analyze chiller efficiency and operation at part-load conditions. Second, three new calibration methods were developed and analyzed, including: (1) A new percentile analysis added to the previous signature method for use with a DOE-2 calibration, (2) A new analysis to account for undocumented exhaust air in DOE-2 calibration, and (3) An analysis of the impact of synthesized direct normal solar radiation using the Erbs correlation on DOE-2 simulation. Third, an analysis of the actual energy savings compared to three different energy baselines was performed, including: (1) Energy Use Index (EUI) comparisons with sub-metered data, (2) New comparisons against Standards 90.1-1989 and 90.1-2001, and (3) A new evaluation of the performance of selected Energy Conservation Design Measures (ECDMs). Finally, potential energy savings were also simulated from selected improvements, including: minimum supply air flow, undocumented exhaust air, and daylighting.

  14. Computing Curvature Sensitivity of Biomolecules in Membranes by Simulated Buckling.

    PubMed

    Elías-Wolff, Federico; Lindén, Martin; Lyubartsev, Alexander P; Brandt, Erik G

    2018-03-13

    Membrane curvature sensing, where the binding free energies of membrane-associated molecules depend on the local membrane curvature, is a key factor to modulate and maintain the shape and organization of cell membranes. However, the microscopic mechanisms are not well understood, partly due to absence of efficient simulation methods. Here, we describe a method to compute the curvature dependence of the binding free energy of a membrane-associated probe molecule that interacts with a buckled membrane, which has been created by lateral compression of a flat bilayer patch. This buckling approach samples a wide range of curvatures in a single simulation, and anisotropic effects can be extracted from the orientation statistics. We develop an efficient and robust algorithm to extract the motion of the probe along the buckled membrane surface, and evaluate its numerical properties by extensive sampling of three coarse-grained model systems: local lipid density in a curved environment for single-component bilayers, curvature preferences of individual lipids in two-component membranes, and curvature sensing by a homotrimeric transmembrane protein. The method can be used to complement experimental data from curvature partition assays and provides additional insight into mesoscopic theories and molecular mechanisms for curvature sensing.

  15. Exploring the free energy surface using ab initio molecular dynamics

    NASA Astrophysics Data System (ADS)

    Samanta, Amit; Morales, Miguel A.; Schwegler, Eric

    2016-04-01

    Efficient exploration of configuration space and identification of metastable structures in condensed phase systems are challenging from both computational and algorithmic perspectives. In this regard, schemes that utilize a set of pre-defined order parameters to sample the relevant parts of the configuration space [L. Maragliano and E. Vanden-Eijnden, Chem. Phys. Lett. 426, 168 (2006); J. B. Abrams and M. E. Tuckerman, J. Phys. Chem. B 112, 15742 (2008)] have proved useful. Here, we demonstrate how these order-parameter aided temperature accelerated sampling schemes can be used within the Born-Oppenheimer and the Car-Parrinello frameworks of ab initio molecular dynamics to efficiently and systematically explore free energy surfaces, and search for metastable states and reaction pathways. We have used these methods to identify the metastable structures and reaction pathways in SiO2 and Ti. In addition, we have used the string method [W. E, W. Ren, and E. Vanden-Eijnden, Phys. Rev. B 66, 052301 (2002); L. Maragliano et al., J. Chem. Phys. 125, 024106 (2006)] within the density functional theory to study the melting pathways in the high pressure cotunnite phase of SiO2 and the hexagonal closed packed to face centered cubic phase transition in Ti.

  16. Multiscale Molecular Dynamics Simulations of Beta-Amyloid Interactions with Neurons

    NASA Astrophysics Data System (ADS)

    Qiu, Liming; Vaughn, Mark; Cheng, Kelvin

    2012-10-01

    Early events of human beta-amyloid protein interactions with cholesterol-containing membranes are critical to understanding the pathogenesis of Alzheimer's disease (AD) and to exploring new therapeutic interventions of AD. Atomistic molecular dynamics (AMD) simulations have been extensively used to study the protein-lipid interaction at high atomic resolutions. However, traditional MD simulations are not efficient in sampling the phase space of complex lipid/protein systems with rugged free energy landscapes. Meanwhile, coarse-grained MD (CGD) simulations are efficient in the phase space sampling but suffered from low spatial resolutions and from the fact that the energy landscapes are not identical to those of the AMD. Here, a multiscale approach was employed to simulate the protein-lipid interactions of beta-amyloid upon its release from proteolysis residing in the neuronal membranes. We utilized a forward (AMD to CGD) and reverse (CGD-AMD) strategy to explore new transmembrane and surface protein configuration and evaluate the stabilization mechanisms by measuring the residue-specific protein-lipid or protein conformations. The detailed molecular interactions revealed in this multiscale MD approach will provide new insights into understanding the early molecular events leading to the pathogenesis of AD.

  17. Computationally efficient characterization of potential energy surfaces based on fingerprint distances

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

    Schaefer, Bastian; Goedecker, Stefan, E-mail: stefan.goedecker@unibas.ch

    2016-07-21

    An analysis of the network defined by the potential energy minima of multi-atomic systems and their connectivity via reaction pathways that go through transition states allows us to understand important characteristics like thermodynamic, dynamic, and structural properties. Unfortunately computing the transition states and reaction pathways in addition to the significant energetically low-lying local minima is a computationally demanding task. We here introduce a computationally efficient method that is based on a combination of the minima hopping global optimization method and the insight that uphill barriers tend to increase with increasing structural distances of the educt and product states. This methodmore » allows us to replace the exact connectivity information and transition state energies with alternative and approximate concepts. Without adding any significant additional cost to the minima hopping global optimization approach, this method allows us to generate an approximate network of the minima, their connectivity, and a rough measure for the energy needed for their interconversion. This can be used to obtain a first qualitative idea on important physical and chemical properties by means of a disconnectivity graph analysis. Besides the physical insight obtained by such an analysis, the gained knowledge can be used to make a decision if it is worthwhile or not to invest computational resources for an exact computation of the transition states and the reaction pathways. Furthermore it is demonstrated that the here presented method can be used for finding physically reasonable interconversion pathways that are promising input pathways for methods like transition path sampling or discrete path sampling.« less

  18. Bennett's acceptance ratio and histogram analysis methods enhanced by umbrella sampling along a reaction coordinate in configurational space.

