A global optimization method synthesizing heat transfer and thermodynamics for the power generation system with Brayton cycle

NASA Astrophysics Data System (ADS)

Fu, Rong-Huan; Zhang, Xing

2016-09-01

Supercritical carbon dioxide operated in a Brayton cycle offers a numerous of potential advantages for a power generation system, and a lot of thermodynamics analyses have been conducted to increase its efficiency. Because there are a lot of heat-absorbing and heat-lossing subprocesses in a practical thermodynamic cycle and they are implemented by heat exchangers, it will increase the gross efficiency of the whole power generation system to optimize the system combining thermodynamics and heat transfer theory. This paper analyzes the influence of the performance of heat exchangers on the actual efficiency of an ideal Brayton cycle with a simple configuration, and proposes a new method to optimize the power generation system, which aims at the minimum energy consumption. Although the method is operated only for the ideal working fluid in this paper, its merits compared to that only with thermodynamic analysis are fully shown.

Directly patching high-level exchange-correlation potential based on fully determined optimized effective potentials

NASA Astrophysics Data System (ADS)

Huang, Chen; Chi, Yu-Chieh

2017-12-01

The key element in Kohn-Sham (KS) density functional theory is the exchange-correlation (XC) potential. We recently proposed the exchange-correlation potential patching (XCPP) method with the aim of directly constructing high-level XC potential in a large system by patching the locally computed, high-level XC potentials throughout the system. In this work, we investigate the patching of the exact exchange (EXX) and the random phase approximation (RPA) correlation potentials. A major challenge of XCPP is that a cluster's XC potential, obtained by solving the optimized effective potential equation, is only determined up to an unknown constant. Without fully determining the clusters' XC potentials, the patched system's XC potential is "uneven" in the real space and may cause non-physical results. Here, we developed a simple method to determine this unknown constant. The performance of XCPP-RPA is investigated on three one-dimensional systems: H20, H10Li8, and the stretching of the H19-H bond. We investigated two definitions of EXX: (i) the definition based on the adiabatic connection and fluctuation dissipation theorem (ACFDT) and (ii) the Hartree-Fock (HF) definition. With ACFDT-type EXX, effective error cancellations were observed between the patched EXX and the patched RPA correlation potentials. Such error cancellations were absent for the HF-type EXX, which was attributed to the fact that for systems with fractional occupation numbers, the integral of the HF-type EXX hole is not -1. The KS spectra and band gaps from XCPP agree reasonably well with the benchmarks as we make the clusters large.

Development and Application of Collaborative Optimization Software for Plate - fin Heat Exchanger

NASA Astrophysics Data System (ADS)

Chunzhen, Qiao; Ze, Zhang; Jiangfeng, Guo; Jian, Zhang

2017-12-01

This paper introduces the design ideas of the calculation software and application examples for plate - fin heat exchangers. Because of the large calculation quantity in the process of designing and optimizing heat exchangers, we used Visual Basic 6.0 as a software development carrier to design a basic calculation software to reduce the calculation quantity. Its design condition is plate - fin heat exchanger which was designed according to the boiler tail flue gas. The basis of the software is the traditional design method of the plate-fin heat exchanger. Using the software for design and calculation of plate-fin heat exchangers, discovery will effectively reduce the amount of computation, and similar to traditional methods, have a high value.

Outstanding performance of configuration interaction singles and doubles using exact exchange Kohn-Sham orbitals in real-space numerical grid method

NASA Astrophysics Data System (ADS)

Lim, Jaechang; Choi, Sunghwan; Kim, Jaewook; Kim, Woo Youn

2016-12-01

To assess the performance of multi-configuration methods using exact exchange Kohn-Sham (KS) orbitals, we implemented configuration interaction singles and doubles (CISD) in a real-space numerical grid code. We obtained KS orbitals with the exchange-only optimized effective potential under the Krieger-Li-Iafrate (KLI) approximation. Thanks to the distinctive features of KLI orbitals against Hartree-Fock (HF), such as bound virtual orbitals with compact shapes and orbital energy gaps similar to excitation energies; KLI-CISD for small molecules shows much faster convergence as a function of simulation box size and active space (i.e., the number of virtual orbitals) than HF-CISD. The former also gives more accurate excitation energies with a few dominant configurations than the latter, even with many more configurations. The systematic control of basis set errors is straightforward in grid bases. Therefore, grid-based multi-configuration methods using exact exchange KS orbitals provide a promising new way to make accurate electronic structure calculations.

A Review of Industrial Heat Exchange Optimization

NASA Astrophysics Data System (ADS)

Yao, Junjie

2018-01-01

Heat exchanger is an energy exchange equipment, it transfers the heat from a working medium to another working medium, which has been wildly used in petrochemical industry, HVAC refrigeration, aerospace and so many other fields. The optimal design and efficient operation of the heat exchanger and heat transfer network are of great significance to the process industry to realize energy conservation, production cost reduction and energy consumption reduction. In this paper, the optimization of heat exchanger, optimal algorithm and heat exchanger optimization with different objective functions are discussed. Then, optimization of the heat exchanger and the heat exchanger network considering different conditions are compared and analysed. Finally, all the problems discussed are summarized and foresights are proposed.

Optimal investments in digital communication systems in primary exchange area

NASA Astrophysics Data System (ADS)

Garcia, R.; Hornung, R.

1980-11-01

Integer linear optimization theory, following Gomory's method, was applied to the model planning of telecommunication networks in which all future investments are made in digital systems only. The integer decision variables are the number of digital systems set up on cable or radiorelay links that can be installed. The objective function is the total cost of the extension of the existing line capacity to meet the demand between primary and local exchanges. Traffic volume constraints and flow conservation in transit nodes complete the model. Results indicating computing time and method efficiency are illustrated by an example.

Simple iterative construction of the optimized effective potential for orbital functionals, including exact exchange.

PubMed

Kümmel, Stephan; Perdew, John P

2003-01-31

For exchange-correlation functionals that depend explicitly on the Kohn-Sham orbitals, the potential V(xcsigma)(r) must be obtained as the solution of the optimized effective potential (OEP) integral equation. This is very demanding and has limited the use of orbital functionals. We demonstrate that instead the OEP can be obtained iteratively by solving the partial differential equations for the orbital shifts that exactify the Krieger-Li-Iafrate approximation. Unoccupied orbitals do not need to be calculated. Accuracy and efficiency of the method are shown for atoms and clusters using the exact-exchange energy. Counterintuitive asymptotic limits of the exact OEP are presented.

Chiral ligand exchange high-speed countercurrent chromatography: mechanism, application and comparison with conventional liquid chromatography in enantioseparation of aromatic α-hydroxyl acids

PubMed Central

Tong, Shengqiang; Shen, Mangmang; Cheng, Dongping; Ito, Yoichiro; Yan, Jizhong

2014-01-01

This work concentrates on the separation mechanism and application of chiral ligand exchange high-speed countercurrent chromatography (HSCCC) in enantioseparations, and comparison with traditional chiral ligand exchange high performance liquid chromatography (HPLC). The enantioseparation of ten aromatic α-hydroxyl acids were performed by these two chromatographic methods. Results showed that five of the racemates were successfully enantioseparated by HSCCC while only three of the racemates could be enantioseparated by HPLC using a suitable chiral ligand mobile phase additive. For HSCCC, the two-phase solvent system was composed of butanol-water (1:1, v/v), to which N-n-dodecyl-L-proline was added in the organic phase as chiral ligand and cupric acetate was added in the aqueous phase as a transition metal ion. Various operation parameters in HSCCC were optimized by enantioselective liquid-liquid extraction. Based on the results of the present studies the separation mechanism for HSCCC was proposed. For HPLC, the optimized mobile phase composed of aqueous solution containing 6 mmol L−1 L-phenylalanine and 3 mmol L−1 cupric sulfate and methanol was used for enantioseparation. Among three ligands tested on a conventional reverse stationary phase column, only one was found to be effective. In the present studies HSCCC presented unique advantages due to its high versatility of two-phase solvent systems and it could be used as an alternative method for enantioseparations. PMID:25087742

Surrogates for numerical simulations; optimization of eddy-promoter heat exchangers

NASA Technical Reports Server (NTRS)

Patera, Anthony T.; Patera, Anthony

1993-01-01

Although the advent of fast and inexpensive parallel computers has rendered numerous previously intractable calculations feasible, many numerical simulations remain too resource-intensive to be directly inserted in engineering optimization efforts. An attractive alternative to direct insertion considers models for computational systems: the expensive simulation is evoked only to construct and validate a simplified, input-output model; this simplified input-output model then serves as a simulation surrogate in subsequent engineering optimization studies. A simple 'Bayesian-validated' statistical framework for the construction, validation, and purposive application of static computer simulation surrogates is presented. As an example, dissipation-transport optimization of laminar-flow eddy-promoter heat exchangers are considered: parallel spectral element Navier-Stokes calculations serve to construct and validate surrogates for the flowrate and Nusselt number; these surrogates then represent the originating Navier-Stokes equations in the ensuing design process.

Adaptation of the projector-augmented-wave formalism to the treatment of orbital-dependent exchange-correlation functionals

NASA Astrophysics Data System (ADS)

Xu, Xiao; Holzwarth, N. A. W.

2011-10-01

This paper presents the formulation and numerical implementation of a self-consistent treatment of orbital-dependent exchange-correlation functionals within the projector-augmented-wave method of Blöchl [Phys. Rev. BPRBMDO1098-012110.1103/PhysRevB.50.17953 50, 17953 (1994)] for electronic structure calculations. The methodology is illustrated with binding energy curves for C in the diamond structure and LiF in the rock salt structure, by comparing results from the Hartree-Fock (HF) formalism and the optimized effective potential formalism in the so-called KLI approximation [Krieger, Li, and Iafrate, Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.45.101 45, 101 (1992)] with those of the local density approximation. While the work here uses pure Fock exchange only, the formalism can be extended to treat orbital-dependent functionals more generally.

Evaluation of the dependence of CEST-EPI measurement on repetition time, RF irradiation duty cycle and imaging flip angle for enhanced pH sensitivity

NASA Astrophysics Data System (ADS)

Zhe Sun, Phillip; Lu, Jie; Wu, Yin; Xiao, Gang; Wu, Renhua

2013-09-01

Chemical exchange saturation transfer (CEST) is a magnetic resonance imaging (MRI) contrast mechanism that can detect dilute CEST agents and microenvironmental properties, with a host of promising applications. Experimental measurement of the CEST effect is complex, and depends on not only CEST agent concentration and exchange rate, but also experimental parameters such as RF irradiation amplitude and scheme. Although echo planar imaging (EPI) has been increasingly used for CEST MRI, the relationship between CEST effect and repetition time (TR), RF irradiation duty cycle (DC) and EPI flip angle (α) has not been fully evaluated and optimized to enhance CEST MRI sensitivity. In addition, our study evaluated gradient echo CEST-EPI by quantifying the CEST effect and its signal-to-noise ratio per unit time (SNRput) as functions of TR, DC and α. We found that CEST effect increased with TR and DC but decreased with α. Importantly, we found that SNRput peaked at intermediate TRs of about twice the T1 and α, at approximately 75°, and increased with RF DC. The simulation results were validated using a dual-pH creatine-gel CEST phantom. In summary, our study provides a useful framework for optimizing CEST MRI experiments.

Replica Exchange Molecular Dynamics in the Age of Heterogeneous Architectures

NASA Astrophysics Data System (ADS)

Roitberg, Adrian

2014-03-01

The rise of GPU-based codes has allowed MD to reach timescales only dreamed of only 5 years ago. Even within this new paradigm there is still need for advanced sampling techniques. Modern supercomputers (e.g. Blue Waters, Titan, Keeneland) have made available to users a significant number of GPUS and CPUS, which in turn translate into amazing opportunities for dream calculations. Replica-exchange based methods can optimally use tis combination of codes and architectures to explore conformational variabilities in large systems. I will show our recent work in porting the program Amber to GPUS, and the support for replica exchange methods, where the replicated dimension could be Temperature, pH, Hamiltonian, Umbrella windows and combinations of those schemes.

Hyperfine coupling constants of the nitrogen and phosphorus atoms: A challenge for exact-exchange density-functional and post-Hartree-Fock methods

NASA Astrophysics Data System (ADS)

Kaupp, Martin; Arbuznikov, Alexei V.; Heßelmann, Andreas; Görling, Andreas

2010-05-01

The isotropic hyperfine coupling constants of the free N(S4) and P(S4) atoms have been evaluated with high-level post-Hartree-Fock and density-functional methods. The phosphorus hyperfine coupling presents a significant challenge to both types of methods. With large basis sets, MP2 and coupled-cluster singles and doubles calculations give much too small values for the phosphorus atom. Triple excitations are needed in coupled-cluster calculations to achieve reasonable agreement with experiment. None of the standard density functionals reproduce even the correct sign of this hyperfine coupling. Similarly, the computed hyperfine couplings depend crucially on the self-consistent treatment in exact-exchange density-functional theory within the optimized effective potential (OEP) method. Well-balanced auxiliary and orbital basis sets are needed for basis-expansion exact-exchange-only OEP approaches to come close to Hartree-Fock or numerical OEP data. Results from the localized Hartree-Fock and Krieger-Li-Iafrate approximations deviate notably from exact OEP data in spite of very similar total energies. Of the functionals tested, only full exact-exchange methods augmented by a correlation functional gave at least the correct sign of the P(S4) hyperfine coupling but with too low absolute values. The subtle interplay between the spin-polarization contributions of the different core shells has been analyzed, and the influence of even very small changes in the exchange-correlation potential could be identified.

Investigation and optimization of the depth of flue gas heat recovery in surface heat exchangers

NASA Astrophysics Data System (ADS)

Bespalov, V. V.; Bespalov, V. I.; Melnikov, D. V.

2017-09-01

Economic issues associated with designing deep flue gas heat recovery units for natural gas-fired boilers are examined. The governing parameter affecting the performance and cost of surface-type condensing heat recovery heat exchangers is the heat transfer surface area. When firing natural gas, the heat recovery depth depends on the flue gas temperature at the condenser outlet and determines the amount of condensed water vapor. The effect of the outlet flue gas temperature in a heat recovery heat exchanger on the additionally recovered heat power is studied. A correlation has been derived enabling one to determine the best heat recovery depth (or the final cooling temperature) maximizing the anticipated reduced annual profit of a power enterprise from implementation of energy-saving measures. Results of optimization are presented for a surface-type condensing gas-air plate heat recovery heat exchanger for the climatic conditions and the economic situation in Tomsk. The predictions demonstrate that it is economically feasible to design similar heat recovery heat exchangers for a flue gas outlet temperature of 10°C. In this case, the payback period for the investment in the heat recovery heat exchanger will be 1.5 years. The effect of various factors on the optimal outlet flue gas temperature was analyzed. Most climatic, economical, or technological factors have a minor effect on the best outlet temperature, which remains between 5 and 20°C when varying the affecting factors. The derived correlation enables us to preliminary estimate the outlet (final) flue gas temperature that should be used in designing the heat transfer surface of a heat recovery heat exchanger for a gas-fired boiler as applied to the specific climatic conditions.

Heat pump employing optimal refrigerant compressor for low pressure ratio applications

DOEpatents

Ecker, Amir L.

1982-01-01

What is disclosed is a heat pump apparatus for conditioning a fluid characterized by a fluid handler for circulating the fluid in heat exchange relationship with a refrigerant fluid; two refrigerant heat exchangers; one for effecting the heat exchange with the fluid and a second refrigerant-heat exchange fluid heat exchanger for effecting a low pressure ratio of compression of the refrigerant; a rotary compressor for compressing the refrigerant with low power consumption at the low pressure ratio; at least one throttling valve connecting at the inlet side of heat exchanger in which liquid refrigerant is vaporized; a refrigerant circuit serially connecting the above elements; refrigerant in the circuit; a source of heat exchange fluid; heat exchange fluid circulating device and heat exchange fluid circuit for circulating the heat exchange fluid in heat exchange relationship with the refrigerant.

Performance Optimization of Irreversible Air Heat Pumps Considering Size Effect

NASA Astrophysics Data System (ADS)

Bi, Yuehong; Chen, Lingen; Ding, Zemin; Sun, Fengrui

2018-06-01

Considering the size of an irreversible air heat pump (AHP), heating load density (HLD) is taken as thermodynamic optimization objective by using finite-time thermodynamics. Based on an irreversible AHP with infinite reservoir thermal-capacitance rate model, the expression of HLD of AHP is put forward. The HLD optimization processes are studied analytically and numerically, which consist of two aspects: (1) to choose pressure ratio; (2) to distribute heat-exchanger inventory. Heat reservoir temperatures, heat transfer performance of heat exchangers as well as irreversibility during compression and expansion processes are important factors influencing on the performance of an irreversible AHP, which are characterized with temperature ratio, heat exchanger inventory as well as isentropic efficiencies, respectively. Those impacts of parameters on the maximum HLD are thoroughly studied. The research results show that HLD optimization can make the size of the AHP system smaller and improve the compactness of system.

Inverse Statistics and Asset Allocation Efficiency

NASA Astrophysics Data System (ADS)

Bolgorian, Meysam

In this paper using inverse statistics analysis, the effect of investment horizon on the efficiency of portfolio selection is examined. Inverse statistics analysis is a general tool also known as probability distribution of exit time that is used for detecting the distribution of the time in which a stochastic process exits from a zone. This analysis was used in Refs. 1 and 2 for studying the financial returns time series. This distribution provides an optimal investment horizon which determines the most likely horizon for gaining a specific return. Using samples of stocks from Tehran Stock Exchange (TSE) as an emerging market and S&P 500 as a developed market, effect of optimal investment horizon in asset allocation is assessed. It is found that taking into account the optimal investment horizon in TSE leads to more efficiency for large size portfolios while for stocks selected from S&P 500, regardless of portfolio size, this strategy does not only not produce more efficient portfolios, but also longer investment horizons provides more efficiency.

Ant Lion Optimization algorithm for kidney exchanges.

PubMed

Hamouda, Eslam; El-Metwally, Sara; Tarek, Mayada

2018-01-01

The kidney exchange programs bring new insights in the field of organ transplantation. They make the previously not allowed surgery of incompatible patient-donor pairs easier to be performed on a large scale. Mathematically, the kidney exchange is an optimization problem for the number of possible exchanges among the incompatible pairs in a given pool. Also, the optimization modeling should consider the expected quality-adjusted life of transplant candidates and the shortage of computational and operational hospital resources. In this article, we introduce a bio-inspired stochastic-based Ant Lion Optimization, ALO, algorithm to the kidney exchange space to maximize the number of feasible cycles and chains among the pool pairs. Ant Lion Optimizer-based program achieves comparable kidney exchange results to the deterministic-based approaches like integer programming. Also, ALO outperforms other stochastic-based methods such as Genetic Algorithm in terms of the efficient usage of computational resources and the quantity of resulting exchanges. Ant Lion Optimization algorithm can be adopted easily for on-line exchanges and the integration of weights for hard-to-match patients, which will improve the future decisions of kidney exchange programs. A reference implementation for ALO algorithm for kidney exchanges is written in MATLAB and is GPL licensed. It is available as free open-source software from: https://github.com/SaraEl-Metwally/ALO_algorithm_for_Kidney_Exchanges.

Longitudinal relaxation optimized amide 1H-CEST experiments for studying slow chemical exchange processes in fully protonated proteins.