    PubMed

    Kim, Ilsoo; Allen, Toby W

    2012-04-28

    Free energy perturbation, a method for computing the free energy difference between two states, is often combined with non-Boltzmann biased sampling techniques in order to accelerate the convergence of free energy calculations. Here we present a new extension of the Bennett acceptance ratio (BAR) method by combining it with umbrella sampling (US) along a reaction coordinate in configurational space. In this approach, which we call Bennett acceptance ratio with umbrella sampling (BAR-US), the conditional histogram of energy difference (a mapping of the 3N-dimensional configurational space via a reaction coordinate onto 1D energy difference space) is weighted for marginalization with the associated population density along a reaction coordinate computed by US. This procedure produces marginal histograms of energy difference, from forward and backward simulations, with higher overlap in energy difference space, rendering free energy difference estimations using BAR statistically more reliable. In addition to BAR-US, two histogram analysis methods, termed Bennett overlapping histograms with US (BOH-US) and Bennett-Hummer (linear) least square with US (BHLS-US), are employed as consistency and convergence checks for free energy difference estimation by BAR-US. The proposed methods (BAR-US, BOH-US, and BHLS-US) are applied to a 1-dimensional asymmetric model potential, as has been used previously to test free energy calculations from non-equilibrium processes. We then consider the more stringent test of a 1-dimensional strongly (but linearly) shifted harmonic oscillator, which exhibits no overlap between two states when sampled using unbiased Brownian dynamics. We find that the efficiency of the proposed methods is enhanced over the original Bennett's methods (BAR, BOH, and BHLS) through fast uniform sampling of energy difference space via US in configurational space. We apply the proposed methods to the calculation of the electrostatic contribution to the absolute solvation free energy (excess chemical potential) of water. We then address the controversial issue of ion selectivity in the K(+) ion channel, KcsA. We have calculated the relative binding affinity of K(+) over Na(+) within a binding site of the KcsA channel for which different, though adjacent, K(+) and Na(+) configurations exist, ideally suited to these US-enhanced methods. Our studies demonstrate that the significant improvements in free energy calculations obtained using the proposed methods can have serious consequences for elucidating biological mechanisms and for the interpretation of experimental data.

  19. 77 FR 54777 - Accelerating Investment in Industrial Energy Efficiency

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-09-05

    ...--Accelerating Investment in Industrial Energy Efficiency Executive Order 13625--Improving Access to Mental... Accelerating Investment in Industrial Energy Efficiency By the authority vested in me as President by the... helping to facilitate investments in energy efficiency at industrial facilities, it is hereby ordered as...

  20. 77 FR 15362 - Efficiency and Renewables Advisory Committee (ERAC)

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-03-15

    ... DEPARTMENT OF ENERGY Efficiency and Renewables Advisory Committee (ERAC) AGENCY: Office of Energy Efficiency and Renewable Energy, Department of Energy ACTION: Notice of open meeting. SUMMARY: This notice announces an open meeting of the Efficiency and Renewables Advisory Committee (ERAC). The Federal Advisory...

  1. 77 FR 18798 - Efficiency and Renewables Advisory Committee (ERAC); Correction

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-03-28

    ... DEPARTMENT OF ENERGY Efficiency and Renewables Advisory Committee (ERAC); Correction AGENCY: Office of Energy Efficiency and Renewable Energy, Department of Energy. ACTION: Notice of open meeting... announcing an open meeting of the Efficiency and Renewables Advisory Committee (ERAC). The meeting date has...

  2. The UK-DALE dataset, domestic appliance-level electricity demand and whole-house demand from five UK homes.

    PubMed

    Kelly, Jack; Knottenbelt, William

    2015-01-01

    Many countries are rolling out smart electricity meters. These measure a home's total power demand. However, research into consumer behaviour suggests that consumers are best able to improve their energy efficiency when provided with itemised, appliance-by-appliance consumption information. Energy disaggregation is a computational technique for estimating appliance-by-appliance energy consumption from a whole-house meter signal. To conduct research on disaggregation algorithms, researchers require data describing not just the aggregate demand per building but also the 'ground truth' demand of individual appliances. In this context, we present UK-DALE: an open-access dataset from the UK recording Domestic Appliance-Level Electricity at a sample rate of 16 kHz for the whole-house and at 1/6 Hz for individual appliances. This is the first open access UK dataset at this temporal resolution. We recorded from five houses, one of which was recorded for 655 days, the longest duration we are aware of for any energy dataset at this sample rate. We also describe the low-cost, open-source, wireless system we built for collecting our dataset.

  3. Efficient 41Ca measurements for biomedical applications

    NASA Astrophysics Data System (ADS)

    Vockenhuber, C.; Schulze-König, T.; Synal, H.-A.; Aeberli, I.; Zimmermann, M. B.

    2015-10-01

    We present the performance of 41Ca measurements using low-energy Accelerator Mass Spectrometry (AMS) at the 500 kV facility TANDY at ETH Zurich. We optimized the measurement procedure for biomedical applications where reliability and high sample throughput is required. The main challenge for AMS measurements of 41Ca is the interfering stable isobar 41K. We use a simplified sample preparation procedure to produce calcium fluoride (CaF2) and extract calcium tri-fluoride ions (CaF3-) ions to suppress the stable isobar 41K. Although 41K is not completely suppressed we reach 41Ca/40Ca background level in the 10-12 range which is adequate for biomedical studies. With helium as a stripper gas we can use charge state 2+ at high transmission (∼50%). The new measurement procedure with the approximately 10 × improved efficiency and the higher accuracy due to 41K correction allowed us to measure more than 600 samples for a large biomedical study within only a few weeks of measurement time.

  4. MultiNest: Efficient and Robust Bayesian Inference

    NASA Astrophysics Data System (ADS)

    Feroz, F.; Hobson, M. P.; Bridges, M.

    2011-09-01

    We present further development and the first public release of our multimodal nested sampling algorithm, called MultiNest. This Bayesian inference tool calculates the evidence, with an associated error estimate, and produces posterior samples from distributions that may contain multiple modes and pronounced (curving) degeneracies in high dimensions. The developments presented here lead to further substantial improvements in sampling efficiency and robustness, as compared to the original algorithm presented in Feroz & Hobson (2008), which itself significantly outperformed existing MCMC techniques in a wide range of astrophysical inference problems. The accuracy and economy of the MultiNest algorithm is demonstrated by application to two toy problems and to a cosmological inference problem focusing on the extension of the vanilla LambdaCDM model to include spatial curvature and a varying equation of state for dark energy. The MultiNest software is fully parallelized using MPI and includes an interface to CosmoMC. It will also be released as part of the SuperBayeS package, for the analysis of supersymmetric theories of particle physics, at this http URL.

  5. Measurements of Atomic Rayleigh Scattering Cross-Sections: A New Approach Based on Solid Angle Approximation and Geometrical Efficiency

    NASA Astrophysics Data System (ADS)

    Rao, D. V.; Takeda, T.; Itai, Y.; Akatsuka, T.; Seltzer, S. M.; Hubbell, J. H.; Cesareo, R.; Brunetti, A.; Gigante, G. E.

    Atomic Rayleigh scattering cross-sections for low, medium and high Z atoms are measured in vacuum using X-ray tube with a secondary target as an excitation source instead of radioisotopes. Monoenergetic Kα radiation emitted from the secondary target and monoenergetic radiation produced using two secondary targets with filters coupled to an X-ray tube are compared. The Kα radiation from the second target of the system is used to excite the sample. The background has been reduced considerably and the monochromacy is improved. Elastic scattering of Kα X-ray line energies of the secondary target by the sample is recorded with Hp Ge and Si (Li) detectors. A new approach is developed to estimate the solid angle approximation and geometrical efficiency for a system with experimental arrangement using X-ray tube and secondary target. The variation of the solid angle is studied by changing the radius and length of the collimators towards and away from the source and sample. From these values the variation of the total solid angle and geometrical efficiency is deduced and the optimum value is used for the experimental work. The efficiency is larger because the X-ray fluorescent source acts as a converter. Experimental results based on this system are compared with theoretical estimates and good agreement is observed in between them.

  6. 77 FR 1474 - Decision and Order Granting a Waiver to Samsung From the Department of Energy Residential...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-01-10

    ... DEPARTMENT OF ENERGY Office of Energy Efficiency and Renewable Energy [Case No. RF-018; Case No... Refrigerator and Refrigerator-Freezer Test Procedures AGENCY: Office of Energy Efficiency and Renewable Energy... characteristics. 10 CFR 430.27(b)(1)(iii). The Assistant Secretary for Energy Efficiency and Renewable Energy (the...

  7. 76 FR 17637 - Energy Conservation Program for Consumer Products: Decision and Order Granting a Waiver to Miele...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-03-30

    ... DEPARTMENT OF ENERGY Office of Energy Efficiency and Renewable Energy [Case No. CD-005] Energy... Efficiency and Renewable Energy, Department of Energy. ACTION: Decision and order. SUMMARY: The U.S... Efficiency and Renewable Energy. Decision and Order In the Matter of: Miele, Inc. (Case No. CD-005...

  8. Conformational free energy modeling of druglike molecules by metadynamics in the WHIM space.

    PubMed

    Spiwok, Vojtěch; Hlat-Glembová, Katarína; Tvaroška, Igor; Králová, Blanka

    2012-03-26

    Protein-ligand affinities can be significantly influenced not only by the interaction itself but also by conformational equilibrium of both binding partners, free ligand and free protein. Identification of important conformational families of a ligand and prediction of their thermodynamics is important for efficient ligand design. Here we report conformational free energy modeling of nine small-molecule drugs in explicitly modeled water by metadynamics with a bias potential applied in the space of weighted holistic invariant molecular (WHIM) descriptors. Application of metadynamics enhances conformational sampling compared to unbiased molecular dynamics simulation and allows to predict relative free energies of key conformations. Selected free energy minima and one example of transition state were tested by a series of unbiased molecular dynamics simulation. Comparison of free energy surfaces of free and target-bound Imatinib provides an estimate of free energy penalty of conformational change induced by its binding to the target. © 2012 American Chemical Society

  9. Gaussian Accelerated Molecular Dynamics in NAMD

    PubMed Central

    2016-01-01

    Gaussian accelerated molecular dynamics (GaMD) is a recently developed enhanced sampling technique that provides efficient free energy calculations of biomolecules. Like the previous accelerated molecular dynamics (aMD), GaMD allows for “unconstrained” enhanced sampling without the need to set predefined collective variables and so is useful for studying complex biomolecular conformational changes such as protein folding and ligand binding. Furthermore, because the boost potential is constructed using a harmonic function that follows Gaussian distribution in GaMD, cumulant expansion to the second order can be applied to recover the original free energy profiles of proteins and other large biomolecules, which solves a long-standing energetic reweighting problem of the previous aMD method. Taken together, GaMD offers major advantages for both unconstrained enhanced sampling and free energy calculations of large biomolecules. Here, we have implemented GaMD in the NAMD package on top of the existing aMD feature and validated it on three model systems: alanine dipeptide, the chignolin fast-folding protein, and the M3 muscarinic G protein-coupled receptor (GPCR). For alanine dipeptide, while conventional molecular dynamics (cMD) simulations performed for 30 ns are poorly converged, GaMD simulations of the same length yield free energy profiles that agree quantitatively with those of 1000 ns cMD simulation. Further GaMD simulations have captured folding of the chignolin and binding of the acetylcholine (ACh) endogenous agonist to the M3 muscarinic receptor. The reweighted free energy profiles are used to characterize the protein folding and ligand binding pathways quantitatively. GaMD implemented in the scalable NAMD is widely applicable to enhanced sampling and free energy calculations of large biomolecules. PMID:28034310