PubMed

Yuwen, Tairan; Kay, Lewis E

2017-04-01

Chemical Exchange Saturation Transfer (CEST) experiments are increasingly used to study slow timescale exchange processes in biomolecules. Although 15 N- and 13 C-CEST have been the approaches of choice, the development of spin state selective 1 H-CEST pulse sequences that separate the effects of chemical and dipolar exchange [T. Yuwen, A. Sekhar and L. E. Kay, Angew Chem Int Ed Engl 2016 doi: 10.1002/anie.201610759 (Yuwen et al. 2017)] significantly increases the utility of 1 H-based experiments. Pulse schemes have been described previously for studies of highly deuterated proteins. We present here longitudinal-relaxation optimized amide 1 H-CEST experiments for probing chemical exchange in protonated proteins. Applications involving a pair of proteins are presented establishing that accurate 1 H chemical shifts of sparsely populated conformers can be obtained from simple analyses of 1 H-CEST profiles. A discussion of the inherent differences between 15 N-/ 13 C- and 1 H-CEST experiments is presented, leading to an optimal strategy for recording 1 H-CEST experiments.

The solution of private problems for optimization heat exchangers parameters

NASA Astrophysics Data System (ADS)

Melekhin, A.

2017-11-01

The relevance of the topic due to the decision of problems of the economy of resources in heating systems of buildings. To solve this problem we have developed an integrated method of research which allows solving tasks on optimization of parameters of heat exchangers. This method decides multicriteria optimization problem with the program nonlinear optimization on the basis of software with the introduction of an array of temperatures obtained using thermography. The author have developed a mathematical model of process of heat exchange in heat exchange surfaces of apparatuses with the solution of multicriteria optimization problem and check its adequacy to the experimental stand in the visualization of thermal fields, an optimal range of managed parameters influencing the process of heat exchange with minimal metal consumption and the maximum heat output fin heat exchanger, the regularities of heat exchange process with getting generalizing dependencies distribution of temperature on the heat-release surface of the heat exchanger vehicles, defined convergence of the results of research in the calculation on the basis of theoretical dependencies and solving mathematical model.

Electron correlation and the self-interaction error of density functional theory

NASA Astrophysics Data System (ADS)

Polo, Victor; Kraka, Elfi; Cremer, Dieter

The self-interaction error (SIE) of commonly used DFT functionals has been systematically investigated by comparing the electron density distribution ρ( r ) generated by self-interaction corrected DFT (SIC-DFT) with a series of reference densities obtained by DFT or wavefunction theory (WFT) methods that cover typical electron correlation effects. Although the SIE of GGA functionals is considerably smaller than that of LDA functionals, it has significant consequences for the coverage of electron correlation effects at the DFT level of theory. The exchange SIE mimics long range (non-dynamic) pair correlation effects, and is responsible for the fact that the electron density of DFT exchange-only calculations resembles often that of MP4, MP2 or even CCSD(T) calculations. Changes in the electron density caused by SICDFT exchange are comparable with those that are associated with HF exchange. Correlation functionals contract the density towards the bond and the valence region, thus taking negative charge out of the van der Waals region where these effects are exaggerated by the influence of the SIE of the correlation functional. Hence, SIC-DFT leads in total to a relatively strong redistribution of negative charge from van der Waals, non-bonding, and valence regions of heavy atoms to the bond regions. These changes, although much stronger, resemble those obtained when comparing the densities of hybrid functionals such as B3LYP with the corresponding GGA functional BLYP. Hence, the balanced mixing of local and non-local exchange and correlation effects as it is achieved by hybrid functionals mimics SIC-DFT and can be considered as an economic way to include some SIC into standard DFT. However, the investigation shows also that the SIC-DFT description of molecules is unreliable because the standard functionals used were optimized for DFT including the SIE.

Global optimization algorithm for heat exchanger networks

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

Quesada, I.; Grossmann, I.E.

This paper deals with the global optimization of heat exchanger networks with fixed topology. It is shown that if linear area cost functions are assumed, as well as arithmetic mean driving force temperature differences in networks with isothermal mixing, the corresponding nonlinear programming (NLP) optimization problem involves linear constraints and a sum of linear fractional functions in the objective which are nonconvex. A rigorous algorithm is proposed that is based on a convex NLP underestimator that involves linear and nonlinear estimators for fractional and bilinear terms which provide a tight lower bound to the global optimum. This NLP problem ismore » used within a spatial branch and bound method for which branching rules are given. Basic properties of the proposed method are presented, and its application is illustrated with several example problems. The results show that the proposed method only requires few nodes in the branch and bound search.« less

Optimizing the parameters of heat transmission in a small heat exchanger with spiral tapes cut as triangles and Aluminum oxide nanofluid using central composite design method

NASA Astrophysics Data System (ADS)

Ghasemi, Nahid; Aghayari, Reza; Maddah, Heydar

2018-07-01

The present study aims at optimizing the heat transmission parameters such as Nusselt number and friction factor in a small double pipe heat exchanger equipped with rotating spiral tapes cut as triangles and filled with aluminum oxide nanofluid. The effects of Reynolds number, twist ratio (y/w), rotating twisted tape and concentration (w%) on the Nusselt number and friction factor are also investigated. The central composite design and the response surface methodology are used for evaluating the responses necessary for optimization. According to the optimal curves, the most optimized value obtained for Nusselt number and friction factor was 146.6675 and 0.06020, respectively. Finally, an appropriate correlation is also provided to achieve the optimal model of the minimum cost. Optimization results showed that the cost has decreased in the best case.

Optimizing the parameters of heat transmission in a small heat exchanger with spiral tapes cut as triangles and Aluminum oxide nanofluid using central composite design method

NASA Astrophysics Data System (ADS)

Ghasemi, Nahid; Aghayari, Reza; Maddah, Heydar

2018-02-01

The present study aims at optimizing the heat transmission parameters such as Nusselt number and friction factor in a small double pipe heat exchanger equipped with rotating spiral tapes cut as triangles and filled with aluminum oxide nanofluid. The effects of Reynolds number, twist ratio (y/w), rotating twisted tape and concentration (w%) on the Nusselt number and friction factor are also investigated. The central composite design and the response surface methodology are used for evaluating the responses necessary for optimization. According to the optimal curves, the most optimized value obtained for Nusselt number and friction factor was 146.6675 and 0.06020, respectively. Finally, an appropriate correlation is also provided to achieve the optimal model of the minimum cost. Optimization results showed that the cost has decreased in the best case.

Semilocal density functional obeying a strongly tightened bound for exchange

PubMed Central

Sun, Jianwei; Perdew, John P.; Ruzsinszky, Adrienn

2015-01-01

Because of its useful accuracy and efficiency, density functional theory (DFT) is one of the most widely used electronic structure theories in physics, materials science, and chemistry. Only the exchange-correlation energy is unknown, and needs to be approximated in practice. Exact constraints provide useful information about this functional. The local spin-density approximation (LSDA) was the first constraint-based density functional. The Lieb–Oxford lower bound on the exchange-correlation energy for any density is another constraint that plays an important role in the development of generalized gradient approximations (GGAs) and meta-GGAs. Recently, a strongly and optimally tightened lower bound on the exchange energy was proved for one- and two-electron densities, and conjectured for all densities. In this article, we present a realistic “meta-GGA made very simple” (MGGA-MVS) for exchange that respects this optimal bound, which no previous beyond-LSDA approximation satisfies. This constraint might have been expected to worsen predicted thermochemical properties, but in fact they are improved over those of the Perdew–Burke–Ernzerhof GGA, which has nearly the same correlation part. MVS exchange is however radically different from that of other GGAs and meta-GGAs. Its exchange enhancement factor has a very strong dependence upon the orbital kinetic energy density, which permits accurate energies even with the drastically tightened bound. When this nonempirical MVS meta-GGA is hybridized with 25% of exact exchange, the resulting global hybrid gives excellent predictions for atomization energies, reaction barriers, and weak interactions of molecules. PMID:25561554

Semilocal density functional obeying a strongly tightened bound for exchange.

PubMed

Sun, Jianwei; Perdew, John P; Ruzsinszky, Adrienn

2015-01-20

Because of its useful accuracy and efficiency, density functional theory (DFT) is one of the most widely used electronic structure theories in physics, materials science, and chemistry. Only the exchange-correlation energy is unknown, and needs to be approximated in practice. Exact constraints provide useful information about this functional. The local spin-density approximation (LSDA) was the first constraint-based density functional. The Lieb-Oxford lower bound on the exchange-correlation energy for any density is another constraint that plays an important role in the development of generalized gradient approximations (GGAs) and meta-GGAs. Recently, a strongly and optimally tightened lower bound on the exchange energy was proved for one- and two-electron densities, and conjectured for all densities. In this article, we present a realistic "meta-GGA made very simple" (MGGA-MVS) for exchange that respects this optimal bound, which no previous beyond-LSDA approximation satisfies. This constraint might have been expected to worsen predicted thermochemical properties, but in fact they are improved over those of the Perdew-Burke-Ernzerhof GGA, which has nearly the same correlation part. MVS exchange is however radically different from that of other GGAs and meta-GGAs. Its exchange enhancement factor has a very strong dependence upon the orbital kinetic energy density, which permits accurate energies even with the drastically tightened bound. When this nonempirical MVS meta-GGA is hybridized with 25% of exact exchange, the resulting global hybrid gives excellent predictions for atomization energies, reaction barriers, and weak interactions of molecules.

Optimization of porous microchannel heat exchanger

NASA Astrophysics Data System (ADS)

Kozhukhov, N. N.; Konovalov, D. A.

2017-11-01

The technical progress in information and communication sphere leads to a sharp increase in the use of radio electronic devices. Functioning of radio electronics is accompanied by release of thermal energy, which must be diverted from the heat-stressed element. Moreover, using of electronics at negative temperatures, on the contrary, requires supply of a certain amount of heat to start the system. There arises the task of creating a system that allows both to supply and to divert the necessary amount of thermal energy. The development of complex thermostabilization systems for radio electronic equipment is due to increasing the efficiency of each of its elements separately. For more efficient operation of a heat exchanger, which directly affects the temperature of the heat-stressed element, it is necessary to calculate the mode characteristics and to take into account the effect of its design parameters. The results of optimizing the microchannel heat exchanger are presented in the article. The target optimization functions are the mass, pressure drop and temperature. The parameters of optimization are the layout of porous fins, their geometric dimensions and coolant flow. For the given conditions, the optimum variant of porous microchannel heat exchanger is selected.

Rethinking exchange market models as optimization algorithms

NASA Astrophysics Data System (ADS)

Luquini, Evandro; Omar, Nizam

2018-02-01

The exchange market model has mainly been used to study the inequality problem. Although the human society inequality problem is very important, the exchange market models dynamics until stationary state and its capability of ranking individuals is interesting in itself. This study considers the hypothesis that the exchange market model could be understood as an optimization procedure. We present herein the implications for algorithmic optimization and also the possibility of a new family of exchange market models

BASIMO - Borehole Heat Exchanger Array Simulation and Optimization Tool

NASA Astrophysics Data System (ADS)

Schulte, Daniel O.; Bastian, Welsch; Wolfram, Rühaak; Kristian, Bär; Ingo, Sass

2017-04-01

Arrays of borehole heat exchangers are an increasingly popular source for renewable energy. Furthermore, they can serve as borehole thermal energy storage (BTES) systems for seasonally fluctuating heat sources like solar thermal energy or district heating grids. The high temperature level of these heat sources prohibits the use of the shallow subsurface for environmental reasons. Therefore, deeper reservoirs have to be accessed instead. The increased depth of the systems results in high investment costs and has hindered the implementation of this technology until now. Therefore, research of medium deep BTES systems relies on numerical simulation models. Current simulation tools cannot - or only to some extent - describe key features like partly insulated boreholes unless they run fully discretized models of the borehole heat exchangers. However, fully discretized models often come at a high computational cost, especially for large arrays of borehole heat exchangers. We give an update on the development of BASIMO: a tool, which uses one dimensional thermal resistance and capacity models for the borehole heat exchangers coupled with a numerical finite element model for the subsurface heat transport in a dual-continuum approach. An unstructured tetrahedral mesh bypasses the limitations of structured grids for borehole path geometries, while the thermal resistance and capacity model is improved to account for borehole heat exchanger properties changing with depth. Thereby, partly insulated boreholes can be considered in the model. Furthermore, BASIMO can be used to improve the design of BTES systems: the tool allows for automated parameter variations and is readily coupled to other code like mathematical optimization algorithms. Optimization can be used to determine the required minimum system size or to increase the system performance.

Surface calculations with asymptotically long-ranged potentials in the full-potential linearized augmented plane-wave method

NASA Astrophysics Data System (ADS)

Ye, Lin-Hui

2015-09-01

Although the supercell method has been widely used for surface calculations, it only works well with short-ranged potentials, but meets difficulty when the potential decays very slowly into the vacuum. Unfortunately, the exact exchange-correlation potential of the density functional theory is asymptotically long ranged, and therefore is not easily handled by use of supercells. This paper illustrates that the authentic slab geometry, another technique for surface calculations, is not affected by this issue: It works equally well with both short- and long-ranged potentials, with the computational cost and the convergence speed being essentially the same. Using the asymptotically long-ranged Becke-Roussel'89 exchange potential as an example, we have calculated six surfaces of various types. We found that accurate potential values can be obtained even in extremely low density regions of more than 100 Å away from the surface. This high performance allows us to explore the asymptotic region, and prove with clean numerical evidence that the Becke-Roussel'89 potential satisfies the correct asymptotic behavior for slab surfaces, as it does for finite systems. Our finding further implies that the Slater component of the exact exchange optimized effective potential is responsible for the asymptotic behavior, not only for jellium slabs, but for slabs of any type. The Becke-Roussel'89 potential may therefore be used to build asymptotically correct model exchange potentials applicable to both finite systems and slab surfaces.

Performance optimization of a miniature Joule-Thomson cryocooler using numerical model

NASA Astrophysics Data System (ADS)

Ardhapurkar, P. M.; Atrey, M. D.

2014-09-01

The performance of a miniature Joule-Thomson cryocooler depends on the effectiveness of the heat exchanger. The heat exchanger used in such cryocooler is Hampson-type recuperative heat exchanger. The design of the efficient heat exchanger is crucial for the optimum performance of the cryocooler. In the present work, the heat exchanger is numerically simulated for the steady state conditions and the results are validated against the experimental data available from the literature. The area correction factor is identified for the calculation of effective heat transfer area which takes into account the effect of helical geometry. In order to get an optimum performance of the cryocoolers, operating parameters like mass flow rate, pressure and design parameters like heat exchanger length, helical diameter of coil, fin dimensions, fin density have to be identified. The present work systematically addresses this aspect of design for miniature J-T cryocooler.

Optimization of Heat Exchangers with Dimpled Surfaces to Improve the Performance in Thermoelectric Generators Using a Kriging Model

NASA Astrophysics Data System (ADS)

Li, Shuai; Wang, Yiping; Wang, Tao; Yang, Xue; Deng, Yadong; Su, Chuqi

2017-05-01

Thermoelectric generators (TEGs) have become a topic of interest for vehicle exhaust energy recovery. Electrical power generation is deeply influenced by temperature differences, temperature uniformity and topological structures of TEGs. When the dimpled surfaces are adopted in heat exchangers, the heat transfer rates can be augmented with a minimal pressure drop. However, the temperature distribution shows a large gradient along the flow direction which has adverse effects on the power generation. In the current study, the heat exchanger performance was studied in a computational fluid dynamics (CFD) model. The dimple depth, dimple print diameter, and channel height were chosen as design variables. The objective function was defined as a combination of average temperature, temperature uniformity and pressure loss. The optimal Latin hypercube method was used to determine the experiment points as a method of design of the experiment in order to analyze the sensitivity of the design variables. A Kriging surrogate model was built and verified according to the database resulting from the CFD simulation. A multi-island genetic algorithm was used to optimize the structure in the heat exchanger based on the surrogate model. The results showed that the average temperature of the heat exchanger was most sensitive to the dimple depth. The pressure loss and temperature uniformity were most sensitive to the parameter of channel rear height, h 2. With an optimal design of channel structure, the temperature uniformity can be greatly improved compared with the initial exchanger, and the additional pressure loss also increased.

Tailoring of the soft magnetic property and uniaxial anisotropy of magnetostrictive films by interlayer

NASA Astrophysics Data System (ADS)

Wen, Dandan; Bai, Feiming; Wang, Yicheng; Zhong, Zhiyong; Zhang, Huaiwu

2013-05-01

Laminated amorphous FeSiBC films with various spacer layers, including Cu, Co0.45Cu0.55, Co0.8Cu0.2, and CoFe, were prepared in order to study the effect of interface structure and magnetic exchange interaction on the magnetic softness and uniaxial anisotropy of multilayered film. It is found that laminating FeSiBC film with thin nonmagnetic or weak magnetic spacers yields much lower coercivity and higher remanent magnetization than those with magnetic spacers. Optimal films with the desired properties of Hc ˜ 1.5 Oe, Mr/Ms = 95%, and Hk ˜ 16 Oe were obtained. Therefore, it is confirmed that the exchange interaction constant of spacer layer plays a more important role than that of interface structure. Furthermore, laminating FeSiBC with nonmagnetic layers only slightly changes magnetostrictive coefficient.

Recent Experiences in Multidisciplinary Analysis and Optimization, part 1

NASA Technical Reports Server (NTRS)

Sobieski, J. (Compiler)

1984-01-01

Papers presented at the NASA Symposium on Recent Experiences in Multidisciplinary Analysis and Optimization held at NASA Langley Research Center, Hampton, Virginia April 24 to 26, 1984 are given. The purposes of the symposium were to exchange information about the status of the application of optimization and associated analyses in industry or research laboratories to real life problems and to examine the directions of future developments. Information exchange has encompassed the following: (1) examples of successful applications; (2) attempt and failure examples; (3) identification of potential applications and benefits; (4) synergistic effects of optimized interaction and trade-offs occurring among two or more engineering disciplines and/or subsystems in a system; and (5) traditional organization of a design process as a vehicle for or an impediment to the progress in the design methodology.

Improving approximate-optimized effective potentials by imposing exact conditions: Theory and applications to electronic statics and dynamics

NASA Astrophysics Data System (ADS)

Kurzweil, Yair; Head-Gordon, Martin

2009-07-01

We develop a method that can constrain any local exchange-correlation potential to preserve basic exact conditions. Using the method of Lagrange multipliers, we calculate for each set of given Kohn-Sham orbitals a constraint-preserving potential which is closest to the given exchange-correlation potential. The method is applicable to both the time-dependent (TD) and independent cases. The exact conditions that are enforced for the time-independent case are Galilean covariance, zero net force and torque, and Levy-Perdew virial theorem. For the time-dependent case we enforce translational covariance, zero net force, Levy-Perdew virial theorem, and energy balance. We test our method on the exchange (only) Krieger-Li-Iafrate (xKLI) approximate-optimized effective potential for both cases. For the time-independent case, we calculated the ground state properties of some hydrogen chains and small sodium clusters for some constrained xKLI potentials and Hartree-Fock (HF) exchange. The results (total energy, Kohn-Sham eigenvalues, polarizability, and hyperpolarizability) indicate that enforcing the exact conditions is not important for these cases. On the other hand, in the time-dependent case, constraining both energy balance and zero net force yields improved results relative to TDHF calculations. We explored the electron dynamics in small sodium clusters driven by cw laser pulses. For each laser pulse we compared calculations from TD constrained xKLI, TD partially constrained xKLI, and TDHF. We found that electron dynamics such as electron ionization and moment of inertia dynamics for the constrained xKLI are most similar to the TDHF results. Also, energy conservation is better by at least one order of magnitude with respect to the unconstrained xKLI. We also discuss the problems that arise in satisfying constraints in the TD case with a non-cw driving force.

Exchangeability in the case-crossover design

PubMed Central

Mittleman, Murray A; Mostofsky, Elizabeth

2014-01-01

In cohort and case-control studies, confounding that arises as a result of differences in the distribution of determinants of the outcome between exposure groups leading to non-exchangeability are addressed by restriction, matching or with statistical models. In case-only studies, this issue is addressed by comparing each individual with his/herself. Although case-only designs use self-matching and only include individuals who develop the outcome of interest, issues of non-exchangeability are identical to those that arise in traditional case-control and cohort studies. In this review, we describe one type of case-only design, the case-crossover design, and discuss how the concept of exchangeability can be used to understand issues of confounding, carryover effects, period effects and selection bias in case-crossover studies. PMID:24756878

How hot? Systematic convergence of the replica exchange method using multiple reservoirs.