  10. Gaussian Accelerated Molecular Dynamics in NAMD.

    PubMed

    Pang, Yui Tik; Miao, Yinglong; Wang, Yi; McCammon, J Andrew

    2017-01-10

    Gaussian accelerated molecular dynamics (GaMD) is a recently developed enhanced sampling technique that provides efficient free energy calculations of biomolecules. Like the previous accelerated molecular dynamics (aMD), GaMD allows for "unconstrained" enhanced sampling without the need to set predefined collective variables and so is useful for studying complex biomolecular conformational changes such as protein folding and ligand binding. Furthermore, because the boost potential is constructed using a harmonic function that follows Gaussian distribution in GaMD, cumulant expansion to the second order can be applied to recover the original free energy profiles of proteins and other large biomolecules, which solves a long-standing energetic reweighting problem of the previous aMD method. Taken together, GaMD offers major advantages for both unconstrained enhanced sampling and free energy calculations of large biomolecules. Here, we have implemented GaMD in the NAMD package on top of the existing aMD feature and validated it on three model systems: alanine dipeptide, the chignolin fast-folding protein, and the M 3 muscarinic G protein-coupled receptor (GPCR). For alanine dipeptide, while conventional molecular dynamics (cMD) simulations performed for 30 ns are poorly converged, GaMD simulations of the same length yield free energy profiles that agree quantitatively with those of 1000 ns cMD simulation. Further GaMD simulations have captured folding of the chignolin and binding of the acetylcholine (ACh) endogenous agonist to the M 3 muscarinic receptor. The reweighted free energy profiles are used to characterize the protein folding and ligand binding pathways quantitatively. GaMD implemented in the scalable NAMD is widely applicable to enhanced sampling and free energy calculations of large biomolecules.

  11. 75 FR 28555 - Executive Green ICT & Energy Efficiency Trade Mission to Mexico City, Mexico

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-05-21

    ... energy efficiency in data centers, smart grids, and green buildings will be discussed. Mission delegates... DEPARTMENT OF COMMERCE International Trade Administration Executive Green ICT & Energy Efficiency... Administration, and U.S. & Foreign Commercial Service are organizing an Executive Green ICT & Energy Efficiency...

  12. Low energy positron beam system for the investigation of 2D and porous materials

    NASA Astrophysics Data System (ADS)

    Chrysler, M. D.; Chirayath, V. A.; Mcdonald, A. D.; Gladen, R. W.; Fairchild, A. J.; Koymen, A. R.; Weiss, A. H.

    2017-01-01

    An advanced variable energy positron beam (~2 eV to 20 keV) has been designed, tested and utilized for coincidence Doppler broadening (CDB) measurements at the University of Texas at Arlington (UTA). A high efficiency solidified rare gas (Neon) moderator was used for the generation of a slow positron beam. The gamma rays produced as a result of the annihilation of positrons with the sample electrons are measured using a high purity Germanium (HPGe) detector in coincidence with a NaI(Tl) detector. Modifications to the system, currently underway, permits simultaneous measurements utilizing Positron annihilation induced Auger Electron Spectroscopy (PAES) and CDB. The tendency of positrons to become trapped in an image potential well at the surface will allow the new system to be used in measurements of the chemical structure of surfaces, internal or external and interfaces. The system will utilize a time of flight (TOF) technique for electron energy measurements. A 3m flight path from the sample to a micro-channel plate (MCP) in the new system will give it superior energy resolution at higher electron energies as compared to previous TOF systems utilizing shorter flight paths.

  13. 10 CFR 431.86 - Uniform test method for the measurement of energy efficiency of commercial packaged boilers.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 10 Energy 3 2013-01-01 2013-01-01 false Uniform test method for the measurement of energy efficiency of commercial packaged boilers. 431.86 Section 431.86 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY PROGRAM FOR CERTAIN COMMERCIAL AND INDUSTRIAL EQUIPMENT Commercial Packaged...

  14. 10 CFR 431.86 - Uniform test method for the measurement of energy efficiency of commercial packaged boilers.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 3 2011-01-01 2011-01-01 false Uniform test method for the measurement of energy efficiency of commercial packaged boilers. 431.86 Section 431.86 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY PROGRAM FOR CERTAIN COMMERCIAL AND INDUSTRIAL EQUIPMENT Commercial Packaged...

  15. 10 CFR 431.86 - Uniform test method for the measurement of energy efficiency of commercial packaged boilers.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 10 Energy 3 2012-01-01 2012-01-01 false Uniform test method for the measurement of energy efficiency of commercial packaged boilers. 431.86 Section 431.86 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY PROGRAM FOR CERTAIN COMMERCIAL AND INDUSTRIAL EQUIPMENT Commercial Packaged...

  16. 10 CFR 431.86 - Uniform test method for the measurement of energy efficiency of commercial packaged boilers.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 10 Energy 3 2014-01-01 2014-01-01 false Uniform test method for the measurement of energy efficiency of commercial packaged boilers. 431.86 Section 431.86 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY PROGRAM FOR CERTAIN COMMERCIAL AND INDUSTRIAL EQUIPMENT Commercial Packaged...

  17. 78 FR 41387 - Petition for Waiver and Notice of Granting the Application for Interim Waiver of ASKO Appliances...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-07-10

    ... DEPARTMENT OF ENERGY Office of Energy Efficiency and Renewable Energy [Case No. CD-008] Petition... DOE Residential Clothes Dryer Test Procedure AGENCY: Office of Energy Efficiency and Renewable Energy... Assistant Secretary for Energy Efficiency and Renewable Energy (the Assistant Secretary) if it is determined...