PubMed

Ruscio, Jory Z; Fawzi, Nicolas L; Head-Gordon, Teresa

2010-02-01

We have devised a systematic approach to converge a replica exchange molecular dynamics simulation by dividing the full temperature range into a series of higher temperature reservoirs and a finite number of lower temperature subreplicas. A defined highest temperature reservoir of equilibrium conformations is used to help converge a lower but still hot temperature subreplica, which in turn serves as the high-temperature reservoir for the next set of lower temperature subreplicas. The process is continued until an optimal temperature reservoir is reached to converge the simulation at the target temperature. This gradual convergence of subreplicas allows for better and faster convergence at the temperature of interest and all intermediate temperatures for thermodynamic analysis, as well as optimizing the use of multiple processors. We illustrate the overall effectiveness of our multiple reservoir replica exchange strategy by comparing sampling and computational efficiency with respect to replica exchange, as well as comparing methods when converging the structural ensemble of the disordered Abeta(21-30) peptide simulated with explicit water by comparing calculated Rotating Overhauser Effect Spectroscopy intensities to experimentally measured values. Copyright 2009 Wiley Periodicals, Inc.

On optimizing the treatment of exchange perturbations

NASA Technical Reports Server (NTRS)

Hirschfelder, J. O.; Chipman, D. M.

1972-01-01

A method using the zeroth plus first order wave functions, obtained by optimizing the basic equation used in exchange perturbation treatments, is utilized in an attempt to determine the exact energy and wave function in the exchange process. Attempts to determine the first order perturbation solution by optimizing the sum of the first and second order energies were unsuccessful.

DQM: Decentralized Quadratically Approximated Alternating Direction Method of Multipliers

NASA Astrophysics Data System (ADS)

Mokhtari, Aryan; Shi, Wei; Ling, Qing; Ribeiro, Alejandro

2016-10-01

This paper considers decentralized consensus optimization problems where nodes of a network have access to different summands of a global objective function. Nodes cooperate to minimize the global objective by exchanging information with neighbors only. A decentralized version of the alternating directions method of multipliers (DADMM) is a common method for solving this category of problems. DADMM exhibits linear convergence rate to the optimal objective but its implementation requires solving a convex optimization problem at each iteration. This can be computationally costly and may result in large overall convergence times. The decentralized quadratically approximated ADMM algorithm (DQM), which minimizes a quadratic approximation of the objective function that DADMM minimizes at each iteration, is proposed here. The consequent reduction in computational time is shown to have minimal effect on convergence properties. Convergence still proceeds at a linear rate with a guaranteed constant that is asymptotically equivalent to the DADMM linear convergence rate constant. Numerical results demonstrate advantages of DQM relative to DADMM and other alternatives in a logistic regression problem.

Exact exchange potential evaluated from occupied Kohn-Sham and Hartree-Fock solutions

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

Cinal, M.; Holas, A.

2011-06-15

The reported algorithm determines the exact exchange potential v{sub x} in an iterative way using energy shifts (ESs) and orbital shifts (OSs) obtained with finite-difference formulas from the solutions (occupied orbitals and their energies) of the Hartree-Fock-like equation and the Kohn-Sham-like equation, the former used for the initial approximation to v{sub x} and the latter for increments of ES and OS due to subsequent changes of v{sub x}. Thus, the need for solution of the differential equations for OSs, used by Kuemmel and Perdew [Phys. Rev. Lett. 90, 043004 (2003)], is bypassed. The iterated exchange potential, expressed in terms ofmore » ESs and OSs, is improved by modifying ESs at odd iteration steps and OSs at even steps. The modification formulas are related to the optimized-effective-potential equation (satisfied at convergence) written as the condition of vanishing density shift (DS). They are obtained, respectively, by enforcing its satisfaction through corrections to approximate OSs and by determining the optimal ESs that minimize the DS norm. The proposed method, successfully tested for several closed-(sub)shell atoms, from Be to Kr, within the density functional theory exchange-only approximation, proves highly efficient. The calculations using the pseudospectral method for representing orbitals give iterative sequences of approximate exchange potentials (starting with the Krieger-Li-Iafrate approximation) that rapidly approach the exact v{sub x} so that, for Ne, Ar, and Zn, the corresponding DS norm becomes less than 10{sup -6} after 13, 13, and 9 iteration steps for a given electron density. In self-consistent density calculations, orbital energies of 10{sup -4} hartree accuracy are obtained for these atoms after, respectively, 9, 12, and 12 density iteration steps, each involving just two steps of v{sub x} iteration, while the accuracy limit of 10{sup -6} to 10{sup -7} hartree is reached after 20 density iterations.« less

Exact exchange potential evaluated from occupied Kohn-Sham and Hartree-Fock solutions

NASA Astrophysics Data System (ADS)

Cinal, M.; Holas, A.

2011-06-01

The reported algorithm determines the exact exchange potential vx in an iterative way using energy shifts (ESs) and orbital shifts (OSs) obtained with finite-difference formulas from the solutions (occupied orbitals and their energies) of the Hartree-Fock-like equation and the Kohn-Sham-like equation, the former used for the initial approximation to vx and the latter for increments of ES and OS due to subsequent changes of vx. Thus, the need for solution of the differential equations for OSs, used by Kümmel and Perdew [Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.90.043004 90, 043004 (2003)], is bypassed. The iterated exchange potential, expressed in terms of ESs and OSs, is improved by modifying ESs at odd iteration steps and OSs at even steps. The modification formulas are related to the optimized-effective-potential equation (satisfied at convergence) written as the condition of vanishing density shift (DS). They are obtained, respectively, by enforcing its satisfaction through corrections to approximate OSs and by determining the optimal ESs that minimize the DS norm. The proposed method, successfully tested for several closed-(sub)shell atoms, from Be to Kr, within the density functional theory exchange-only approximation, proves highly efficient. The calculations using the pseudospectral method for representing orbitals give iterative sequences of approximate exchange potentials (starting with the Krieger-Li-Iafrate approximation) that rapidly approach the exact vx so that, for Ne, Ar, and Zn, the corresponding DS norm becomes less than 10-6 after 13, 13, and 9 iteration steps for a given electron density. In self-consistent density calculations, orbital energies of 10-4 hartree accuracy are obtained for these atoms after, respectively, 9, 12, and 12 density iteration steps, each involving just two steps of vx iteration, while the accuracy limit of 10-6 to 10-7 hartree is reached after 20 density iterations.

Enhancing the performance of exchange-only qubits in triple-quantum-dots

NASA Astrophysics Data System (ADS)

Fei, Jianjia; Hung, Jo-Tzu; Koh, Teck Seng; Shim, Yun-Pil; Coppersmith, Susan; Hu, Xuedong; Friesen, Mark

2014-03-01

The exchange-only qubit has several potential advantages for quantum computation: all-electrical control, fast gate operations, and robustness against global magnetic noise. Such a device has recently been implemented in a GaAs triple-quantum-dot. In this talk, we discuss theoretical simulations of the fidelity of pulsed gate operations of the exchange-only qubit, based on a master equation approach. Our model accounts for several different dephasing mechanisms, including hyperfine interactions and charge noise arising from double-occupation errors and fluctuations of the detuning parameter. Our investigations indicate the optimal working regimes and maximum gate fidelities for these devices, in terms of experimentally tunable parameters. This work was supported by the Army Research Office, the National Science Foundation, and the United States Department of Defense. The views and conclusions contained in this document are those of the authors and should not be interpreted as representing the official policies, either expressly or implied, of the US Government. This work was supported by the Army Research Office, the National Science Foundation, and the United States Department of Defense.

Reduction of fine particle emissions from wood combustion with optimized condensing heat exchangers.

PubMed

Gröhn, Arto; Suonmaa, Valtteri; Auvinen, Ari; Lehtinen, Kari E J; Jokiniemi, Jorma

2009-08-15

In this study, we designed and built a condensing heat exchanger capable of simultaneous fine particle emission reduction and waste heat recovery. The deposition mechanisms inside the heat exchanger prototype were maximized using a computer model which was later compared to actual measurements. The main deposition mechanisms were diffusio- and thermophoresis which have previously been examined in similar conditions only separately. The obtained removal efficiency in the experiments was measured in the total number concentration and ranged between 26 and 40% for the given pellet stove and the heat exchanger. Size distributions and number concentrations were measured with a TSI Fast mobility particle sizer (FMPS). The computer model predicts that there exists a specific upper limit for thermo- and diffusiophoretic deposition for each temperature and water vapor concentration in the flue gas.

Lead Removal From Synthetic Leachate Matrices by a Novel Ion-Exchange Material

NASA Technical Reports Server (NTRS)

Street, Kenneth W., Jr.; Hovanitz, Edward S.; Chi, Sulan

2002-01-01

This report discusses the application of a novel polyacrylate-based ion-exchange material (IEM) for the removal of lead (Pb) ions from water. Preliminary testing includes the establishment of the operating pH range, capacity information, and the effect of calcium and anions in the matrix. Batch testing with powder indicates slightly different optimal operational conditions from those used for column testing. The ion exchanger is excellent for removing lead from aqueous solutions.

Capital dissipation minimization for a class of complex irreversible resource exchange processes

NASA Astrophysics Data System (ADS)

Xia, Shaojun; Chen, Lingen

2017-05-01

A model of a class of irreversible resource exchange processes (REPes) between a firm and a producer with commodity flow leakage from the producer to a competitive market is established in this paper. The REPes are assumed to obey the linear commodity transfer law (LCTL). Optimal price paths for capital dissipation minimization (CDM) (it can measure economic process irreversibility) are obtained. The averaged optimal control theory is used. The optimal REP strategy is also compared with other strategies, such as constant-firm-price operation and constant-commodity-flow operation, and effects of the amount of commodity transferred and the commodity flow leakage on the optimal REP strategy are also analyzed. The commodity prices of both the producer and the firm for the CDM of the REPes with commodity flow leakage change with the time exponentially.

Optimizations of geothermal cycle shell and tube exchangers of various configurations with variable fluid properties and site specific fouling. [SIZEHX

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

Pope, W.L.; Pines, H.S.; Silvester, L.F.

1978-03-01

A new heat exchanger program, SIZEHX, is described. This program allows single step multiparameter cost optimizations on single phase or supercritical exchanger arrays with variable properties and arbitrary fouling for a multitude of matrix configurations and fluids. SIZEHX uses a simplified form of Tinker's method for characterization of shell side performance; the Starling modified BWR equation for thermodynamic properties of hydrocarbons; and transport properties developed by NBS. Results of four parameter cost optimizations on exchangers for specific geothermal applications are included. The relative mix of capital cost, pumping cost, and brine cost ($/Btu) is determined for geothermal exchangers illustrating themore » invariant nature of the optimal cost distribution for fixed unit costs.« less

The Role of Cooperation and Information Exchange in Transnational River Basins: the Zambezi River case

NASA Astrophysics Data System (ADS)

Castelletti, A.; Giuliani, M.; Soncini-Sessa, R.

2012-12-01

The presence of multiple, institutionally independent but physically interconnected decision-makers is a distinctive features of many water resources systems, especially of transnational river basins. The adoption of a centralized approach to study the optimal operation of these systems, as mostly done in the water resources literature, is conceptually interesting to quantify the best achievable performance, but of little practical impact given the real political and institutional setting. Centralized management indeed assumes a cooperative attitude and full information exchange by the involved parties. However, when decision-makers belong to different countries or institutions, it is very likely that they act considering only their local objectives, producing global externalities that negatively impact on other objectives. In this work we adopt a Multi-Agent Systems framework, which naturally allows to represent a set of self-interested agents (decision-makers and/or stakeholders) acting in a distributed decision-making process. According to this agent-based approach, each agent represents a decision-maker, whose decisions are defined by an explicit optimization problem considering only the agent's local interests. In particular, this work assesses the role of information exchange and increasing level of cooperation among originally non-cooperative agents. The Zambezi River basin is used to illustrate the methodology: the four largest reservoirs in the basin (Ithezhithezhi, Kafue-Gorge, Kariba and Cahora Bassa) are mainly operated for maximizing the economic revenue from hydropower energy production with considerably negative effects on the aquatic ecosystem in the Zambezi delta due to the alteration of the natural flow regime. We comparatively analyse the ideal centralized solution and the current situation where all the decision-makers act independently and non-cooperatively. Indeed, although a new basin-level institution called Zambezi Watercourse Commission (ZAMCON) should be established in the next future, Zambia recently refused to sign and ratify the ZAMCON Protocol and the road toward a fully cooperative framework is still long. Results show that increasing levels of information exchange can help in mitigating the conflict generated by a non-cooperative setting as it allows the downstream agents, i.e. Mozambique country, to better adapt to the upstream management strategies. Furthermore, the role of information exchange depends on the considered objectives and it is particularly relevant for environmental interests.

A distributed algorithm for machine learning

NASA Astrophysics Data System (ADS)

Chen, Shihong

2018-04-01

This paper considers a distributed learning problem in which a group of machines in a connected network, each learning its own local dataset, aim to reach a consensus at an optimal model, by exchanging information only with their neighbors but without transmitting data. A distributed algorithm is proposed to solve this problem under appropriate assumptions.

Heat exchangers in regenerative gas turbine cycles

NASA Astrophysics Data System (ADS)

Nina, M. N. R.; Aguas, M. P. N.

1985-09-01

Advances in compact heat exchanger design and fabrication together with fuel cost rises continuously improve the attractability of regenerative gas turbine helicopter engines. In this study cycle parameters aiming at reduced specific fuel consumption and increased payload or mission range, have been optimized together with heat exchanger type and size. The discussion is based on a typical mission for an attack helicopter in the 900 kw power class. A range of heat exchangers is studied to define the most favorable geometry in terms of lower fuel consumption and minimum engine plus fuel weight. Heat exchanger volume, frontal area ratio and pressure drop effect on cycle efficiency are considered.

Giant perpendicular exchange bias with antiferromagnetic MnN

NASA Astrophysics Data System (ADS)

Zilske, P.; Graulich, D.; Dunz, M.; Meinert, M.

2017-05-01

We investigated an out-of-plane exchange bias system that is based on the antiferromagnet MnN. Polycrystalline, highly textured film stacks of Ta/MnN/CoFeB/MgO/Ta were grown on SiOx by (reactive) magnetron sputtering and studied by x-ray diffraction and Kerr magnetometry. Nontrivial modifications of the exchange bias and the perpendicular magnetic anisotropy were observed as functions of both film thicknesses and field cooling temperatures. In optimized film stacks, a giant perpendicular exchange bias of 3600 Oe and a coercive field of 350 Oe were observed at room temperature. The effective interfacial exchange energy is estimated to be Jeff = 0.24 mJ/m2 and the effective uniaxial anisotropy constant of the antiferromagnet is Keff = 24 kJ/m3. The maximum effective perpendicular anisotropy field of the CoFeB layer is Hani = 3400 Oe. These values are larger than any previously reported values. These results possibly open a route to magnetically stable, exchange biased perpendicularly magnetized spin valves.

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

Ermanoski, Ivan; Orozco, Adrian

In this report we present the development of a packed particle bed recirculator and heat exchanger. The device is intended to create countercurrent flows of packed particle beds and exchange heat between the flows. The project focused on the design, fabrication, demonstration, and modifications of a simple prototype, in order to attain high levels of heat exchange between particle flows while maintaining an effective particle conveying rate in a scalable package. Despite heat losses in a package not optimized for heat retention, 50% heat recovery was achieved, at a particle conveying efficiency of 40%.

SLC26 anion exchangers of guinea pig pancreatic duct: molecular cloning and functional characterization

PubMed Central

Stewart, Andrew K.; Shmukler, Boris E.; Vandorpe, David H.; Reimold, Fabian; Heneghan, John F.; Nakakuki, M.; Akhavein, Arash; Ko, Shigeru; Ishiguro, Hiroshi

2011-01-01

The secretin-stimulated human pancreatic duct secretes HCO3−-rich fluid essential for normal digestion. Optimal stimulation of pancreatic HCO3− secretion likely requires coupled activities of the cystic fibrosis transmembrane regulator (CFTR) anion channel and apical SLC26 Cl−/HCO3− exchangers. However, whereas stimulated human and guinea pig pancreatic ducts secrete ∼140 mM HCO3− or more, mouse and rat ducts secrete ∼40–70 mM HCO3−. Moreover, the axial distribution and physiological roles of SLC26 anion exchangers in pancreatic duct secretory processes remain controversial and may vary among mammalian species. Thus the property of high HCO3− secretion shared by human and guinea pig pancreatic ducts prompted us to clone from guinea pig pancreatic duct cDNAs encoding Slc26a3, Slc26a6, and Slc26a11 polypeptides. We then functionally characterized these anion transporters in Xenopus oocytes and human embryonic kidney (HEK) 293 cells. In Xenopus oocytes, gpSlc26a3 mediated only Cl−/Cl− exchange and electroneutral Cl−/HCO3− exchange. gpSlc26a6 in Xenopus oocytes mediated Cl−/Cl− exchange and bidirectional exchange of Cl− for oxalate and sulfate, but Cl−/HCO3− exchange was detected only in HEK 293 cells. gpSlc26a11 in Xenopus oocytes exhibited pH-dependent Cl−, oxalate, and sulfate transport but no detectable Cl−/HCO3− exchange. The three gpSlc26 anion transporters exhibited distinct pharmacological profiles of 36Cl− influx, including partial sensitivity to CFTR inhibitors Inh-172 and GlyH101, but only Slc26a11 was inhibited by PPQ-102. This first molecular and functional assessment of recombinant SLC26 anion transporters from guinea pig pancreatic duct enhances our understanding of pancreatic HCO3− secretion in species that share a high HCO3− secretory output. PMID:21593449

Collaborative emitter tracking using Rao-Blackwellized random exchange diffusion particle filtering

NASA Astrophysics Data System (ADS)

Bruno, Marcelo G. S.; Dias, Stiven S.

2014-12-01

We introduce in this paper the fully distributed, random exchange diffusion particle filter (ReDif-PF) to track a moving emitter using multiple received signal strength (RSS) sensors. We consider scenarios with both known and unknown sensor model parameters. In the unknown parameter case, a Rao-Blackwellized (RB) version of the random exchange diffusion particle filter, referred to as the RB ReDif-PF, is introduced. In a simulated scenario with a partially connected network, the proposed ReDif-PF outperformed a PF tracker that assimilates local neighboring measurements only and also outperformed a linearized random exchange distributed extended Kalman filter (ReDif-EKF). Furthermore, the novel ReDif-PF matched the tracking error performance of alternative suboptimal distributed PFs based respectively on iterative Markov chain move steps and selective average gossiping with an inter-node communication cost that is roughly two orders of magnitude lower than the corresponding cost for the Markov chain and selective gossip filters. Compared to a broadcast-based filter which exactly mimics the optimal centralized tracker or its equivalent (exact) consensus-based implementations, ReDif-PF showed a degradation in steady-state error performance. However, compared to the optimal consensus-based trackers, ReDif-PF is better suited for real-time applications since it does not require iterative inter-node communication between measurement arrivals.

Design and simulation of heat exchangers using Aspen HYSYS, and Aspen exchanger design and rating for paddy drying application

NASA Astrophysics Data System (ADS)

Janaun, J.; Kamin, N. H.; Wong, K. H.; Tham, H. J.; Kong, V. V.; Farajpourlar, M.