  18. 77 FR 43807 - Renewable Energy and Energy Efficiency Advisory Committee; Extended Deadline for Solicitation of...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-07-26

    ... DEPARTMENT OF COMMERCE International Trade Administration Renewable Energy and Energy Efficiency... has extended the deadline by which it will accept nominations to serve on the Renewable Energy and... Renewable Energy and Energy Efficiency Advisory Committee can be found in Federal Register of June 26, 2012...

  19. 78 FR 48855 - Renewable Energy and Energy Efficiency Advisory Committee

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-08-12

    ... Administration Renewable Energy and Energy Efficiency Advisory Committee AGENCY: International Trade Administration, U.S. Department of Commerce. ACTION: Notice of an Open Meeting. SUMMARY: The Renewable Energy and Energy Efficiency Advisory Committee (RE&EEAC) will hold a meeting on September 10, 2013. The meeting is...

  20. Electrical characterization and comparison of CIGS solar cells made with different structures and fabrication techniques

    DOE PAGES

    Garris, Rebekah L.; Johnston, Steven; Li, Jian V.; ...

    2017-08-31

    In a previous study, we reported on Cu(In,Ga)Se2-based (CIGS) solar cell samples collected from different research laboratories and industrial companies with the purpose of understanding the range of CIGS materials that can lead to high-quality and high-efficiency solar panels. Here, we report on electrical measurements of those same samples. Electron-beam induced current and time-resolved photoluminescence (TRPL) gave insights about the collection probability and the lifetime of carriers generated in each absorber. Capacitance and drive-level capacitance profiling revealed nonuniformity in carrier-density profiles. Admittance spectroscopy revealed small activation energies (= 0.03 eV) indicative of the inversion strength, larger activation energies (> 0.1more » eV) reflective of thermal activation of absorber conductivity and a deeper defect level. Deep-level transient spectroscopy (DLTS) probed deep hole-trapping defects and showed that all samples in this study had a majority-carrier defect with activation energy between 0.3 eV and 0.9 eV. Optical-DLTS revealed deep electron-trapping defects in several of the CIGS samples. This work focused on revealing similarities and differences between high-quality CIGS solar cells made with various structures and fabrication techniques.« less

  1. Electrical characterization and comparison of CIGS solar cells made with different structures and fabrication techniques

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

    Garris, Rebekah L.; Johnston, Steven; Li, Jian V.

    In a previous study, we reported on Cu(In,Ga)Se2-based (CIGS) solar cell samples collected from different research laboratories and industrial companies with the purpose of understanding the range of CIGS materials that can lead to high-quality and high-efficiency solar panels. Here, we report on electrical measurements of those same samples. Electron-beam induced current and time-resolved photoluminescence (TRPL) gave insights about the collection probability and the lifetime of carriers generated in each absorber. Capacitance and drive-level capacitance profiling revealed nonuniformity in carrier-density profiles. Admittance spectroscopy revealed small activation energies (= 0.03 eV) indicative of the inversion strength, larger activation energies (> 0.1more » eV) reflective of thermal activation of absorber conductivity and a deeper defect level. Deep-level transient spectroscopy (DLTS) probed deep hole-trapping defects and showed that all samples in this study had a majority-carrier defect with activation energy between 0.3 eV and 0.9 eV. Optical-DLTS revealed deep electron-trapping defects in several of the CIGS samples. This work focused on revealing similarities and differences between high-quality CIGS solar cells made with various structures and fabrication techniques.« less

  2. Synthesis and characterization of white light-emitting Dy3+-doped Gd2O3 nanophosphors

    NASA Astrophysics Data System (ADS)

    Nambram, S.; Singh, S. D.; Meetei, S. D.

    2016-03-01

    A series of Gd2O3 nanophosphors doped with different concentration of Dy3+ has been synthesized by chemical precipitation method. X-ray diffraction study of the undoped and doped samples suggests that Dy3+ atoms remain in the crystallite cubic lattice of the host. The particle sizes are in the range of 14-19 nm. Energy-dispersive analysis of X-ray spectroscopy study and Fourier transform infrared spectroscopy studies are also performed to analyze the elements present in the samples. Photoluminescence emission peak of Dy3+ in doped samples are observed at 487, 575 and 672 nm corresponding to the 4F9/2-6H15/2, 4F9/2-6H13/2 and 4F9/2-6H11/2 transition, respectively. Effective energy transfer from Gd3+ to Dy3+ is observed, yielding efficient emission under UV excitation. The maximum emission intensity is found at 1.5 at.% Dy3+-doped Gd2O3 sample. The enhancement in the emission intensity with the increase in Dy3+ is due to the increase in energy transfer from Gd3+ of host to Dy3+ ions. The CIE ( Commission Internationale de l'é clairage) coordinates of the doped samples are found to be very close to that of standard white color (0.33, 0.33).

  3. Controlled defects in semiconducting carbon nanotubes promote efficient generation and luminescence of trions.

    PubMed

    Brozena, Alexandra H; Leeds, Jarrett D; Zhang, Yin; Fourkas, John T; Wang, YuHuang

    2014-05-27

    We demonstrate efficient creation of defect-bound trions through chemical doping of controlled sp(3) defect sites in semiconducting, single-walled carbon nanotubes. These tricarrier quasi-particles luminesce almost as brightly as their parent excitons, indicating a remarkably efficient conversion of excitons into trions. Substantial populations of trions can be generated at low excitation intensities, even months after a sample has been prepared. Photoluminescence spectroscopy reveals a trion binding energy as high as 262 meV, which is substantially larger than any previously reported values. This discovery may have important ramifications not only for studying the basic physics of trions but also for the application of these species in fields such as photonics, electronics, and bioimaging.

  4. Structure prediction of nanoclusters; a direct or a pre-screened search on the DFT energy landscape?

    PubMed

    Farrow, M R; Chow, Y; Woodley, S M

    2014-10-21

    The atomic structure of inorganic nanoclusters obtained via a search for low lying minima on energy landscapes, or hypersurfaces, is reported for inorganic binary compounds: zinc oxide (ZnO)n, magnesium oxide (MgO)n, cadmium selenide (CdSe)n, and potassium fluoride (KF)n, where n = 1-12 formula units. The computational cost of each search is dominated by the effort to evaluate each sample point on the energy landscape and the number of required sample points. The effect of changing the balance between these two factors on the success of the search is investigated. The choice of sample points will also affect the number of required data points and therefore the efficiency of the search. Monte Carlo based global optimisation routines (evolutionary and stochastic quenching algorithms) within a new software package, viz. Knowledge Led Master Code (KLMC), are employed to search both directly and after pre-screening on the DFT energy landscape. Pre-screening includes structural relaxation to minimise a cheaper energy function - based on interatomic potentials - and is found to improve significantly the search efficiency, and typically reduces the number of DFT calculations required to locate the local minima by more than an order of magnitude. Although the choice of functional form is important, the approach is robust to small changes to the interatomic potential parameters. The computational cost of initial DFT calculations of each structure is reduced by employing Gaussian smearing to the electronic energy levels. Larger (KF)n nanoclusters are predicted to form cuboid cuts from the rock-salt phase, but also share many structural motifs with (MgO)n for smaller clusters. The transition from 2D rings to 3D (bubble, or fullerene-like) structures occur at a larger cluster size for (ZnO)n and (CdSe)n. Differences between the HOMO and LUMO energies, for all the compounds apart from KF, are in the visible region of the optical spectrum (2-3 eV); KF lies deep in the UV region at 5 eV and shows little variation. Extrapolating the electron affinities found for the clusters with respect to size results in the qualitatively correct work functions for the respective bulk materials.

  5. Energy Efficiency and Demand Response for Residential Applications

    NASA Astrophysics Data System (ADS)

    Wellons, Christopher J., II

    The purpose of this thesis is to analyze the costs, feasibility and benefits of implementing energy efficient devices and demand response programs to a residential consumer environment. Energy efficiency and demand response are important for many reasons, including grid stabilization. With energy demand increasing, as the years' pass, the drain on the grid is going up. There are two key solutions to this problem, increasing supply by building more power plants and decreasing demand during peak periods, by increasing participation in demand response programs and by upgrading residential and commercial customers to energy efficient devices, to lower demand throughout the day. This thesis focuses on utilizing demand response methods and energy efficient device to reduce demand. Four simulations were created to analyze these methods. These simulations show the importance of energy efficiency and demand response participation to help stabilize the grid, integrate more alternative energy resources, and reduce emissions from fossil fuel generating facilities. The results of these numerical analyses show that demand response and energy efficiency can be beneficial to consumers and utilities. With demand response being the most beneficial to the utility and energy efficiency, specifically LED lighting, providing the most benefits to the consumer.

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

    None

    Assessing the impact of energy efficiency technologies at a district or city scale is of great interest to local governments, real estate developers, utility companies, and policymakers. This paper describes a flexible framework that can be used to create and run district and city scale building energy simulations. The framework is built around the new OpenStudio City Database (CityDB). Building footprints, building height, building type, and other data can be imported from public records or other sources. Missing data can be inferred or assigned from a statistical sampling of other datasets. Once all required data is available, OpenStudio Measures aremore » used to create starting point energy models and to model energy efficiency measures for each building. Together this framework allows a user to pose several scenarios such as 'what if 30% of the commercial retail buildings added rooftop solar' or 'what if all elementary schools converted to ground source heat pumps' and then visualize the impacts at a district or city scale. This paper focuses on modeling existing building stock using public records. However, the framework is capable of supporting the evaluation of new construction, district systems, and the use of proprietary data sources.« less

  7. Suitability of aquatic biomass from Lake Toba (North Sumatra, Indonesia) for energy generation by combustion process

    NASA Astrophysics Data System (ADS)

    Brunerová, A.; Roubík, H.; Herák, D.

    2017-09-01

    Several aquatic plant species were identified as aquatic pollution of Lake Toba, North Sumatra (Indonesia); specifically, water hyacinth Eichhornia crassipes and aquatic weeds Hydrilla verticillata and Myriophyllum spicatum due to their high biomass yield which causes impenetrable mats at the bottom and surface of the lake. That complicates other vegetation growth and utilization of water areas for fishing or recreation. In attempt to clean the lake and prevent plants expansion, great amount of plants populations are removed from water but subsequent efficient utilization of such aquatic biomass is not ensured. Present research investigated energy potential of aquatic biomass originated from mentioned aquatic plants from Lake Toba and its possible utilization for energy production by direct combustion. Performed chemical analysis contained from determination of moisture, ash and volatile matter contents and calorific values. Evaluation of results proved highest suitability and energy potential of Eichhornia crassipes with gross calorific value (GCV) 16.31 MJ·kg-1, followed by Hydrilla verticillata with GCV 15.24 MJ·kg-1. Samples of Myriophyllum spicatum exhibited unsatisfactory results due to its low GCV (11.27 MJ·kg-1) in combination with high ash content (36.99%) which indicates complications during combustion, thus, low energy production efficiency and overall unsuitability for combustion purposes.

  8. Choreographing an enzyme’s dance

    PubMed Central

    Villali, Janice; Kern, Dorothee

    2010-01-01

    While ground state structures combined with chemical tools and enzyme kinetics deliver useful information on possible chemical mechanisms of enzyme catalysis, they do not unravel the finely balanced energy inventory to explain the impressive rate enhancement of enzymes. For this goal, a complete description of enzyme catalysis in the form of an energy landscape is needed. Since the rate of catalysis is determined by the climb over a sequence of energy barriers, we focus here on the critical question of transition pathways. A combination of time-resolved NMR and simulation deliver a glimpse into how proteins can so efficiently move within the ensemble of the native conformations while avoiding unfolding during that journey. The loss of energy due to breakage of native contacts is compensated by non-native transient hydrogen bonds during the transition thereby “holding on” to the energy until the new native contacts form that define the alternate functional state. The use of kinetic isotope effects (KIE) to study the chemical step show that coordinated atomic fluctuations of the protein component dictate the probability of “correct” distance and orientation, due to its extreme sensitivity to distance. The examples here stress the point that highly choreographed conformational sampling together with chemical integrity is a prerequisite for efficient enzyme catalysis. PMID:20822946