2016-06-01

Air heating unit is one of the most important parts in paddy drying to ensure the efficiency of a drying process. In addition, an optimized air heating unit does not only promise a good paddy quality, but also save more for the operating cost. This study determined the suitable and best specifications heating unit to heat air for paddy drying in the LAMB dryer. In this study, Aspen HYSYS v7.3 was used to obtain the minimum flow rate of hot water needed. The resulting data obtained from Aspen HYSYS v7.3 were used in Aspen Exchanger Design and Rating (EDR) to generate heat exchanger design and costs. The designs include shell and tubes and plate heat exchanger. The heat exchanger was designed in order to produce various drying temperatures of 40, 50, 60 and 70°C of air with different flow rate, 300, 2500 and 5000 LPM. The optimum condition for the heat exchanger were found to be plate heat exchanger with 0.6 mm plate thickness, 198.75 mm plate width, 554.8 mm plate length and 11 numbers of plates operating at 5000 LPM air flow rate.

Refrigerant Performance Evaluation Including Effects of Transport Properties and Optimized Heat Exchangers.

PubMed

Brignoli, Riccardo; Brown, J Steven; Skye, H; Domanski, Piotr A

2017-08-01

Preliminary refrigerant screenings typically rely on using cycle simulation models involving thermodynamic properties alone. This approach has two shortcomings. First, it neglects transport properties, whose influence on system performance is particularly strong through their impact on the performance of the heat exchangers. Second, the refrigerant temperatures in the evaporator and condenser are specified as input, while real-life equipment operates at imposed heat sink and heat source temperatures; the temperatures in the evaporator and condensers are established based on overall heat transfer resistances of these heat exchangers and the balance of the system. The paper discusses a simulation methodology and model that addresses the above shortcomings. This model simulates the thermodynamic cycle operating at specified heat sink and heat source temperature profiles, and includes the ability to account for the effects of thermophysical properties and refrigerant mass flux on refrigerant heat transfer and pressure drop in the air-to-refrigerant evaporator and condenser. Additionally, the model can optimize the refrigerant mass flux in the heat exchangers to maximize the Coefficient of Performance. The new model is validated with experimental data and its predictions are contrasted to those of a model based on thermodynamic properties alone.

Instrumentation for cryogenic magic angle spinning dynamic nuclear polarization using 90 L of liquid nitrogen per day

NASA Astrophysics Data System (ADS)

Albert, Brice J.; Pahng, Seong Ho; Alaniva, Nicholas; Sesti, Erika L.; Rand, Peter W.; Saliba, Edward P.; Scott, Faith J.; Choi, Eric J.; Barnes, Alexander B.

2017-10-01

Cryogenic sample temperatures can enhance NMR sensitivity by extending spin relaxation times to improve dynamic nuclear polarization (DNP) and by increasing Boltzmann spin polarization. We have developed an efficient heat exchanger with a liquid nitrogen consumption rate of only 90 L per day to perform magic-angle spinning (MAS) DNP experiments below 85 K. In this heat exchanger implementation, cold exhaust gas from the NMR probe is returned to the outer portion of a counterflow coil within an intermediate cooling stage to improve cooling efficiency of the spinning and variable temperature gases. The heat exchange within the counterflow coil is calculated with computational fluid dynamics to optimize the heat transfer. Experimental results using the novel counterflow heat exchanger demonstrate MAS DNP signal enhancements of 328 ± 3 at 81 ± 2 K, and 276 ± 4 at 105 ± 2 K.

Centerband-only-detection-of-exchange (31)P nuclear magnetic resonance and phospholipid lateral diffusion: theory, simulation and experiment.

PubMed

Lai, Angel; Saleem, Qasim; Macdonald, Peter M

2015-10-14

Centerband-only-detection-of-exchange (CODEX) (31)P NMR lateral diffusion measurements were performed on dimyristoylphosphatidylcholine (DMPC) assembled into large unilamellar spherical vesicles. Optimization of sample and NMR acquisition conditions provided significant sensitivity enhancements relative to an earlier first report (Q. Saleem, A. Lai, H. Morales, and P. M. Macdonald, Chem. Phys. Lipids, 2012, 165, 721). An analytical description was developed that permitted the extraction of lateral diffusion coefficients from CODEX data, based on a Gaussian-diffusion-on-a-sphere model (A. Ghosh, J. Samuel, and S. Sinha, Europhys. Lett., 2012, 98, 30003-p1) as relevant to CODEX (31)P NMR measurements on a population of spherical unilamellar phospholipid bilayer vesicles displaying a distribution of vesicle radii.

Spin-state transfer in laterally coupled quantum-dot chains with disorders

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

Yang Song; Key Laboratory of Quantum Information, University of Science and Technology of China, Hefei 230026; Bayat, Abolfazl

2010-08-15

Quantum dot arrays are a promising medium for transferring quantum information between two distant points without resorting to mobile qubits. Here we study the two most common disorders, namely hyperfine interaction and exchange coupling fluctuations, in quantum dot arrays and their effects on quantum communication through these chains. Our results show that the hyperfine interaction is more destructive than the exchange coupling fluctuations. The average optimal time for communication is not affected by any disorder in the system and our simulations show that antiferromagnetic chains are much more resistive than the ferromagnetic ones against both kind of disorders. Even whenmore » time modulation of a coupling and optimal control is employed to improve the transmission, the antiferromagnetic chain performs much better. We have assumed the quasistatic approximation for hyperfine interaction and time-dependent fluctuations in the exchange couplings. Particularly for studying exchange coupling fluctuations we have considered the static disorder, white noise, and 1/f noise.« less

Cooperative Optimal Coordination for Distributed Energy Resources

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

Yang, Tao; Wu, Di; Ren, Wei

In this paper, we consider the optimal coordination problem for distributed energy resources (DERs) including distributed generators and energy storage devices. We propose an algorithm based on the push-sum and gradient method to optimally coordinate storage devices and distributed generators in a distributed manner. In the proposed algorithm, each DER only maintains a set of variables and updates them through information exchange with a few neighbors over a time-varying directed communication network. We show that the proposed distributed algorithm solves the optimal DER coordination problem if the time-varying directed communication network is uniformly jointly strongly connected, which is a mildmore » condition on the connectivity of communication topologies. The proposed distributed algorithm is illustrated and validated by numerical simulations.« less

Improved durability of proton exchange membrane fuel cells by introducing Sn (IV) oxide into electrodes using an ion exchange method

NASA Astrophysics Data System (ADS)

Poulsen, M. G.; Larsen, M. J.; Andersen, S. M.

2017-03-01

Electrodes of Proton Exchange Membrane Fuel Cells (PEMFCs), consisting of catalyst-coated gas diffusion layers, were subjected to an optimized ion exchange procedure, in which tin (IV) oxide (SnO2) nanoparticles were introduced into them. Both methanol and sulfuric acid were tested as ion exchange solvents. SnO2 has previously been shown to exhibit radical scavenging abilities towards radicals inside the electrocatalyst layers. Its presence inside the electrodes was confirmed using X-ray photoelectron spectroscopy and X-ray fluorescence. After exposure to an accelerated stress test in a three-electrode setup, the electrodes containing SnO2 were found to have retained approximately 73.0% of their original Pt, while only 53.2% was retained in electrodes treated identically, but without Sn. Similarly, the SnO2-treated electrodes also experienced a smaller loss in electrochemical surface area in comparison to before the accelerated stress test. A membrane electrode assembly (MEA) constructed with a SnO2-containing anode was evaluated over 500 h. The results showed remarkably reduced OCV decay rate and end of test hydrogen crossover compared to the control MEA, indicating that SnO2 aids in impeding membrane thinning and pinhole formation. The results point toward a positive effect of SnO2 on fuel cell durability, by reducing the degradation of the membrane as well as of the ionomer in the electrocatalyst layer.

Unified superresolution experiments and stochastic theory provide mechanistic insight into protein ion-exchange adsorptive separations

PubMed Central

Kisley, Lydia; Chen, Jixin; Mansur, Andrea P.; Shuang, Bo; Kourentzi, Katerina; Poongavanam, Mohan-Vivekanandan; Chen, Wen-Hsiang; Dhamane, Sagar; Willson, Richard C.; Landes, Christy F.

2014-01-01

Chromatographic protein separations, immunoassays, and biosensing all typically involve the adsorption of proteins to surfaces decorated with charged, hydrophobic, or affinity ligands. Despite increasingly widespread use throughout the pharmaceutical industry, mechanistic detail about the interactions of proteins with individual chromatographic adsorbent sites is available only via inference from ensemble measurements such as binding isotherms, calorimetry, and chromatography. In this work, we present the direct superresolution mapping and kinetic characterization of functional sites on ion-exchange ligands based on agarose, a support matrix routinely used in protein chromatography. By quantifying the interactions of single proteins with individual charged ligands, we demonstrate that clusters of charges are necessary to create detectable adsorption sites and that even chemically identical ligands create adsorption sites of varying kinetic properties that depend on steric availability at the interface. Additionally, we relate experimental results to the stochastic theory of chromatography. Simulated elution profiles calculated from the molecular-scale data suggest that, if it were possible to engineer uniform optimal interactions into ion-exchange systems, separation efficiencies could be improved by as much as a factor of five by deliberately exploiting clustered interactions that currently dominate the ion-exchange process only accidentally. PMID:24459184

Unified superresolution experiments and stochastic theory provide mechanistic insight into protein ion-exchange adsorptive separations.

PubMed

Kisley, Lydia; Chen, Jixin; Mansur, Andrea P; Shuang, Bo; Kourentzi, Katerina; Poongavanam, Mohan-Vivekanandan; Chen, Wen-Hsiang; Dhamane, Sagar; Willson, Richard C; Landes, Christy F

2014-02-11

Chromatographic protein separations, immunoassays, and biosensing all typically involve the adsorption of proteins to surfaces decorated with charged, hydrophobic, or affinity ligands. Despite increasingly widespread use throughout the pharmaceutical industry, mechanistic detail about the interactions of proteins with individual chromatographic adsorbent sites is available only via inference from ensemble measurements such as binding isotherms, calorimetry, and chromatography. In this work, we present the direct superresolution mapping and kinetic characterization of functional sites on ion-exchange ligands based on agarose, a support matrix routinely used in protein chromatography. By quantifying the interactions of single proteins with individual charged ligands, we demonstrate that clusters of charges are necessary to create detectable adsorption sites and that even chemically identical ligands create adsorption sites of varying kinetic properties that depend on steric availability at the interface. Additionally, we relate experimental results to the stochastic theory of chromatography. Simulated elution profiles calculated from the molecular-scale data suggest that, if it were possible to engineer uniform optimal interactions into ion-exchange systems, separation efficiencies could be improved by as much as a factor of five by deliberately exploiting clustered interactions that currently dominate the ion-exchange process only accidentally.

A Critical Evaluation of the Influence of the Dark Exchange Current on the Performance of Dye-Sensitized Solar Cells

PubMed Central

García-Rodríguez, Rodrigo; Villanueva-Cab, Julio; Anta, Juan A.; Oskam, Gerko

2016-01-01

The influence of the thickness of the nanostructured, mesoporous TiO2 film on several parameters determining the performance of a dye-sensitized solar cell is investigated both experimentally and theoretically. We pay special attention to the effect of the exchange current density in the dark, and we compare the values obtained by steady state measurements with values extracted from small perturbation techniques. We also evaluate the influence of exchange current density, the solar cell ideality factor, and the effective absorption coefficient of the cell on the optimal film thickness. The results show that the exchange current density in the dark is proportional to the TiO2 film thickness, however, the effective absorption coefficient is the parameter that ultimately defines the ideal thickness. We illustrate the importance of the exchange current density in the dark on the determination of the current–voltage characteristics and we show how an important improvement of the cell performance can be achieved by decreasing values of the total series resistance and the exchange current density in the dark. PMID:28787833

Demonstration of leapfrogging for implementing nonlinear model predictive control on a heat exchanger.

PubMed

Sridhar, Upasana Manimegalai; Govindarajan, Anand; Rhinehart, R Russell

2016-01-01

This work reveals the applicability of a relatively new optimization technique, Leapfrogging, for both nonlinear regression modeling and a methodology for nonlinear model-predictive control. Both are relatively simple, yet effective. The application on a nonlinear, pilot-scale, shell-and-tube heat exchanger reveals practicability of the techniques. Copyright © 2015 ISA. Published by Elsevier Ltd. All rights reserved.

Single and Multiresponse Adaptive Design of Experiments with Application to Design Optimization of Novel Heat Exchangers

DTIC Science & Technology

2009-01-01

Single phase fluid flow in microchannels has been widely investigated ( Morini , 2006; Abdelaziz et al., 2008) and it was verified that the conventional...Optimization, Kluwer. 203 78. Morini , G. L., 2006, “Scaling Effects for Liquid Flows in Microchannels,” Heat Transfer Engineering, Vol. 27, No. 4, pp

Development of corrosion resistant heat exchangers for flue gas desulfurization

NASA Astrophysics Data System (ADS)

Ernst, E.; Lorentz, R.

1984-12-01

A glass lining as protection against corrosion in flue gas desulfurization plants was developed. Glasses were evaluated under corrosive attack of fluoride-containing acids. The corrosion properties of one-layer and two-layer glass enamels are optimized. Two-layer systems always show better resistance and longer life. The optimized glass linings were tested in a power plant. Manufacturing principles for glass-lined heat exchanger elements are derived. The optimized glasses may be used as protective lining design for heat exchangers or parts of them.

Superior bit error rate and jitter due to improved switching field distribution in exchange spring magnetic recording media

PubMed Central

Suess, D.; Fuger, M.; Abert, C.; Bruckner, F.; Vogler, C.

2016-01-01

We report two effects that lead to a significant reduction of the switching field distribution in exchange spring media. The first effect relies on a subtle mechanism of the interplay between exchange coupling between soft and hard layers and anisotropy that allows significant reduction of the switching field distribution in exchange spring media. This effect reduces the switching field distribution by about 30% compared to single-phase media. A second effect is that due to the improved thermal stability of exchange spring media over single-phase media, the jitter due to thermal fluctuation is significantly smaller for exchange spring media than for single-phase media. The influence of this overall improved switching field distribution on the transition jitter in granular recording and the bit error rate in bit-patterned magnetic recording is discussed. The transition jitter in granular recording for a distribution of Khard values of 3% in the hard layer, taking into account thermal fluctuations during recording, is estimated to be a = 0.78 nm, which is similar to the best reported calculated jitter in optimized heat-assisted recording media. PMID:27245287

Structure, function and evolution of the gas exchangers: comparative perspectives

PubMed Central

Maina, JN

2002-01-01

Over the evolutionary continuum, animals have faced similar fundamental challenges of acquiring molecular oxygen for aerobic metabolism. Under limitations and constraints imposed by factors such as phylogeny, behaviour, body size and environment, they have responded differently in founding optimal respiratory structures. A quintessence of the aphorism that ‘necessity is the mother of invention’, gas exchangers have been inaugurated through stiff cost–benefit analyses that have evoked transaction of trade-offs and compromises. Cogent structural–functional correlations occur in constructions of gas exchangers: within and between taxa, morphological complexity and respiratory efficiency increase with metabolic capacities and oxygen needs. Highly active, small endotherms have relatively better-refined gas exchangers compared with large, inactive ectotherms. Respiratory structures have developed from the plain cell membrane of the primeval prokaryotic unicells to complex multifunctional ones ofthe modern Metazoa. Regarding the respiratory medium used to extract oxygen from, animal life has had only two choices – water or air – within the biological range of temperature and pressure the only naturally occurring respirable fluids. In rarer cases, certain animalshave adapted to using both media. Gills (evaginated gas exchangers) are the primordial respiratory organs: they are the archetypal water breathing organs. Lungs (invaginated gas exchangers) are the model air breathing organs. Bimodal (transitional) breathers occupy the water–air interface. Presentation and exposure of external (water/air) and internal (haemolymph/blood) respiratory media, features determined by geometric arrangement of the conduits, are important features for gas exchange efficiency: counter-current, cross-current, uniform pool and infinite pool designs have variably developed. PMID:12430953

Enhancement of exchange bias in ferromagnetic/antiferromagnetic core-shell nanoparticles through ferromagnetic domain wall formation

NASA Astrophysics Data System (ADS)

Wu, Rui; Ding, Shilei; Lai, Youfang; Tian, Guang; Yang, Jinbo

2018-01-01

The spin configuration in the ferromagnetic part during the magnetization reversal plays a crucial role in the exchange bias effect. Through Monte Carlo simulation, the exchange bias effect in ferromagnetic-antiferromagnetic core-shell nanoparticles is investigated. Magnetization reversals in the ferromagnetic core were controlled between the coherent rotation and the domain wall motion by modulating the ferromagnetic domain wall width with parameters of uniaxial anisotropy constant and exchange coupling strength. An anomalous monotonic dependence of exchange bias on the uniaxial anisotropy constant is found in systems with small exchange coupling, showing an obvious violation of classic Meiklejohn-Bean model, while domain walls are found to form close to the interface and propagate in the ferromagnetic core with larger uniaxial anisotropy in both branches of the hysteresis. The asymmetric magnetization reversal with the formation of a spherical domain wall dramatically reduces the coercive field in the ascending branch, leading to the enhancement of the exchange bias. The results provide another degree of freedom to optimize the magnetic properties of magnetic nanoparticles for applications.

Evaluation of a Passive Heat Exchanger Based Cooling System for Fuel Cell Applications

NASA Technical Reports Server (NTRS)

Colozza, Anthony J.; Burke, Kenneth A.

2011-01-01

Fuel cell cooling is conventionally performed with an actively controlled, dedicated coolant loop that exchanges heat with a separate external cooling loop. To simplify this system the concept of directly cooling a fuel cell utilizing a coolant loop with a regenerative heat exchanger to preheat the coolant entering the fuel cell with the coolant exiting the fuel cell was analyzed. The preheating is necessary to minimize the temperature difference across the fuel cell stack. This type of coolant system would minimize the controls needed on the coolant loop and provide a mostly passive means of cooling the fuel cell. The results indicate that an operating temperature of near or greater than 70 C is achievable with a heat exchanger effectiveness of around 90 percent. Of the heat exchanger types evaluated with the same type of fluid on the hot and cold side, a counter flow type heat exchanger would be required which has the possibility of achieving the required effectiveness. The number of heat transfer units required by the heat exchanger would be around 9 or greater. Although the analysis indicates the concept is feasible, the heat exchanger design would need to be developed and optimized for a specific fuel cell operation in order to achieve the high effectiveness value required.

Combined Effects of Ventilation Mode and Positive End-Expiratory Pressure on Mechanics, Gas Exchange and the Epithelium in Mice with Acute Lung Injury

PubMed Central

Thammanomai, Apiradee; Hamakawa, Hiroshi; Bartolák-Suki, Erzsébet; Suki, Béla

2013-01-01

The accepted protocol to ventilate patients with acute lung injury is to use low tidal volume (VT) in combination with recruitment maneuvers or positive end-expiratory pressure (PEEP). However, an important aspect of mechanical ventilation has not been considered: the combined effects of PEEP and ventilation modes on the integrity of the epithelium. Additionally, it is implicitly assumed that the best PEEP-VT combination also protects the epithelium. We aimed to investigate the effects of ventilation mode and PEEP on respiratory mechanics, peak airway pressures and gas exchange as well as on lung surfactant and epithelial cell integrity in mice with acute lung injury. HCl-injured mice were ventilated at PEEPs of 3 and 6 cmH2O with conventional ventilation (CV), CV with intermittent large breaths (CVLB) to promote recruitment, and a new mode, variable ventilation, optimized for mice (VVN). Mechanics and gas exchange were measured during ventilation and surfactant protein (SP)-B, proSP-B and E-cadherin levels were determined from lavage and lung homogenate. PEEP had a significant effect on mechanics, gas exchange and the epithelium. The higher PEEP reduced lung collapse and improved mechanics and gas exchange but it also down regulated surfactant release and production and increased epithelial cell injury. While CVLB was better than CV, VVN outperformed CVLB in recruitment, reduced epithelial injury and, via a dynamic mechanotransduction, it also triggered increased release and production of surfactant. For long-term outcome, selection of optimal PEEP and ventilation mode may be based on balancing lung physiology with epithelial injury. PMID:23326543

77 FR 33798 - Self-Regulatory Organizations; BATS Exchange, Inc.; Notice of Filing and Immediate Effectiveness...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-06-07

... SECURITIES AND EXCHANGE COMMISSION [Release No. 34-67093; File No. SR-BATS-2012-018] Self-Regulatory Organizations; BATS Exchange, Inc.; Notice of Filing and Immediate Effectiveness of Proposed Rule Change To Amend BATS Rules Related to the Operation of BATS Post Only Orders and Match Trade Prevention Functionality June 1, 2012. Pursuant to...