  9. Center for Efficiency in Sustainable Energy Systems

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

    Abraham, Martin

    The main goal of the Center for Efficiency in Sustainable Energy Systems is to produce a methodology that evaluates a variety of energy systems. Task I. Improved Energy Efficiency for Industrial Processes: This task, completed in partnership with area manufacturers, analyzes the operation of complex manufacturing facilities to provide flexibilities that allow them to improve active-mode power efficiency, lower standby-mode power consumption, and use low cost energy resources to control energy costs in meeting their economic incentives; (2) Identify devices for the efficient transformation of instantaneous or continuous power to different devices and sections of industrial plants; and (3) usemore » these manufacturing sites to demonstrate and validate general principles of power management. Task II. Analysis of a solid oxide fuel cell operating on landfill gas: This task consists of: (1) analysis of a typical landfill gas; (2) establishment of a comprehensive design of the fuel cell system (including the SOFC stack and BOP), including durability analysis; (3) development of suitable reforming methods and catalysts that are tailored to the specific SOFC system concept; and (4) SOFC stack fabrication with testing to demonstrate the salient operational characteristics of the stack, including an analysis of the overall energy conversion efficiency of the system. Task III. Demonstration of an urban wind turbine system: This task consists of (1) design and construction of two side-by-side wind turbine systems on the YSU campus, integrated through power control systems with grid power; (2) preliminary testing of aerodynamic control effectors (provided by a small business partner) to demonstrate improved power control, and evaluation of the system performance, including economic estimates of viability in an urban environment; and (3) computational analysis of the wind turbine system as an enabling activity for development of smart rotor blades that contain integrated sensor/actuator/controller modules to enhance energy capture and reduce aerodynamic loading and noise by way of virtual aerodynamic shaping. Accomplishments: Task I. Improved Energy Efficiency for Industrial Processes: We organized an energy management training session held on February 22, 2011, which was advertised through a regional manufacturing association to provide wide-ranging notification. Over two dozen companies were represented a the seminar, ranging from heavy manufacturing businesses with $5,000,000 per year energy expenses, to small, light manufacturing facilities. Task 2. Landfill Fuel Cell Power Generation Solid Oxide Fuel Cells (SOFCs) were constructed and evaluated as a means of obtaining electrical energy from landfill gas. Analysis of landfill gas. Attempts at collecting gas samples at the landfill and evaluating them on campus were still unsuccessful. Even a Teflon® sample bag would lose its H2S content. Evaluation of Gas Clean-up We consider this a confirmation of the CO2 effect on the solubility of H2S in water making much less sulfide available for the photocatalyst. It also means that another method should be employed to clean up landfill gas. Nonetheless, composition of impurities in landfill gas was reduced sufficiently to allow successful operation of the test fuel cell. Comparison to a PEM fuel cell system. If a PEMFC were to be operated with landfill gas as the fuel, the gas would have to be treated for sulfur removal, and then processed in a reformer large enough to drive the equilibrium far toward the products, so that negligible CO would flow into the fuel cell. Analysis of a fuel cell running on landfill gas. Using a Gow-Mac gas chromatograph with a thermal conductivity detector, unambiguous determination of CO can be made, at least as a primary constituent Task 3: Task 3 Plasma Controlled Turbine Blades Wind Turbine Selection. After carefully reviewing the various model available in the market the team selected the ARE 110 (2.5kW). The ARE 110 provides a very long life with little maintenance due to their relatively low rotational speeds (low RPM). The turbines large swept area (10.2ms2/110sq.ft), high-efficiency blades, purpose built alternator, and optimized power electronics ensure maximum energy capture from a wide range of wind speeds. Two wind turbines were installed side-by-side at the Melnick Hall site to compare their performance. Evaluate and Optimize Aerodynamically Enhanced Turbine Blades Due to delays in the installation of the wind turbines, no actual data was obtained within the contract period. At this time, the turbines are installed and operational at YSU with standard blades. We are in contact with Orbital Research and in discussion as to how best the required data can be obtained.« less

  10. Efficient multicolor tunability of ultrasmall ternary-doped LaF3 nanoparticles: energy conversion and magnetic behavior.

    PubMed

    Shrivastava, Navadeep; Khan, L U; Vargas, J M; Ospina, Carlos; Coaquira, J A Q; Zoppellaro, Giorgio; Brito, H F; Javed, Yasir; Shukla, D K; Felinto, M C F C; Sharma, Surender K

    2017-07-19

    Luminescence-tunable multicolored LaF 3 :xCe 3+ ,xGd 3+ ,yEu 3+ (x = 5; y = 1, 5, 10, and 15 mol%) nanoparticles have been synthesized via a low cost polyol method. Powder X-ray diffraction and high-resolution transmission electron microscopy studies confirm the hexagonal phase of the LaF 3 :xCe 3+ ,xGd 3+ ,yEu 3+ nanophosphors with average sizes (oval shape) ranging from 5 to 7 nm. Energy-dispersive X-ray spectroscopy analyses show the uniform distribution of Ce 3+ , Gd 3+ , and Eu 3+ dopants in the LaF 3 host matrix. The photoluminescence spectra and electron paramagnetic resonance measurements guarantee the presence of Eu 2+ , corroborated through DC susceptibility measurements of the samples displaying paramagnetic behavior at 300 K, whereas weak ferromagnetic ordering is shown at 2 K. The non-radiative energy transfer processes from the 4f( 2 F 5/2 ) → 5d state (Ce 3+ ) to the intraconfigurational 4f excited levels of rare earth ions and simultaneous emissions in the visible region from the 4f 6 5d 1 (Eu 2+ ) and 5 D 0 (Eu 3+ ) emitting levels, leading to overlapped broad and narrow emission bands, have been proclaimed. The energy transfer mechanism proposes involvement of the Gd 3+ ion sub-lattice as the bridge and finally trapping by Eu 2+/3+ , upon excitation of the Ce 3+ ion. The calculation of experimental intensity parameters (Ω 2,4 ) has been discussed and the highest emission quantum efficiency (η = 85%) of the Eu 3+ ion for the y = 10 mol% sample is reported. The advantageous existence of the Eu 2+ /Eu 3+ ratio along with variously doped nanomaterials described in this work, results in tunable emission color in the blue-white-red regions, highlighting the potential application of the samples in solid-state lighting devices, scintillation devices, and multiplex detection.