The impact of economic and noneconomic exchange on physicians' organizational attitudes: The moderating effects of the Chief Medical Officer.

PubMed

Trybou, Jeroen; Gemmel, Paul; Annemans, Lieven

2016-01-01

Hospital-physician relationships are critical to hospitals' organizational success. A distinction can be drawn between economic and noneconomic physician-hospital exchange. Physician senior leadership could be an important component of managerial strategies aimed at optimizing hospital-physician relationships. The purpose of this study was to investigate the moderating role of the quality of exchange with the Chief Medical Officer (CMO) in the relationship between economic and noneconomic exchange and physicians' key organizational attitudes. Self-employed physicians practicing at six Belgian hospitals were surveyed. Economic exchange was conceptualized by the concepts of distributive and procedural justice, whereas noneconomic exchange was conceptualized by the concepts of administrative and professional psychological contract. Our outcomes comprise three key organizational attitudes identified in the literature (job satisfaction, affective organizational commitment, and intention to leave). The moderating role of leader-member exchange with the CMO in these relationships was assessed. Our results showed a relationship between both psychological contract breach and organizational justice and physicians' organizational attitudes. The quality of exchange with the CMO buffered the negative effect of psychological contract breach and reinforced the positive effects of organizational justice with respect to physicians' organizational attitudes. Our results demonstrate that both economic and noneconomic aspects are important when considering physicians' key organizational attitudes. The reciprocity dynamic between physician and hospital can be enhanced by high-quality exchange with the CMO.

Improving approximate-optimized effective potentials by imposing exact conditions: Theory and applications to electronic statics and dynamics

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

Kurzweil, Yair; Head-Gordon, Martin

2009-07-15

We develop a method that can constrain any local exchange-correlation potential to preserve basic exact conditions. Using the method of Lagrange multipliers, we calculate for each set of given Kohn-Sham orbitals a constraint-preserving potential which is closest to the given exchange-correlation potential. The method is applicable to both the time-dependent (TD) and independent cases. The exact conditions that are enforced for the time-independent case are Galilean covariance, zero net force and torque, and Levy-Perdew virial theorem. For the time-dependent case we enforce translational covariance, zero net force, Levy-Perdew virial theorem, and energy balance. We test our method on the exchangemore » (only) Krieger-Li-Iafrate (xKLI) approximate-optimized effective potential for both cases. For the time-independent case, we calculated the ground state properties of some hydrogen chains and small sodium clusters for some constrained xKLI potentials and Hartree-Fock (HF) exchange. The results (total energy, Kohn-Sham eigenvalues, polarizability, and hyperpolarizability) indicate that enforcing the exact conditions is not important for these cases. On the other hand, in the time-dependent case, constraining both energy balance and zero net force yields improved results relative to TDHF calculations. We explored the electron dynamics in small sodium clusters driven by cw laser pulses. For each laser pulse we compared calculations from TD constrained xKLI, TD partially constrained xKLI, and TDHF. We found that electron dynamics such as electron ionization and moment of inertia dynamics for the constrained xKLI are most similar to the TDHF results. Also, energy conservation is better by at least one order of magnitude with respect to the unconstrained xKLI. We also discuss the problems that arise in satisfying constraints in the TD case with a non-cw driving force.« less

Investigation of Readout RF Pulse Impact on the Chemical Exchange Saturation Transfer Spectrum

PubMed Central

Huang, Sheng-Min; Jan, Meei-Ling; Liang, Hsin-Chin; Chang, Chia-Hao; Wu, Yi-Chun; Tsai, Shang-Yueh; Wang, Fu-Nien

2015-01-01

Chemical exchange saturation transfer magnetic resonance imaging (CEST-MRI) is capable of both microenvironment and molecular imaging. The optimization of scanning parameters is important since the CEST effect is sensitive to factors such as saturation power and field homogeneity. The aim of this study was to determine if the CEST effect would be altered by changing the length of readout RF pulses. Both theoretical computer simulation and phantom experiments were performed to examine the influence of readout RF pulses. Our results showed that the length of readout RF pulses has unremarkable impact on the Z-spectrum and CEST effect in both computer simulation and phantom experiment. Moreover, we demonstrated that multiple refocusing RF pulses used in rapid acquisition with relaxation enhancement (RARE) sequence induced no obvious saturation transfer contrast. Therefore, readout RF pulse has negligible effect on CEST Z-spectrum and the optimization of readout RF pulse length can be disregarded in CEST imaging protocol. PMID:26455576

Modification and properties characterization of heterogeneous anion-exchange membranes by electrodeposition of graphene oxide (GO)

NASA Astrophysics Data System (ADS)

Li, Yujiao; Shi, Shaoyuan; Cao, Hongbin; Zhao, Zhijuan; Wen, Hao

2018-06-01

The heterogeneous anion exchange membranes (AEMs) were modified by electrodeposition of graphene oxide (GO) under different conditions. The physicochemical properties of GO-modified membranes were characterized systemically to obtain the optimized conditions for the electrodeposition of GO on the surface of AEMs. The results indicated that the contact angle and zeta potential of the modified AEMs decreased when increasing the concentration of GO from 0.05 g/L to 0.1 g/L. The higher concentration of NaCl, as the supporting electrolyte, could hinder the electrodeposition of GO on the AEMs for the competitive migration between the GO and Cl- ions. The increase of current density had a positive effect on properties of GO-modified membranes in the range of 1-5 mA/cm2. Compared with the pristine AEM, all the GO-modified AEMs exhibited smoother surface, higher hydrophilicity and negative zeta potential. It was also found that the GO modifying layer did not increase electrical resistance and had only a negligible effect on the desalination performance of AEMs. In the fouling experiments with sodium dodecyl benzene sulfonate (SDBS) as the model foulant, the GO-modified AEMs exhibited improved fouling resistance to SDBS.

78 FR 21447 - Self-Regulatory Organizations; BATS Exchange, Inc.; Notice of Filing and Immediate Effectiveness...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-04-10

... Maker Peg Order to more closely resemble analogous order types offered by NASDAQ Stock Market LLC...\\ The Exchange notes that EDGA Exchange, Inc. also has an order type identical to that of EDGX, however, for the purposes of this filing, the Exchange is referring only to the order type functionality...

SeaQuaKE: Sea-optimized Quantum Key Exchange

DTIC Science & Technology

2015-01-01

of photon pairs in both polarization [3] and time-bin [4] degrees of freedom simultaneously. Entanglement analysis components in both the...greater throughput per entangled photon pair compared to alternative sources that encode in only a Photon -pair source Time-bin entanglement ...Polarization Entanglement & Pair Generation Hyperentangled Photon Pair Source •Wavelength availability • Power • Pulse rate Time-bin Mux • Waveguide vs

MULTI-SCALE MODELING AND APPROXIMATION ASSISTED OPTIMIZATION OF BARE TUBE HEAT EXCHANGERS

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

Bacellar, Daniel; Ling, Jiazhen; Aute, Vikrant

2014-01-01

Air-to-refrigerant heat exchangers are very common in air-conditioning, heat pump and refrigeration applications. In these heat exchangers, there is a great benefit in terms of size, weight, refrigerant charge and heat transfer coefficient, by moving from conventional channel sizes (~ 9mm) to smaller channel sizes (< 5mm). This work investigates new designs for air-to-refrigerant heat exchangers with tube outer diameter ranging from 0.5 to 2.0mm. The goal of this research is to develop and optimize the design of these heat exchangers and compare their performance with existing state of the art designs. The air-side performance of various tube bundle configurationsmore » are analyzed using a Parallel Parameterized CFD (PPCFD) technique. PPCFD allows for fast-parametric CFD analyses of various geometries with topology change. Approximation techniques drastically reduce the number of CFD evaluations required during optimization. Maximum Entropy Design method is used for sampling and Kriging method is used for metamodeling. Metamodels are developed for the air-side heat transfer coefficients and pressure drop as a function of tube-bundle dimensions and air velocity. The metamodels are then integrated with an air-to-refrigerant heat exchanger design code. This integration allows a multi-scale analysis of air-side performance heat exchangers including air-to-refrigerant heat transfer and phase change. Overall optimization is carried out using a multi-objective genetic algorithm. The optimal designs found can exhibit 50 percent size reduction, 75 percent decrease in air side pressure drop and doubled air heat transfer coefficients compared to a high performance compact micro channel heat exchanger with same capacity and flow rates.« less

Mathematical theory of exchange-driven growth

NASA Astrophysics Data System (ADS)

Esenturk, Emre

2018-07-01

Exchange-driven growth is a process in which pairs of clusters interact by exchanging single unit of mass at a time. The rate of exchange is given by an interaction kernel which depends on the masses of the two interacting clusters. In this paper we establish the fundamental mathematical properties of the mean field rate equations of this process for the first time. We find two different classes of behavior depending on whether is symmetric or not. For the non-symmetric case, we prove global existence and uniqueness of solutions for kernels satisfying . This result is optimal in the sense that we show for a large class of initial conditions and kernels satisfying the solutions cannot exist. On the other hand, for symmetric kernels, we prove global existence of solutions for ( while existence is lost for ( In the intermediate regime we can only show local existence. We conjecture that the intermediate regime exhibits finite-time gelation in accordance with the heuristic results obtained for particular kernels.

Nucleotide exchange and excision technology DNA shuffling and directed evolution.

PubMed

Speck, Janina; Stebel, Sabine C; Arndt, Katja M; Müller, Kristian M

2011-01-01

Remarkable success in optimizing complex properties within DNA and proteins has been achieved by directed evolution. In contrast to various random mutagenesis methods and high-throughput selection methods, the number of available DNA shuffling procedures is limited, and protocols are often difficult to adjust. The strength of the nucleotide exchange and excision technology (NExT) DNA shuffling described here is the robust, efficient, and easily controllable DNA fragmentation step based on random incorporation of the so-called 'exchange nucleotides' by PCR. The exchange nucleotides are removed enzymatically, followed by chemical cleavage of the DNA backbone. The oligonucleotide pool is reassembled into full-length genes by internal primer extension, and the recombined gene library is amplified by standard PCR. The technique has been demonstrated by shuffling a defined gene library of chloramphenicol acetyltransferase variants using uridine as fragmentation defining exchange nucleotide. Substituting 33% of the dTTP with dUTP in the incorporation PCR resulted in shuffled clones with an average parental fragment size of 86 bases and revealed a mutation rate of only 0.1%. Additionally, a computer program (NExTProg) has been developed that predicts the fragment size distribution depending on the relative amount of the exchange nucleotide.

Theoretical Study of Spin Crossover in 30 Iron Complexes.

PubMed

Kepp, Kasper P

2016-03-21

Iron complexes are important spin crossover (SCO) systems with vital roles in oxidative metabolism and promising technological potential. The SCO tendency depends on the free energy balance of high- and low-spin states, which again depends on physical effects such as dispersion, relativistic effects, and vibrational entropy. This work studied 30 different iron SCO systems with experimentally known thermochemical data, using 12 different density functionals. Remarkably general entropy-enthalpy compensation across SCO systems was identified (R = 0.82, p = 0.002) that should be considered in rational SCO design. Iron(II) complexes displayed higher ΔH and ΔS values than iron(III) complexes and also less steep compensation effects. First-coordination sphere ΔS values computed from numerical frequencies reproduce most of the experimental entropy and should thus be included when modeling spin-state changes in inorganic chemistry (R = 0.52, p = 3.4 × 10(-3); standard error in TΔS ≈ 4.4 kJ/mol at 298 K vs 16 kJ/mol of total TΔS on average). Zero-point energies favored high-spin states by 9 kJ/mol on average. Interestingly, dispersion effects are surprisingly large for the SCO process (average: 9 kJ/mol, but up to 33 kJ/mol) and favor the more compact low-spin state. Relativistic effects favor low-spin by ∼9 kJ/mol on average, but up to 24 kJ/mol. B3LYP*, TPSSh, B2PLYP, and PW6B95 performed best for the typical calculation scheme that includes ZPE. However, if relativistic and dispersion effects are included, only B3LYP* remained accurate. On average, high-spin was favored by LYP by 11-15 kJ/mol relative to other correlation functionals, and by 4.2 kJ/mol per 1% HF exchange in hybrids. 13% HF exchange was optimal without dispersion, and 15% was optimal with all effects included for these systems.

Cell membrane water exchange effects in prostate DCE-MRI

NASA Astrophysics Data System (ADS)

Li, Xin; Priest, Ryan A.; Woodward, William J.; Siddiqui, Faisal; Beer, Tomasz M.; Garzotto, Mark G.; Rooney, William D.; Springer, Charles S.

2012-05-01

Prostate Dynamic-Contrast-Enhanced (DCE) MRI often exhibits fast and extensive global contrast reagent (CR) extravasation - measured by Ktrans, a pharmacokinetic parameter proportional to its rate. This implies that the CR concentration [CR] is high in the extracellular, extravascular space (EES) during a large portion of the DCE-MRI study. Since CR is detected indirectly, through water proton signal change, the effects of equilibrium transcytolemmal water exchange may be significant in the data and thus should be admitted in DCE-MRI pharmacokinetic modeling. The implications for parameter values were investigated through simulations, and analyses of actual prostate data, with different models. Model parameter correlation and precision were also explored. A near-optimal version of the exchange-sensitized model was found. Our results indicate that ΔKtrans (the Ktrans difference returned by this version and a model assuming exchange to be effectively infinitely fast) may be a very useful biomarker for discriminating malignant from benign prostate tissue. Using an exchange-sensitized model, we find that the mean intracellular water lifetime (τi) - an exchange measure - can be meaningfully mapped for the prostate. Our results show prostate glandular zone differences in τi values.

The Effect of Interface Texture on Exchange Biasing in Ni(80)Fe(20)/Ir(20)Mn(80) System.

PubMed

Chen, Yuan-Tsung

2009-01-01

Exchange-biasing phenomenon can induce an evident unidirectional hysteresis loop shift by spin coupling effect in the ferromagnetic (FM)/antiferromagnetic (AFM) interface which can be applied in magnetoresistance random access memory (MRAM) and recording-head applications. However, magnetic properties are the most important to AFM texturing. In this work, top-configuration exchange-biasing NiFe/IrMn(x A) systems have been investigated with three different conditions. From the high-resolution cross-sectional transmission electron microscopy (HR X-TEM) and X-ray diffraction results, we conclude that the IrMn (111) texture plays an important role in exchange-biasing field (H(ex)) and interfacial exchange energy (J(k)). H(ex) and J(k) tend to saturate when the IrMn thickness increases. Moreover, the coercivity (H(c)) dependence on IrMn thickness is explained based on the coupling or decoupling effect between the spins of the NiFe and IrMn layers near the NiFe/IrMn interface. In this work, the optimal values for H(ex) and J(k) are 115 Oe and 0.062 erg/cm(2), respectively.

Modeling and optimization of a concentrated solar supercritical CO2 power plant

NASA Astrophysics Data System (ADS)

Osorio, Julian D.

Renewable energy sources are fundamental alternatives to supply the rising energy demand in the world and to reduce or replace fossil fuel technologies. In order to make renewable-based technologies suitable for commercial and industrial applications, two main challenges need to be solved: the design and manufacture of highly efficient devices and reliable systems to operate under intermittent energy supply conditions. In particular, power generation technologies based on solar energy are one of the most promising alternatives to supply the world energy demand and reduce the dependence on fossil fuel technologies. In this dissertation, the dynamic behavior of a Concentrated Solar Power (CSP) supercritical CO2 cycle is studied under different seasonal conditions. The system analyzed is composed of a central receiver, hot and cold thermal energy storage units, a heat exchanger, a recuperator, and multi-stage compression-expansion subsystems with intercoolers and reheaters between compressors and turbines respectively. The effects of operating and design parameters on the system performance are analyzed. Some of these parameters are the mass flow rate, intermediate pressures, number of compression-expansion stages, heat exchangers' effectiveness, multi-tank thermal energy storage, overall heat transfer coefficient between the solar receiver and the environment and the effective area of the recuperator. Energy and exergy models for each component of the system are developed to optimize operating parameters in order to lead to maximum efficiency. From the exergy analysis, the components with high contribution to exergy destruction were identified. These components, which represent an important potential of improvement, are the recuperator, the hot thermal energy storage tank and the solar receiver. Two complementary alternatives to improve the efficiency of concentrated solar thermal systems are proposed in this dissertation: the optimization of the system's operating parameters and optimization of less efficient components. The parametric optimization is developed for a 1MW reference CSP system with CO2 as the working fluid. The component optimization, focused on the less efficient components, comprises some design modifications to the traditional component configuration for the recuperator, the hot thermal energy storage tank and the solar receiver. The proposed optimization alternatives include the heat exchanger's effectiveness enhancement by optimizing fins shapes, multi-tank thermal energy storage configurations for the hot thermal energy storage tank and the incorporation of a transparent insulation material into the solar receiver. Some of the optimizations are conducted in a generalized way, using dimensionless models to be applicable no only to the CSP but also to other thermal systems. This project is therefore an effort to improve the efficiency of power generation systems based on solar energy in order to make them competitive with conventional fossil fuel power generation devices. The results show that the parametric optimization leads the system to an efficiency of about 21% and a maximum power output close to 1.5 MW. The process efficiencies obtained in this work, of more than 21%, are relatively good for a solar-thermal conversion system and are also comparable with efficiencies of conversion of high performance PV panels. The thermal energy storage allows the system to operate for several hours after sunset. This operating time is approximately increased from 220 to 480 minutes after optimization. The hot and cold thermal energy storage also lessens the temperature fluctuations by providing smooth changes of temperatures at the turbines' and compressors' inlets. Additional improvements in the overall system efficiency are possible by optimizing the less efficient components. In particular, the fin's effectiveness can be improved in more than 5% after its shape is optimized, increments in the efficiency of the thermal energy storage of about 5.7% are possible when the mass is divided into four tanks, and solar receiver efficiencies up to 70% can be maintained for high operating temperatures (~ 1200°C) when a transparent insulation material is incorporated to the receiver. The results obtained in this dissertation indicate that concentrated solar systems using supercritical CO2 could be a viable alternative to satisfying energy needs in desert areas with scarce water and fossil fuel resources.

Cost Scaling of a Real-World Exhaust Waste Heat Recovery Thermoelectric Generator: A Deeper Dive

NASA Astrophysics Data System (ADS)

Hendricks, Terry J.; Yee, Shannon; LeBlanc, Saniya

2016-03-01

Cost is equally important to power density or efficiency for the adoption of waste heat recovery thermoelectric generators (TEG) in many transportation and industrial energy recovery applications. In many cases, the system design that minimizes cost (e.g., the /W value) can be very different than the design that maximizes the system's efficiency or power density, and it is important to understand the relationship between those designs to optimize TEG performance-cost compromises. Expanding on recent cost analysis work and using more detailed system modeling, an enhanced cost scaling analysis of a waste heat recovery TEG with more detailed, coupled treatment of the heat exchangers has been performed. In this analysis, the effect of the heat lost to the environment and updated relationships between the hot-side and cold-side conductances that maximize power output are considered. This coupled thermal and thermoelectric (TE) treatment of the exhaust waste heat recovery TEG yields modified cost scaling and design optimization equations, which are now strongly dependent on the heat leakage fraction, exhaust mass flow rate, and heat exchanger effectiveness. This work shows that heat exchanger costs most often dominate the overall TE system costs, that it is extremely difficult to escape this regime, and in order to achieve TE system costs of 1/W it is necessary to achieve heat exchanger costs of 1/(W/K). Minimum TE system costs per watt generally coincide with maximum power points, but preferred TE design regimes are identified where there is little cost penalty for moving into regions of higher efficiency and slightly lower power outputs. These regimes are closely tied to previously identified low cost design regimes. This work shows that the optimum fill factor F opt minimizing system costs decreases as heat losses increase, and increases as exhaust mass flow rate and heat exchanger effectiveness increase. These findings have profound implications on the design and operation of various TE waste heat recovery systems. This work highlights the importance of heat exchanger costs on the overall TEG system costs, quantifies the possible TEG performance-cost domain space based on heat exchanger effects, and provides a focus for future system research and development efforts.

Simultaneous polarized neutron reflectometry and anisotropic magnetoresistance measurements.

PubMed

Demeter, J; Teichert, A; Kiefer, K; Wallacher, D; Ryll, H; Menéndez, E; Paramanik, D; Steitz, R; Van Haesendonck, C; Vantomme, A; Temst, K

2011-03-01

A novel experimental facility to carry out simultaneous polarized neutron reflectometry (PNR) and anisotropic magnetoresistance (AMR) measurements is presented. Performing both techniques at the same time increases their strength considerably. The proof of concept of this method is demonstrated on a CoO/Co bilayer exchange bias system. Although information on the same phenomena, such as the coercivity or the reversal mechanism, can be separately obtained from either of these techniques, the simultaneous application optimizes the consistency between both. In this way, possible differences in experimental conditions, such as applied magnetic field amplitude and orientation, sample temperature, magnetic history, etc., can be ruled out. Consequently, only differences in the fundamental sensitivities of the techniques can cause discrepancies in the interpretation between the two. The almost instantaneous information obtained from AMR can be used to reveal time-dependent effects during the PNR acquisition. Moreover, the information inferred from the AMR measurements can be used for optimizing the experimental conditions for the PNR measurements in a more efficient way than with the PNR measurements alone.

Materials, Turbomachinery and Heat Exchangers for Supercritical CO2 Systems

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

Anderson, Mark; Nellis, Greg; Corradini, Michael

2012-10-19

The objective of this project is to produce the necessary data to evaluate the performance of the supercritical carbon dioxide cycle. The activities include a study of materials compatibility of various alloys at high temperatures, the heat transfer and pressure drop in compact heat exchanger units, and turbomachinery issues, primarily leakage rates through dynamic seals. This experimental work will serve as a test bed for model development and design calculations, and will help define further tests necessary to develop high-efficiency power conversion cycles for use on a variety of reactor designs, including the sodium fast reactor (SFR) and very high-temperaturemore » gas reactor (VHTR). The research will be broken into three separate tasks. The first task deals with the analysis of materials related to the high-temperature S-CO{sub 2} Brayton cycle. The most taxing materials issues with regard to the cycle are associated with the high temperatures in the reactor side heat exchanger and in the high-temperature turbine. The system could experience pressures as high as 20MPa and temperatures as high as 650°C. The second task deals with optimization of the heat exchangers required by the S-CO{sub 2} cycle; the S-CO{sub 2} flow passages in these heat exchangers are required whether the cycle is coupled with a VHTR or an SFR. At least three heat exchangers will be required: the pre-cooler before compression, the recuperator, and the heat exchanger that interfaces with the reactor coolant. Each of these heat exchangers is unique and must be optimized separately. The most challenging heat exchanger is likely the pre-cooler, as there is only about a 40°C temperature change but it operates close to the CO{sub 2} critical point, therefore inducing substantial changes in properties. The proposed research will focus on this most challenging component. The third task examines seal leakage through various dynamic seal designs under the conditions expected in the S-CO{sub 2} cycle, including supercritical, choked, and two-phase flow conditions.« less

Extension of the KLI approximation toward the exact optimized effective potential.

PubMed

Iafrate, G J; Krieger, J B

2013-03-07

The integral equation for the optimized effective potential (OEP) is utilized in a compact form from which an accurate OEP solution for the spin-unrestricted exchange-correlation potential, Vxcσ, is obtained for any assumed orbital-dependent exchange-correlation energy functional. The method extends beyond the Krieger-Li-Iafrate (KLI) approximation toward the exact OEP result. The compact nature of the OEP equation arises by replacing the integrals involving the Green's function terms in the traditional OEP equation by an equivalent first-order perturbation theory wavefunction often referred to as the "orbital shift" function. Significant progress is then obtained by solving the equation for the first order perturbation theory wavefunction by use of Dalgarno functions which are determined from well known methods of partial differential equations. The use of Dalgarno functions circumvents the need to explicitly address the Green's functions and the associated problems with "sum over states" numerics; as well, the Dalgarno functions provide ease in dealing with inherent singularities arising from the origin and the zeros of the occupied orbital wavefunctions. The Dalgarno approach for finding a solution to the OEP equation is described herein, and a detailed illustrative example is presented for the special case of a spherically symmetric exchange-correlation potential. For the case of spherical symmetry, the relevant Dalgarno function is derived by direct integration of the appropriate radial equation while utilizing a user friendly method which explicitly treats the singular behavior at the origin and at the nodal singularities arising from the zeros of the occupied states. The derived Dalgarno function is shown to be an explicit integral functional of the exact OEP Vxcσ, thus allowing for the reduction of the OEP equation to a self-consistent integral equation for the exact exchange-correlation potential; the exact solution to this integral equation can be determined by iteration with the natural zeroth order correction given by the KLI exchange-correlation potential. Explicit analytic results are provided to illustrate the first order iterative correction beyond the KLI approximation. The derived correction term to the KLI potential explicitly involves spatially weighted products of occupied orbital densities in any assumed orbital-dependent exchange-correlation energy functional; as well, the correction term is obtained with no adjustable parameters. Moreover, if the equation for the exact optimized effective potential is further iterated, one can obtain the OEP as accurately as desired.

Extension of the KLI approximation toward the exact optimized effective potential

NASA Astrophysics Data System (ADS)

Iafrate, G. J.; Krieger, J. B.

2013-03-01

The integral equation for the optimized effective potential (OEP) is utilized in a compact form from which an accurate OEP solution for the spin-unrestricted exchange-correlation potential, Vxcσ, is obtained for any assumed orbital-dependent exchange-correlation energy functional. The method extends beyond the Krieger-Li-Iafrate (KLI) approximation toward the exact OEP result. The compact nature of the OEP equation arises by replacing the integrals involving the Green's function terms in the traditional OEP equation by an equivalent first-order perturbation theory wavefunction often referred to as the "orbital shift" function. Significant progress is then obtained by solving the equation for the first order perturbation theory wavefunction by use of Dalgarno functions which are determined from well known methods of partial differential equations. The use of Dalgarno functions circumvents the need to explicitly address the Green's functions and the associated problems with "sum over states" numerics; as well, the Dalgarno functions provide ease in dealing with inherent singularities arising from the origin and the zeros of the occupied orbital wavefunctions. The Dalgarno approach for finding a solution to the OEP equation is described herein, and a detailed illustrative example is presented for the special case of a spherically symmetric exchange-correlation potential. For the case of spherical symmetry, the relevant Dalgarno function is derived by direct integration of the appropriate radial equation while utilizing a user friendly method which explicitly treats the singular behavior at the origin and at the nodal singularities arising from the zeros of the occupied states. The derived Dalgarno function is shown to be an explicit integral functional of the exact OEP Vxcσ, thus allowing for the reduction of the OEP equation to a self-consistent integral equation for the exact exchange-correlation potential; the exact solution to this integral equation can be determined by iteration with the natural zeroth order correction given by the KLI exchange-correlation potential. Explicit analytic results are provided to illustrate the first order iterative correction beyond the KLI approximation. The derived correction term to the KLI potential explicitly involves spatially weighted products of occupied orbital densities in any assumed orbital-dependent exchange-correlation energy functional; as well, the correction term is obtained with no adjustable parameters. Moreover, if the equation for the exact optimized effective potential is further iterated, one can obtain the OEP as accurately as desired.

Protein hydrogen exchange at residue resolution by proteolytic fragmentation mass spectrometry analysis

PubMed Central

Kan, Zhong-Yuan; Walters, Benjamin T.; Mayne, Leland; Englander, S. Walter

2013-01-01

Hydrogen exchange technology provides a uniquely powerful instrument for measuring protein structural and biophysical properties, quantitatively and in a nonperturbing way, and determining how these properties are implemented to produce protein function. A developing hydrogen exchange–mass spectrometry method (HX MS) is able to analyze large biologically important protein systems while requiring only minuscule amounts of experimental material. The major remaining deficiency of the HX MS method is the inability to deconvolve HX results to individual amino acid residue resolution. To pursue this goal we used an iterative optimization program (HDsite) that integrates recent progress in multiple peptide acquisition together with previously unexamined isotopic envelope-shape information and a site-resolved back-exchange correction. To test this approach, residue-resolved HX rates computed from HX MS data were compared with extensive HX NMR measurements, and analogous comparisons were made in simulation trials. These tests found excellent agreement and revealed the important computational determinants. PMID:24019478

From Modules to a Generator: An Integrated Heat Exchanger Concept for Car Applications of a Thermoelectric Generator

NASA Astrophysics Data System (ADS)

Bosch, Henry

2016-03-01

A heat exchanger concept for a thermoelectric generator with integrated planar modules for passenger car applications is introduced. The module housings, made of deep drawn stainless steel sheet metal, are brazed onto the exhaust gas channel to achieve an optimal heat transfer on the hot side of the modules. The cooling side consists of winding fluid channels, which are mounted directly onto the cold side of the modules. Only a thin foil separates the cooling media from the modules for an almost direct heat contact on the cooling side. Thermoelectric generators with up to 20 modules made of PbTe and Bi2Te3, respectively, are manufactured and tested on a hot gas generator to investigate electrical power output and performance of the thermoelectric generator. The proof of concept of the light weight heat exchanger design made of sheet metal with integrated modules is positively accomplished.

Energy Efficient Waste Heat Recovery from an Engine Exhaust System

DTIC Science & Technology

2016-12-01

targets. Since solar panels and wind turbines will not work for ships; the energy savings must come from making the existing power generation...achieve an approximate solution to the problem . The research for this thesis involved design by analysis of heat exchange in a gas turbine exhaust...effectiveness of a new style of heat exchanger for waste heat recovery. The new design sought to optimize heat recovery from a gas turbine engine exhaust as

Increasing the applicability of density functional theory. IV. Consequences of ionization-potential improved exchange-correlation potentials.

PubMed

Verma, Prakash; Bartlett, Rodney J

2014-05-14

This paper's objective is to create a "consistent" mean-field based Kohn-Sham (KS) density functional theory (DFT) meaning the functional should not only provide good total energy properties, but also the corresponding KS eigenvalues should be accurate approximations to the vertical ionization potentials (VIPs) of the molecule, as the latter condition attests to the viability of the exchange-correlation potential (VXC). None of the prominently used DFT approaches show these properties: the optimized effective potential VXC based ab initio dft does. A local, range-separated hybrid potential cam-QTP-00 is introduced as the basis for a "consistent" KS DFT approach. The computed VIPs as the negative of KS eigenvalue have a mean absolute error of 0.8 eV for an extensive set of molecule's electron ionizations, including the core. Barrier heights, equilibrium geometries, and magnetic properties obtained from the potential are in good agreement with experiment. A similar accuracy with less computational efforts can be achieved by using a non-variational global hybrid variant of the QTP-00 approach.

Effects of PM fouling on the heat exchange effectiveness of wave fin type EGR cooler for diesel engine use

NASA Astrophysics Data System (ADS)

Jang, Sang-Hoon; Hwang, Se-Joon; Park, Sang-Ki; Choi, Kap-Seung; Kim, Hyung-Man

2012-06-01

Developing an effective method of reducing nitrogen oxide emissions is an important goal in diesel engine research. The use of cooled exhaust gas recirculation has been considered one of the most effective techniques of reducing nitrogen oxide. However, since the combustion characteristics in a diesel engine involves high temperature and load, the amount of particulate matter emission tends to increase, and there is a trade-off between the amount of nitrogen oxide and particulate matter emissions. In the present study, engine dynamometer experiments are performed to investigate the effects of particulate matter fouling on the heat exchange characteristics of wave fin type exhaust gas recirculation coolers that have four cases of two wave pitch and three fin pitch lengths. To optimize the fin and wave pitches of the EGR cooler, the exhaust gas temperature, pressure drop and heat exchange effectiveness are compared. The experimental results show that the exhaust gas recirculation cooler with a fin pitch of 3.6 mm and a wave pitch of 8.8 mm exhibits better heat exchange characteristics and smaller particulate matter fouling effect than the other coolers.

New latent heat storage system with nanoparticles for thermal management of electric vehicles

NASA Astrophysics Data System (ADS)

Javani, N.; Dincer, I.; Naterer, G. F.

2014-12-01

In this paper, a new passive thermal management system for electric vehicles is developed. A latent heat thermal energy storage with nanoparticles is designed and optimized. A genetic algorithm method is employed to minimize the length of the heat exchanger tubes. The results show that even the optimum length of a shell and tube heat exchanger becomes too large to be employed in a vehicle. This is mainly due to the very low thermal conductivity of phase change material (PCM) which fills the shell side of the heat exchanger. A carbon nanotube (CNT) and PCM mixture is then studied where the probability of nanotubes in a series configuration is defined as a deterministic design parameter. Various heat transfer rates, ranging from 300 W to 600 W, are utilized to optimize battery cooling options in the heat exchanger. The optimization results show that smaller tube diameters minimize the heat exchanger length. Furthermore, finned tubes lead to a higher heat exchanger length due to more heat transfer resistance. By increasing the CNT concentration, the optimum length of the heat exchanger decreases and makes the improved thermal management system a more efficient and competitive with air and liquid thermal management systems.

[Optimized isolation and purification of non-typeable Haemophilus influenzae Haps protein].

PubMed

Li, Wan-yi; Kuang, Yu; Li, Ming-yuan; Yang, Yuan; Jiang, Zhong-hua; Yao, Feng; Chen, Chang-chun

2007-12-01

To optimize the isolation and purification conditions for Hap(s) protein of non-typeable Haemophilus influenzae. Hap(s) protein was purified by ammonium sulfate precipitation, dialysis desalting and Hitrap weak cation exchange columns of CM Sepharose Fast Flow. The condition of the elution was optimized for pH and ionic strength, the absorbance at 280 nm of the elution samples were detected, and the targeted protein band in the collected samples was observed by SDS-PAGE electrophoresis. The Hitrap ion exchange column was eluted with buffer 1, which resulted in a baseline distribution of absorbance at 280 nm. Buffer 2 elution of the column resulted in the presence of peak absorbance with trails, which was identified to be constituted by some low molecular weight bands by subsequent SDS-PAGE. In serial column elution with buffer 3 with different ionic strength, a peak absorbance was observed with the ionic strength of 100 mmol/L NaCl, and SDS-PAGE confirmed that the peak was generated by the target protein. No obvious peaks or bands in SDS-PAGE occurred with the other ionic strengths. The pH of the buffer only affect the elution of the irrelevant proteins rather than the Hap(s) protein, and elution with the buffer containing 100 mmol/L NaCl can be optimal for eluting the Hap(s) protein.

The Exchange-Correlation Field Effect over the Magnetoacoustic-Gravitational Instability in Plasmas

NASA Astrophysics Data System (ADS)

Rasheed, A.; Jamil, M.; Jung, Young-Dae; Sahar, A.; Asif, M.

2017-09-01

Jeans instability with magnetosonic perturbations is discussed in quantum dusty magnetoplasmas. The quantum and smaller thermal effects are associated only with electrons. The quantum characteristics include exchange-correlation potential, recoil effect, and Fermi degenerate pressure. The multifluid model of plasmas is used for the analytical study of this problem. The significant contribution of electron exchange is noticed on the threshold value of wave vector and Jeans instability. The presence of electron exchange and correlation effects reduce the time to stabilise the phenomenon of self-gravitational collapse of massive species. The results of Jeans instability by magnetosonic perturbations at quantum scale help to disclose the details of the self-gravitating dusty magnetoplasma systems.

Thermodynamic limits set relevant constraints to the soil-plant-atmosphere system and to optimality in terrestrial vegetation

NASA Astrophysics Data System (ADS)

Kleidon, Axel; Renner, Maik

2016-04-01

The soil-plant-atmosphere system is a complex system that is strongly shaped by interactions between the physical environment and vegetation. This complexity appears to demand equally as complex models to fully capture the dynamics of the coupled system. What we describe here is an alternative approach that is based on thermodynamics and which allows for comparatively simple formulations free of empirical parameters by assuming that the system is so complex that its emergent dynamics are only constrained by the thermodynamics of the system. This approach specifically makes use of the second law of thermodynamics, a fundamental physical law that is typically not being considered in Earth system science. Its relevance to land surface processes is that it fundamentally sets a direction as well as limits to energy conversions and associated rates of mass exchange, but it requires us to formulate land surface processes as thermodynamic processes that are driven by energy conversions. We describe an application of this approach to the surface energy balance partitioning at the diurnal scale. In this application the turbulent heat fluxes of sensible and latent heat are described as the result of a convective heat engine that is driven by solar radiative heating of the surface and that operates at its thermodynamic limit. The predicted fluxes from this approach compare very well to observations at several sites. This suggests that the turbulent exchange fluxes between the surface and the atmosphere operate at their thermodynamic limit, so that thermodynamics imposes a relevant constraint to the land surface-atmosphere system. Yet, thermodynamic limits do not entirely determine the soil-plant-atmosphere system because vegetation affects these limits, for instance by affecting the magnitude of surface heating by absorption of solar radiation in the canopy layer. These effects are likely to make the conditions at the land surface more favorable for photosynthetic activity, which then links this thermodynamic approach to optimality in vegetation. We also contrast this approach to common, semi-empirical approaches of surface-atmosphere exchange and discuss how thermodynamics may set a broader range of transport limitations and optimality in the soil-plant-atmosphere system.

Communication: Near-locality of exchange and correlation density functionals for 1- and 2-electron systems

NASA Astrophysics Data System (ADS)

Sun, Jianwei; Perdew, John P.; Yang, Zenghui; Peng, Haowei

2016-05-01

The uniform electron gas and the hydrogen atom play fundamental roles in condensed matter physics and quantum chemistry. The former has an infinite number of electrons uniformly distributed over the neutralizing positively charged background, and the latter only one electron bound to the proton. The uniform electron gas was used to derive the local spin density approximation to the exchange-correlation functional that undergirds the development of the Kohn-Sham density functional theory. We show here that the ground-state exchange-correlation energies of the hydrogen atom and many other 1- and 2-electron systems are modeled surprisingly well by a different local spin density approximation (LSDA0). LSDA0 is constructed to satisfy exact constraints but agrees surprisingly well with the exact results for a uniform two-electron density in a finite, curved three-dimensional space. We also apply LSDA0 to excited or noded 1-electron densities, where it works less well. Furthermore, we show that the localization of the exact exchange hole for a 1- or 2-electron ground state can be measured by the ratio of the exact exchange energy to its optimal lower bound.