  11. 78 FR 72874 - Revision of a Currently Approved Information Collection for the Energy Efficiency and...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-12-04

    ... Efficiency and Conservation Block Grant Program Status Report AGENCY: U.S. Department of Energy. ACTION... . Additional information and reporting guidance concerning the Energy Efficiency and Conservation Block Grant... Title: ``Energy Efficiency and Conservation Block Grant (EECBG) Program Status Report''; (3) Type of...

  12. 48 CFR 23.202 - Policy.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... ENVIRONMENT, ENERGY AND WATER EFFICIENCY, RENEWABLE ENERGY TECHNOLOGIES, OCCUPATIONAL SAFETY, AND DRUG-FREE WORKPLACE Energy and Water Efficiency and Renewable Energy 23.202 Policy. The Government's policy is to acquire supplies and services that promote energy and water efficiency, advance the use of renewable...

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

    Knittel, Christopher; Wolfran, Catherine; Gandhi, Raina

    A wide range of climate plans rely on energy efficiency to generate energy and carbon emissions reductions, but conventional wisdom holds that consumers have historically underinvested in energy efficiency upgrades. This underinvestment may occur for a variety of reasons, one of which is that consumers are not adequately informed about the benefits to energy efficiency. To address this, the U.S. Department of Energy created a tool called the Home Energy Score (HEScore) to act as a simple, low-cost means to provide clear information about a home’s energy efficiency and motivate homeowners and homebuyers to invest in energy efficiency. The Departmentmore » of Energy is in the process of conducting four evaluations assessing the impact of the Home Energy Score on residential energy efficiency investments and program participation. This paper describes one of these evaluations: a randomized controlled trial conducted in New Jersey in partnership with New Jersey Natural Gas. The evaluation randomly provides homeowners who have received an audit, either because they have recently replaced their furnace, boiler, and/or gas water heater with a high-efficiency model and participated in a free audit to access an incentive, or because they requested an independent audit3, between May 2014 and October 2015, with the Home Energy Score.« less

  14. Energy efficiency of high-rise buildings

    NASA Astrophysics Data System (ADS)

    Zhigulina, Anna Yu.; Ponomarenko, Alla M.

    2018-03-01

    The article is devoted to analysis of tendencies and advanced technologies in the field of energy supply and energy efficiency of tall buildings, to the history of the emergence of the concept of "efficiency" and its current interpretation. Also the article show the difference of evaluation criteria of the leading rating systems LEED and BREEAM. Authors reviewed the latest technologies applied in the construction of energy efficient buildings. Methodological approach to the design of tall buildings taking into account energy efficiency needs to include the primary energy saving; to seek the possibility of production and accumulation of alternative electric energy by converting energy from the sun and wind with the help of special technical devices; the application of regenerative technologies.

  15. 10 CFR 431.21 - Procedures for recognition and withdrawal of recognition of accreditation bodies and...

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... ENERGY CONSERVATION ENERGY EFFICIENCY PROGRAM FOR CERTAIN COMMERCIAL AND INDUSTRIAL EQUIPMENT Electric... Assistant Secretary for Energy Efficiency and Renewable Energy, U.S. Department of Energy, Forrestal... comments in a written statement submitted to the Assistant Secretary for Energy Efficiency and Renewable...

  16. Get Started: Energy Efficiency Makes More Sense Than Ever.

    ERIC Educational Resources Information Center

    Alban, Josh; Drabick, J. R.

    2003-01-01

    Describes the benefits of making school building more energy efficient. Provides examples of physical retrofits and behavioral changes to save energy costs. Describes four-step process to create an energy efficiency plan. Includes resources and information such as U.S. Department of Energy's Energy STAR program (www.energystar.gov). (PKP)

  17. 48 CFR 52.223-15 - Energy Efficiency in Energy-Consuming Products.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 48 Federal Acquisition Regulations System 2 2010-10-01 2010-10-01 false Energy Efficiency in Energy-Consuming Products. 52.223-15 Section 52.223-15 Federal Acquisition Regulations System FEDERAL... Provisions and Clauses 52.223-15 Energy Efficiency in Energy-Consuming Products. As prescribed in 23.206...

  18. 48 CFR 52.223-15 - Energy Efficiency in Energy-Consuming Products.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 48 Federal Acquisition Regulations System 2 2011-10-01 2011-10-01 false Energy Efficiency in Energy-Consuming Products. 52.223-15 Section 52.223-15 Federal Acquisition Regulations System FEDERAL... Provisions and Clauses 52.223-15 Energy Efficiency in Energy-Consuming Products. As prescribed in 23.206...

  19. 48 CFR 52.223-15 - Energy Efficiency in Energy-Consuming Products.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 48 Federal Acquisition Regulations System 2 2012-10-01 2012-10-01 false Energy Efficiency in Energy-Consuming Products. 52.223-15 Section 52.223-15 Federal Acquisition Regulations System FEDERAL... Provisions and Clauses 52.223-15 Energy Efficiency in Energy-Consuming Products. As prescribed in 23.206...

  20. 48 CFR 52.223-15 - Energy Efficiency in Energy-Consuming Products.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 48 Federal Acquisition Regulations System 2 2013-10-01 2013-10-01 false Energy Efficiency in Energy-Consuming Products. 52.223-15 Section 52.223-15 Federal Acquisition Regulations System FEDERAL... Provisions and Clauses 52.223-15 Energy Efficiency in Energy-Consuming Products. As prescribed in 23.206...

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