Optimal design of the first stage of the plate-fin heat exchanger for the EAST cryogenic system

NASA Astrophysics Data System (ADS)

Qingfeng, JIANG; Zhigang, ZHU; Qiyong, ZHANG; Ming, ZHUANG; Xiaofei, LU

2018-03-01

The size of the heat exchanger is an important factor determining the dimensions of the cold box in helium cryogenic systems. In this paper, a counter-flow multi-stream plate-fin heat exchanger is optimized by means of a spatial interpolation method coupled with a hybrid genetic algorithm. Compared with empirical correlations, this spatial interpolation algorithm based on a kriging model can be adopted to more precisely predict the Colburn heat transfer factors and Fanning friction factors of offset-strip fins. Moreover, strict computational fluid dynamics simulations can be carried out to predict the heat transfer and friction performance in the absence of reliable experimental data. Within the constraints of heat exchange requirements, maximum allowable pressure drop, existing manufacturing techniques and structural strength, a mathematical model of an optimized design with discrete and continuous variables based on a hybrid genetic algorithm is established in order to minimize the volume. The results show that for the first-stage heat exchanger in the EAST refrigerator, the structural size could be decreased from the original 2.200 × 0.600 × 0.627 (m3) to the optimized 1.854 × 0.420 × 0.340 (m3), with a large reduction in volume. The current work demonstrates that the proposed method could be a useful tool to achieve optimization in an actual engineering project during the practical design process.

Optimization of the Heat Exchangers of a Thermoelectric Generation System

NASA Astrophysics Data System (ADS)

Martínez, A.; Vián, J. G.; Astrain, D.; Rodríguez, A.; Berrio, I.

2010-09-01

The thermal resistances of the heat exchangers have a strong influence on the electric power produced by a thermoelectric generator. In this work, the heat exchangers of a thermoelectric generator have been optimized in order to maximize the electric power generated. This thermoelectric generator harnesses heat from the exhaust gas of a domestic gas boiler. Statistical design of experiments was used to assess the influence of five factors on both the electric power generated and the pressure drop in the chimney: height of the generator, number of modules per meter of generator height, length of the fins of the hot-side heat exchanger (HSHE), length of the gap between fins of the HSHE, and base thickness of the HSHE. The electric power has been calculated using a computational model, whereas Fluent computational fluid dynamics (CFD) has been used to obtain the thermal resistances of the heat exchangers and the pressure drop. Finally, the thermoelectric generator has been optimized, taking into account the restrictions on the pressure drop.

Exact Exchange calculations for periodic systems: a real space approach

NASA Astrophysics Data System (ADS)

Natan, Amir; Marom, Noa; Makmal, Adi; Kronik, Leeor; Kuemmel, Stephan

2011-03-01

We present a real-space method for exact-exchange Kohn-Sham calculations of periodic systems. The method is based on self-consistent solutions of the optimized effective potential (OEP) equation on a three-dimensional non-orthogonal grid, using norm conserving pseudopotentials. These solutions can be either exact, using the S-iteration approach, or approximate, using the Krieger, Li, and Iafrate (KLI) approach. We demonstrate, using a variety of systems, the importance of singularity corrections and use of appropriate pseudopotentials.

Genetic algorithm for neural networks optimization

NASA Astrophysics Data System (ADS)

Setyawati, Bina R.; Creese, Robert C.; Sahirman, Sidharta

2004-11-01

This paper examines the forecasting performance of multi-layer feed forward neural networks in modeling a particular foreign exchange rates, i.e. Japanese Yen/US Dollar. The effects of two learning methods, Back Propagation and Genetic Algorithm, in which the neural network topology and other parameters fixed, were investigated. The early results indicate that the application of this hybrid system seems to be well suited for the forecasting of foreign exchange rates. The Neural Networks and Genetic Algorithm were programmed using MATLAB«.

Unusual ferromagnetism enhancement in ferromagnetically optimal manganite La0.7−yCa0.3+yMn1−yRuyO3 (0≤y<0.3): the role of Mn-Ru t2g super-exchange

PubMed Central

Liu, M. F.; Du, Z. Z.; Xie, Y. L.; Li, X.; Yan, Z. B.; Liu, J. –M.

2015-01-01

The eg-orbital double-exchange mechanism as the core of physics of colossal magnetoresistance (CMR) manganites is well known, which usually covers up the role of super-exchange at the t2g-orbitals. The role of the double-exchange mechanism is maximized in La0.7Ca0.3MnO3, leading to the concurrent metal-insulator transition and ferromagnetic transition as well as CMR effect. In this work, by a set of synchronous Ru-substitution and Ca-substitution experiments on La0.7–yCa0.3+yMn1–yRuyO3, we demonstrate that the optimal ferromagnetism in La0.7Ca0.3MnO3 can be further enhanced. It is also found that the metal-insulator transition and magnetic transition can be separately modulated. By well-designed experimental schemes with which the Mn3+-Mn4+ double-exchange is damaged as weakly as possible, it is revealed that this ferromagnetism enhancement is attributed to the Mn-Ru t2g ferromagnetic super-exchange. The present work allows a platform on which the electro-transport and magnetism of rare-earth manganites can be controlled by means of the t2g-orbital physics of strongly correlated transition metal oxides. PMID:25909460

Towards an Optimal Gradient-dependent Energy Functional of the PZ-SIC Form

DOE PAGES

Jónsson, Elvar Örn; Lehtola, Susi; Jónsson, Hannes

2015-06-01

Results of Perdew–Zunger self-interaction corrected (PZ-SIC) density functional theory calculations of the atomization energy of 35 molecules are compared to those of high-level quantum chemistry calculations. While the PBE functional, which is commonly used in calculations of condensed matter, is known to predict on average too high atomization energy (overbinding of the molecules), the application of PZ-SIC gives a large overcorrection and leads to significant underestimation of the atomization energy. The exchange enhancement factor that is optimal for the generalized gradient approximation within the Kohn-Sham (KS) approach may not be optimal for the self-interaction corrected functional. The PBEsol functional, wheremore » the exchange enhancement factor was optimized for solids, gives poor results for molecules in KS but turns out to work better than PBE in PZ-SIC calculations. The exchange enhancement is weaker in PBEsol and the functional is closer to the local density approximation. Furthermore, the drop in the exchange enhancement factor for increasing reduced gradient in the PW91 functional gives more accurate results than the plateaued enhancement in the PBE functional. A step towards an optimal exchange enhancement factor for a gradient dependent functional of the PZ-SIC form is taken by constructing an exchange enhancement factor that mimics PBEsol for small values of the reduced gradient, and PW91 for large values. The average atomization energy is then in closer agreement with the high-level quantum chemistry calculations, but the variance is still large, the F 2 molecule being a notable outlier.« less

Local Estimators for Spacecraft Formation Flying

NASA Technical Reports Server (NTRS)

Fathpour, Nanaz; Hadaegh, Fred Y.; Mesbahi, Mehran; Nabi, Marzieh

2011-01-01

A formation estimation architecture for formation flying builds upon the local information exchange among multiple local estimators. Spacecraft formation flying involves the coordination of states among multiple spacecraft through relative sensing, inter-spacecraft communication, and control. Most existing formation flying estimation algorithms can only be supported via highly centralized, all-to-all, static relative sensing. New algorithms are needed that are scalable, modular, and robust to variations in the topology and link characteristics of the formation exchange network. These distributed algorithms should rely on a local information-exchange network, relaxing the assumptions on existing algorithms. In this research, it was shown that only local observability is required to design a formation estimator and control law. The approach relies on breaking up the overall information-exchange network into sequence of local subnetworks, and invoking an agreement-type filter to reach consensus among local estimators within each local network. State estimates were obtained by a set of local measurements that were passed through a set of communicating Kalman filters to reach an overall state estimation for the formation. An optimization approach was also presented by means of which diffused estimates over the network can be incorporated in the local estimates obtained by each estimator via local measurements. This approach compares favorably with that obtained by a centralized Kalman filter, which requires complete knowledge of the raw measurement available to each estimator.

Price of Fairness in Kidney Exchange

DTIC Science & Technology

2014-05-01

solver uses branch-and-price, a technique that proves optimality by in- crementally generating only a small part of the model during tree search [8...factors like fail- ure probability and chain position, as in the probabilistic model ). We will use this multiplicative re-weighting in our experiments in...Table 2 gives the average loss in efficiency for each of these models over multiple generated pool sizes, with 40 runs per pool size per model , under

Fidelity matters: the birth of entanglement in the mixing of Gaussian states.

PubMed

Olivares, Stefano; Paris, Matteo G A

2011-10-21

We address the interaction of two Gaussian states through bilinear exchange Hamiltonians and analyze the correlations exhibited by the resulting bipartite systems. We demonstrate that entanglement arises if and only if the fidelity between the two input Gaussian states falls under a threshold value depending only on their purities, first moments, and the strength of the coupling. Our result clarifies the role of quantum fluctuations (squeezing) as a prerequisite for entanglement generation and provides a tool to optimize the generation of entanglement in linear systems of interest for quantum technology. © 2011 American Physical Society

Double emittance exchanger as a bunch compressor for the MaRIE XFEL electron beam line at 1 GeV

NASA Astrophysics Data System (ADS)

Malyzhenkov, Alexander; Carlsten, Bruce E.; Yampolsky, Nikolai A.

2017-03-01

We demonstrate an alternative realization of a bunch compressor (specifically, the second bunch compressor for the MaRIE XFEL beamline, 1GeV electron energy) using a double emittance exchanger (EEX) and a telescope in the transverse phase space. We compare our results with a traditional bunch compressor realized via a chicane, taking into account the nonlinear dynamics, Coherent Synchrotron Radiation (CSR) and Space Charge (SC) effects. In particular, we use the Elegant code for tracking particles through the beamline, and analyze the evolution of the eigen-emittances to separate the influence of the CSR/SC effects from the nonlinear dynamics effects. We optimize the scheme parameters to reach a desirable compression factor and minimize the emittance growth. We observe dominant CSR effects in our scheme, resulting in critical emittance growth, and introduce an alternative version of an emittance exchanger with a reduced number of bending magnets to minimize the impact of CSR effects.

Double Emittance Exchanger as a Bunch Compressor for the MaRIE XFEL electron beam line at 1GeV

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

Malyzhenkov, Alexander; Yampolsky, Nikolai; Carlsten, Bruce Eric

We demonstrate an alternative realization of a bunch compressor (specifically the second bunch compressor for the MaRIE XFEL beamline, 1GeV electron energy) using a double emittance exchanger (EEX) and a telescope in the transverse phase space.We compare our results with a traditional bunch compressor realized via chicane, taking into account the nonlinear dynamics, Coherent Synchrotron Radiation (CSR) and Space Charge (SC) effects. In particular, we use the Elegant code for tracking particles through the beam line and analyze the eigen-emittances evolution to separate the influence of the CSR/SC effects from the nonlinear dynamics effects. We optimize the scheme parameters tomore » reach a desirable compression factor and minimize the emittance growth. We observe dominant CSR-effects in our scheme resulting in critical emittance growth and introduce alternative version of an emittance exchanger with a reduced number of bending magnets to minimize the impact of CSR effects.« less

Exchange bias and perpendicular anisotropy study of ultrathin Pt-Co-Pt-IrMn multilayers sputtered on float glass

NASA Astrophysics Data System (ADS)

Laval, M.; Lüders, U.; Bobo, J. F.

2007-09-01

We have prepared ultrathin Pt-Co-Pt-IrMn polycrystalline multilayers on float-glass substrates by DC magnetron sputtering. We have determined the optimal set of thickness for both Pt layers, the Co layer and the IrMn biasing layer so that these samples exhibit at the same time out-of-plane magnetic anisotropy and exchange bias. Kerr microscopy domain structure imaging evidences an increase of nucleation rate accompanied with inhomogeneous magnetic behavior in the case of exchange-biased films compared to Pt-Co-Pt trilayers. Polar hysteresis loops are measured in obliquely applied magnetic field conditions, allowing us to determine both perpendicular anisotropy effective constant Keff and exchange-bias coupling JE, which are significantly different from the ones determined by standard switching field measurements.

Formally exact integral equation theory of the exchange-only potential in density functional theory: Refined closure approximation

NASA Astrophysics Data System (ADS)

March, N. H.; Nagy, Á.

A fonnally exact integral equation theory for the exchange-only potential Vx(r) in density functional theory was recently set up by Howard and March [I.A. Howard, N.H. March, J. Chem. Phys. 119 (2003) 5789]. It involved a `closure' function P(r) satisfying the exact sum rule ∫ P(r) dr = 0. The simplest choice P(r) = 0 recovers then the approximation proposed by Della Sala and Görling [F. Della Sala, A. Görling, J. Chem. Phys. 115 (2001) 5718] and by Gritsenko and Baerends [O.V. Gritsenko, E.J. Baerends, Phys. Rev. A 64 (2001) 042506]. Here, refined choices of P(r) are proposed, the most direct being based on the KLI (Krieger-Li-Iafrate) approximation. A further choice given some attention is where P(r) involves frontier orbital properties. In particular, the introduction of the LUMO (lowest unoccupied molecular) orbital, along with the energy separation between HOMO (highest occupied molecular orbital) and LUMO levels, should prove a significant step beyond current approximations to the optimized potential method, all of which involve only single-particle occupied orbitals.

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

Sun, Jianwei; Yang, Zenghui; Peng, Haowei

The uniform electron gas and the hydrogen atom play fundamental roles in condensed matter physics and quantum chemistry. The former has an infinite number of electrons uniformly distributed over the neutralizing positively charged background, and the latter only one electron bound to the proton. The uniform electron gas was used to derive the local spin density approximation to the exchange-correlation functional that undergirds the development of the Kohn-Sham density functional theory. We show here that the ground-state exchange-correlation energies of the hydrogen atom and many other 1- and 2-electron systems are modeled surprisingly well by a different local spin densitymore » approximation (LSDA0). LSDA0 is constructed to satisfy exact constraints but agrees surprisingly well with the exact results for a uniform two-electron density in a finite, curved three-dimensional space. We also apply LSDA0 to excited or noded 1-electron densities, where it works less well. Furthermore, we show that the localization of the exact exchange hole for a 1- or 2-electron ground state can be measured by the ratio of the exact exchange energy to its optimal lower bound.« less

Condensation Behavior in a Microchannel Heat Exchanger

NASA Astrophysics Data System (ADS)

Kaneko, Akiko; Takeuchi, Genki; Abe, Yutaka; Suzuki, Yutaka

A small and high performance heat exchanger for small size energy equipments such as fuel cells and CO2 heat pumps is required in these days. In author's previous studies, the heat exchanger consisted of microchannels stacked in layers has been developed. It has resistance to pressure of larger than 15 MPa since it is manufactured by diffusion bond technique. Thus this device can be applied for high flow rate and pressure fluctuation conditions as boiling and condensation. The objectives of the present study are to clarify the heat transfer performance of the prototype heat exchanger and to investigate the thermal hydraulic behavior in the microchannel for design optimization of the device. As the results, it is clarified that the present device attained high heat transfer as 7 kW at the steam condensation, despite its weight of only 230 g. Furthermore, steam condensation behavior in a glass capillary tube, as a simulated microchannel, in a cooling water pool was observed with various inlet pressure and temperature of surrounding water. Relation between steam-water two-phase flow structure and the overall heat transfer coefficient is discussed.

Spin-dependent optimized effective potential formalism for open and closed systems

NASA Astrophysics Data System (ADS)

Rigamonti, S.; Horowitz, C. M.; Proetto, C. R.

2015-12-01

Orbital-based exchange (x ) correlation (c ) energy functionals, leading to the optimized effective potential (OEP) formalism of density-functional theory (DFT), are gaining increasing importance in ground-state DFT, as applied to the calculation of the electronic structure of closed systems with a fixed number of particles, such as atoms and molecules. These types of functionals prove also to be extremely valuable for dealing with solid-state systems with reduced dimensionality, such as is the case of electrons trapped at the interface between two different semiconductors, or narrow metallic slabs. In both cases, electrons build a quasi-two-dimensional electron gas, or Q2DEG. We provide here a general DFT-OEP formal scheme valid both for Q2DEGs either isolated (closed) or in contact with a particle bath (open), and show that both possible representations are equivalent, being the choice of one or the other essentially a question of convenience. Based on this equivalence, a calculation scheme is proposed which avoids the noninvertibility problem of the density response function for closed systems. We also consider the case of spontaneously spin-polarized Q2DEGs, and find that far from the region where the Q2DEG is localized, the exact x -only exchange potential approaches two different, spin-dependent asymptotic limits. As an example, aside from these formal results, we also provide numerical results for a spin-polarized jellium slab, using the new OEP formalism for closed systems. The accuracy of the Krieger-Li-Iafrate approximation has been also tested for the same system, and found to be as good as it is for atoms and molecules.

[Study on the extraction of the total alkaloids from Caulopyhllum robustum].

PubMed

Li, Yi-ping; Yang, Guang-de; He, Lang-chong

2007-02-01

To study the technological parameters of the extraction process of the total alkaloids from Caulopyhllum robstum. Taspine, whiVh is main component of the total alkaloids from Caulopyhllum robustum, was selected as an evaluating marker and determined by HPLC. The orthogonal test was used to optimize extracting conditions in the process of acid water extraction. Then the optimized conditions for purification using cation exchange resin were investigated. The optimized conditions in the process of acid water extraction were 1% hydrochloric acid as much as seven times of the medicine amount for 24hs and three times. Then the extraction of acid water was purified with a column of macroporous cation exchange resin LSD001 at 2 ml/min of flow rate, then eluted with 10BV of 4% aqueous ammonia ethanol. The extraction ratio of the total alkaloids was 1. 35% and the content of taspine of the total alkaloids was 6. 80%. This technology is simply, cheap effective and feasible for manufacture in great scale.

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

Romera, M.; Monteblanco, E.; Garcia-Sanchez, F.

The influence of dynamic coupling in between magnetic layers of a standard spin torque nano-oscillator composed of a synthetic antiferromagnet (SyF) as a polarizer and an in-plane magnetized free layer has been investigated. Experiments on spin valve nanopillars reveal non-continuous features such as kinks in the frequency field dependence that cannot be explained without such interactions. Comparison of experiments to numerical macrospin simulations shows that this is due to non-linear interaction between the spin torque (STT) driven mode and a damped mode that is mediated via the third harmonics of the STT mode. It only occurs at large applied currentsmore » and thus at large excitation amplitudes of the STT mode. Under these conditions, a hybridized mode characterized by a strong reduction of the linewidth appears. The reduced linewidth can be explained by a reduction of the non-linear contribution to the linewidth via an enhanced effective damping. Interestingly, the effect depends also on the exchange interaction within the SyF. An enhancement of the current range of reduced linewidth by a factor of two and a reduction of the minimum linewidth by a factor of two are predicted from simulation when the exchange interaction strength is reduced by 30%. These results open directions to optimize the design and microwave performances of spin torque nano-oscillators taking advantage of the coupling mechanisms.« less

76 FR 2730 - Self-Regulatory Organizations; NASDAQ OMX BX, Inc.; Notice of Filing and Immediate Effectiveness...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-01-14

... exchanges that employ a similar $5 Strike Price Program under their respective rules. Similar reciprocity... securities exchanges. Similar reciprocity currently is permitted with BOX's $1 Strike Program, $.50 Strike... effectiveness of reciprocity provision related to the $5 Strike Price Program). \\15\\ For purposes only of...

Structural damage identification using an enhanced thermal exchange optimization algorithm

NASA Astrophysics Data System (ADS)

Kaveh, A.; Dadras, A.

2018-03-01

The recently developed optimization algorithm-the so-called thermal exchange optimization (TEO) algorithm-is enhanced and applied to a damage detection problem. An offline parameter tuning approach is utilized to set the internal parameters of the TEO, resulting in the enhanced heat transfer optimization (ETEO) algorithm. The damage detection problem is defined as an inverse problem, and ETEO is applied to a wide range of structures. Several scenarios with noise and noise-free modal data are tested and the locations and extents of damages are identified with good accuracy.

Molecular dynamics investigation of water-exchange reactions on lanthanide ions in water/1-ethyl-3-methylimidazolium trifluoromethylsufate ([EMIm][OTf])

NASA Astrophysics Data System (ADS)

Tu, Yi-Jung; Lin, Zhijin; Allen, Matthew J.; Cisneros, G. Andrés

2018-01-01

We report a kinetic study of the water exchange on lanthanide ions in water/[1-ethyl-3-methylimidazolium][trifluoromethylsufate] (water/[EMIm][OTf]). The results from 17O-NMR measurements show that the water-exchange rates in water/[EMIm][OTf] increase with decreasing size of the lanthanide ions. This trend for water-exchange is similar to the previously reported trend in water/1-ethyl-3-methylimidazolium ethyl sulfate (water/[EMIm][EtSO4]) but opposite to that in water. To gain atomic-level insight into these water-exchange reactions, molecular dynamics simulations for lanthanide ions in water/[EMIm][OTf] have been performed using the atomic-multipole-optimized-energetics-for-biomolecular-application polarizable force field. Our molecular dynamics simulations reproduce the experimental water-exchange rates in terms of the trend and provide possible explanations for the observed experimental behavior. The smaller lanthanide ions in water/[EMIm][OTf] undergo faster water exchange because the smaller lanthanide ions coordinate to the first shell [OTf]- anions more tightly, resulting in a stronger screening effect for the second-shell water. The screening effect weakens the interaction of the lanthanide ions with the second-shell water molecules, facilitating the dissociation of water from the second-shell and subsequent association of water molecules from the outer solvation shells.

Molecular dynamics investigation of water-exchange reactions on lanthanide ions in water/1-ethyl-3-methylimidazolium trifluoromethylsufate ([EMIm][OTf]).

PubMed

Tu, Yi-Jung; Lin, Zhijin; Allen, Matthew J; Cisneros, G Andrés

2018-01-14

We report a kinetic study of the water exchange on lanthanide ions in water/[1-ethyl-3-methylimidazolium][trifluoromethylsufate] (water/[EMIm][OTf]). The results from 17 O-NMR measurements show that the water-exchange rates in water/[EMIm][OTf] increase with decreasing size of the lanthanide ions. This trend for water-exchange is similar to the previously reported trend in water/1-ethyl-3-methylimidazolium ethyl sulfate (water/[EMIm][EtSO 4 ]) but opposite to that in water. To gain atomic-level insight into these water-exchange reactions, molecular dynamics simulations for lanthanide ions in water/[EMIm][OTf] have been performed using the atomic-multipole-optimized-energetics-for-biomolecular-application polarizable force field. Our molecular dynamics simulations reproduce the experimental water-exchange rates in terms of the trend and provide possible explanations for the observed experimental behavior. The smaller lanthanide ions in water/[EMIm][OTf] undergo faster water exchange because the smaller lanthanide ions coordinate to the first shell [OTf] - anions more tightly, resulting in a stronger screening effect for the second-shell water. The screening effect weakens the interaction of the lanthanide ions with the second-shell water molecules, facilitating the dissociation of water from the second-shell and subsequent association of water molecules from the outer solvation shells.

Spin-locking vs. chemical exchange saturation transfer MRI for investigating chemical exchange process between water and labile metabolite protons

PubMed Central

Jin, Tao; Autio, Joonas; Obata, Takayuki; Kim, Seong-Gi

2010-01-01

Chemical exchange saturation transfer (CEST) and spin-locking (SL) experiments were both able to probe the exchange process between protons of non-equivalent chemical environments. To compare the characteristics of the CEST and SL approaches in the study of chemical exchange effects, we performed CEST and SL experiments at varied pH and concentrated metabolites with exchangeable amide, amine, and hydroxyl protons at 9.4 T. Our results show that: i) On-resonance SL is most sensitive to chemical exchanges in the intermediate exchange regime and is able to detect hydroxyl and amine protons on a millimolar concentration scale. Off-resonance SL and CEST approaches are sensitive to slow-exchanging protons when an optimal SL or saturation pulse power matches the exchanging rate, respectively. ii) Offset frequency-dependent SL and CEST spectra are very similar, and can be explained well with an SL model recently developed by Trott and Palmer. iii) The exchange rate and population of metabolite protons can be determined from offset-dependent SL or CEST spectra or from on-resonance SL relaxation dispersion measurements. iv) The asymmetry of the magnetization transfer ratio (MTRasym) is highly dependent on the choice of saturation pulse power. In the intermediate exchange regime, MTRasym becomes complicated and should be interpreted with care. PMID:21500270

Strategies for Optimizing Water-Exchange Rates of Lanthanide-Based Contrast Agents for Magnetic Resonance Imaging

PubMed Central

Siriwardena-Mahanama, Buddhima N.; Allen, Matthew J.

2013-01-01

This review describes recent advances in strategies for tuning the water-exchange rates of contrast agents for magnetic resonance imaging (MRI). Water-exchange rates play a critical role in determining the efficiency of contrast agents; consequently, optimization of water-exchange rates, among other parameters, is necessary to achieve high efficiencies. This need has resulted in extensive research efforts to modulate water-exchange rates by chemically altering the coordination environments of the metal complexes that function as contrast agents. The focus of this review is coordination-chemistry-based strategies used to tune the water-exchange rates of lanthanide(III)-based contrast agents for MRI. Emphasis will be given to results published in the 21st century, as well as implications of these strategies on the design of contrast agents. PMID:23921796

Cooperation of Horizontal Ground Heat Exchanger with the Ventilation Unit During Summer - Case Study

NASA Astrophysics Data System (ADS)

Romańska-Zapała, Anna; Furtak, Marcin; Dechnik, Mirosław

2017-10-01

Renewable energy sources are used in the modern energy-efficient buildings to improve their energy balance. One of them is used in the mechanical ventilation system ground air heat exchanger (earth-air heat exchanger - EAHX). This solution, right after heat recovery from exhaust air (recuperation), allows the reduction in the energy needed to obtain the desired temperature of supply air. The article presents the results of "in situ" measurements of pipe ground air heat exchanger cooperating with the air handling unit, supporting cooling the building in the summer season, in Polish climatic conditions. The laboratory consists of a ventilation unit intake - exhaust with rotor for which the source of fresh air is the air intake wall and two air intakes field cooperating with the tube with ground air heat exchangers. Selection of the source of fresh air is performed using sprocket with actuators. This system is part of the ventilation system of the Malopolska Laboratory of Energy-Efficient Building (MLBE) building of Cracow University of Technology. The measuring system are, among others, the sensors of parameters of air inlets and outlets of the heat exchanger channels EAHX and weather station that senses the local weather conditions. The measurement data are recorded and archived by the integrated process control system in the building of MLBE. During the study measurements of operating parameters of the ventilation unit cooperating with the selected source of fresh air were performed. Two cases of operation of the system: using EAHX heat exchanger and without it, were analyzed. Potentially the use of ground air heat exchanger in the mechanical ventilation system can reduce the energy demand for heating or cooling rooms by the pre-adjustment of the supply air temperature. Considering the results can be concluded that the continuous use of these exchangers is not optimal. This relationship is appropriate not only on an annual basis for the transitional periods (spring and autumn), but also in individual days in the potentially most favorable periods of work exchanger (summer and winter). Inappropriate operation of the heat exchanger, will lead to a temporary increase in energy consumption for the preparation of the desired air temperature, relative to the fresh air unit which is non-pretreated. For optimal energy system operation: exchanger EAHX - air handling unit, to preserve the most favourable parameters of inlet air to handling unit, there is a need to dynamically adjust the source of fresh air, depending on changing external conditions and the required outlet temperature of central unit (temperature of air forced to the rooms).

Individual Basepair Stability of DNA and RNA Studied by NMR-Detected Solvent Exchange

PubMed Central

Steinert, Hannah S.; Rinnenthal, Jörg; Schwalbe, Harald

2012-01-01

In this study, we have optimized NMR methodology to determine the thermodynamic parameters of basepair opening in DNA and RNA duplexes by characterizing the temperature dependence of imino proton exchange rates of individual basepairs. Contributions of the nuclear Overhauser effect to exchange rates measured with inversion recovery experiments are quantified, and the influence of intrinsic and external catalysis exchange mechanisms on the imino proton exchange rates is analyzed. Basepairs in DNA and RNA have an approximately equal stability, and the enthalpy and entropy values of their basepair dissociation are correlated linearly. Furthermore, the compensation temperature, Tc, which is derived from the slope of the correlation, coincides with the melting temperature, and duplex unfolding occurs at that temperature where all basepairs are equally thermodynamically stable. The impact of protium-deuterium exchange of the imino hydrogen on the free energy of RNA basepair opening is investigated, and it is found that two A·U basepairs show distinct fractionation factors. PMID:22713572

Fifty Years of Research in ARDS. Gas Exchange in Acute Respiratory Distress Syndrome.

PubMed

Radermacher, Peter; Maggiore, Salvatore Maurizio; Mercat, Alain

2017-10-15

Acute respiratory distress syndrome (ARDS) is characterized by severe impairment of gas exchange. Hypoxemia is mainly due to intrapulmonary shunt, whereas increased alveolar dead space explains the alteration of CO 2 clearance. Assessment of the severity of gas exchange impairment is a requisite for the characterization of the syndrome and the evaluation of its severity. Confounding factors linked to hemodynamic status can greatly influence the relationship between the severity of lung injury and the degree of hypoxemia and/or the effects of ventilator settings on gas exchange. Apart from situations of rescue treatment, targeting optimal gas exchange in ARDS has become less of a priority compared with prevention of injury. A complex question for clinicians is to understand when improvement in oxygenation and alveolar ventilation is related to a lower degree or risk of injury for the lungs. In this regard, a full understanding of gas exchange mechanism in ARDS is imperative for individualized symptomatic support of patients with ARDS.

Cost Scaling of a Real-World Exhaust Waste Heat Recovery Thermoelectric Generator: A Deeper Dive

NASA Technical Reports Server (NTRS)

Hendricks, Terry J.; Yee, Shannon; LeBlanc, Saniya

2015-01-01

Cost is equally important to power density or efficiency for the adoption of waste heat recovery thermoelectric generators (TEG) in many transportation and industrial energy recovery applications. In many cases the system design that minimizes cost (e.g., the $/W value) can be very different than the design that maximizes the system's efficiency or power density, and it is important to understand the relationship between those designs to optimize TEG performance-cost compromises. Expanding on recent cost analysis work and using more detailed system modeling, an enhanced cost scaling analysis of a waste heat recovery thermoelectric generator with more detailed, coupled treatment of the heat exchangers has been performed. In this analysis, the effect of the heat lost to the environment and updated relationships between the hot-side and cold-side conductances that maximize power output are considered. This coupled thermal and thermoelectric treatment of the exhaust waste heat recovery thermoelectric generator yields modified cost scaling and design optimization equations, which are now strongly dependent on the heat leakage fraction, exhaust mass flow rate, and heat exchanger effectiveness. This work shows that heat exchanger costs most often dominate the overall TE system costs, that it is extremely difficult to escape this regime, and in order to achieve TE system costs of $1/W it is necessary to achieve heat exchanger costs of $1/(W/K). Minimum TE system costs per watt generally coincide with maximum power points, but Preferred TE Design Regimes are identified where there is little cost penalty for moving into regions of higher efficiency and slightly lower power outputs. These regimes are closely tied to previously-identified low cost design regimes. This work shows that the optimum fill factor Fopt minimizing system costs decreases as heat losses increase, and increases as exhaust mass flow rate and heat exchanger effectiveness increase. These findings have profound implications on the design and operation of various thermoelectric (TE) waste heat 3 recovery systems. This work highlights the importance of heat exchanger costs on the overall TEG system costs, quantifies the possible TEG performance-cost domain space based on heat exchanger effects, and provides a focus for future system research and development efforts.

Optimization of Feasibility Stage for Hydrogen/Deuterium Exchange Mass Spectrometry

NASA Astrophysics Data System (ADS)

Hamuro, Yoshitomo; Coales, Stephen J.

2018-03-01

The practice of HDX-MS remains somewhat difficult, not only for newcomers but also for veterans, despite its increasing popularity. While a typical HDX-MS project starts with a feasibility stage where the experimental conditions are optimized and the peptide map is generated prior to the HDX study stage, the literature usually reports only the HDX study stage. In this protocol, we describe a few considerations for the initial feasibility stage, more specifically, how to optimize quench conditions, how to tackle the carryover issue, and how to apply the pepsin specificity rule. Two sets of quench conditions are described depending on the presence of disulfide bonds to facilitate the quench condition optimization process. Four protocols are outlined to minimize carryover during the feasibility stage: (1) addition of a detergent to the quench buffer, (2) injection of a detergent or chaotrope to the protease column after each sample injection, (3) back-flushing of the trap column and the analytical column with a new plumbing configuration, and (4) use of PEEK (or PEEK coated) frits instead of stainless steel frits for the columns. The application of the pepsin specificity rule after peptide map generation and not before peptide map generation is suggested. The rule can be used not only to remove falsely identified peptides, but also to check the sample purity. A well-optimized HDX-MS feasibility stage makes subsequent HDX study stage smoother and the resulting HDX data more reliable. [Figure not available: see fulltext.

Tuning the stability and the skyrmion Hall effect in magnetic skyrmions by adjusting their exchange strengths with magnetic disks

NASA Astrophysics Data System (ADS)

Sun, L.; Wu, H. Z.; Miao, B. F.; Wu, D.; Ding, H. F.

2018-06-01

Magnetic skyrmion is a promising candidate for the future information technology due to its small size, topological protection and the ultralow current density needed to displace it. The applications, however, are currently limited by its narrow phase diagram and the skyrmion Hall effect which prevents the skyrmion motion at high speed. In this work, we study the Dzyaloshinskii-Moriya interaction induced magnetic skyrmion that exchange coupled with magnetic nano-disks utilizing the micromagnetic simulation. We find that the stability and the skyrmion Hall effect of the created skyrmion can be tuned effectively with the coupling strength, thus opens the space to optimize the performance of the skyrmion based devices.

Spontaneous exchange bias formation driven by a structural phase transition in the antiferromagnetic material.

PubMed

Migliorini, A; Kuerbanjiang, B; Huminiuc, T; Kepaptsoglou, D; Muñoz, M; Cuñado, J L F; Camarero, J; Aroca, C; Vallejo-Fernández, G; Lazarov, V K; Prieto, J L

2018-01-01

Most of the magnetic devices in advanced electronics rely on the exchange bias effect, a magnetic interaction that couples a ferromagnetic and an antiferromagnetic material, resulting in a unidirectional displacement of the ferromagnetic hysteresis loop by an amount called the 'exchange bias field'. Setting and optimizing exchange bias involves cooling through the Néel temperature of the antiferromagnetic material in the presence of a magnetic field. Here we demonstrate an alternative process for the generation of exchange bias. In IrMn/FeCo bilayers, a structural phase transition in the IrMn layer develops at room temperature, exchange biasing the FeCo layer as it propagates. Once the process is completed, the IrMn layer contains very large single-crystal grains, with a large density of structural defects within each grain, which are promoted by the FeCo layer. The magnetic characterization indicates that these structural defects in the antiferromagnetic layer are behind the resulting large value of the exchange bias field and its good thermal stability. This mechanism for establishing the exchange bias in such a system can contribute towards the clarification of fundamental aspects of this exchange interaction.

Asia-Pacific Economic Update. Volume 1. Economic Strategy, Context and Performance

DTIC Science & Technology

2002-01-01

deficits and rigid exchange rate regimes contributed to financial turbulence and a disorderly free-fall of Asian foreign exchange rates . Floating exchange rate regimes are needed to optimize free international capital markets.

Modelling on optimal portfolio with exchange rate based on discontinuous stochastic process

NASA Astrophysics Data System (ADS)

Yan, Wei; Chang, Yuwen

2016-12-01

Considering the stochastic exchange rate, this paper is concerned with the dynamic portfolio selection in financial market. The optimal investment problem is formulated as a continuous-time mathematical model under mean-variance criterion. These processes follow jump-diffusion processes (Weiner process and Poisson process). Then the corresponding Hamilton-Jacobi-Bellman(HJB) equation of the problem is presented and its efferent frontier is obtained. Moreover, the optimal strategy is also derived under safety-first criterion.

Effect of aeration rate, moisture content and composting period on availability of copper and lead during pig manure composting.

PubMed

Shen, Yujun; Zhao, Lixin; Meng, Haibo; Hou, Yueqing; Zhou, Haibin; Wang, Fei; Cheng, Hongsheng; Liu, Hongbin

2016-06-01

Pollution by heavy metals, such as copper and lead, has become a limiting factor for the land application of faecal manures, such as pig manure. This study was conducted to investigate the influence of composting process parameters, including aeration rate, moisture content and composting period, on the distribution of heavy metal species during composting, and to select an optimal parameter for copper and lead inactivation. Results showed that the distribution ratios of exchangeable fractions of copper and lead had a bigger decrease under conditions of aeration rate, 0.1 m(3) min(-1) m(-3), an initial moisture content of 65% and composting period of 50 days. Suboptimal composting process conditions could lead to increased availability of heavy metals. Statistical analysis indicated that the aeration rate was the main factor affecting copper and lead inactivation, while the effects of moisture content and composting period were not significant. The rates of reduction of copper-exchangeable fractions and lead-exchangeable fractions were positively correlated with increased pH. The optimal parameters for reducing heavy metal bioavailability during pig manure composting were aeration rate, 0.1 m(3) min(-1) m(-3), initial moisture content, 65%, and composting period, 20 days. © The Author(s) 2016.

Density functional theory studies on the solvent effects in Al(H2O)63+ water-exchange reactions: the number and arrangement of outer-sphere water molecules.

PubMed

Liu, Li; Zhang, Jing; Dong, Shaonan; Zhang, Fuping; Wang, Ye; Bi, Shuping

2018-03-07

Density functional theory (DFT) calculations combined with cluster models are performed at the B3LYP/6-311+G(d,p) level for investigating the solvent effects in Al(H 2 O) 6 3+ water-exchange reactions. A "One-by-one" method is proposed to obtain the most representative number and arrangement of explicit H 2 Os in the second hydration sphere. First, all the possible ways to locate one explicit H 2 O in second sphere (N m ' = 1) based on the gas phase structure (N m ' = 0) are examined, and the optimal pathway (with the lowest energy barrier) for N m ' = 1 is determined. Next, more explicit H 2 Os are added one by one until the inner-sphere is fully hydrogen bonded. Finally, the optimal pathways with N m ' = 0-7 are obtained. The structural and energetic parameters as well as the lifetimes of the transition states are compared with the results obtained with the "Independent-minimum" method and the "Independent-average" method, and all three methods show that the pathway with N m ' = 6 may be representative. Our results give a new idea for finding the representative pathway for water-exchange reactions in other hydrated metal ion systems.

Effects of transverse photon exchange in helium Rydberg states - Corrections beyond the Coulomb-Breit interaction

NASA Technical Reports Server (NTRS)

Au, C. K.

1989-01-01

The Breit correction only accounts for part of the transverse photon exchange correction in the calculation of the energy levels in helium Rydberg states. The remaining leading corrections are identified and each is expressed in an effective potential form. The relevance to the Casimir correction potential in various limits is also discussed.

Serial robot for the trajectory optimization and error compensation of TMT mask exchange system

NASA Astrophysics Data System (ADS)

Wang, Jianping; Zhang, Feifan; Zhou, Zengxiang; Zhai, Chao

2015-10-01

Mask exchange system is the main part of Multi-Object Broadband Imaging Echellette (MOBIE) on the Thirty Meter Telescope (TMT). According to the conception of the TMT mask exchange system, the pre-design was introduced in the paper which was based on IRB 140 robot. The stiffness model of IRB 140 in SolidWorks was analyzed under different gravity vectors for further error compensation. In order to find the right location and path planning, the robot and the mask cassette model was imported into MOBIE model to perform different schemes simulation. And obtained the initial installation position and routing. Based on these initial parameters, IRB 140 robot was operated to simulate the path and estimate the mask exchange time. Meanwhile, MATLAB and ADAMS software were used to perform simulation analysis and optimize the route to acquire the kinematics parameters and compare with the experiment results. After simulation and experimental research mentioned in the paper, the theoretical reference was acquired which could high efficient improve the structure of the mask exchange system parameters optimization of the path and precision of the robot position.

Optimization of instantaneous solvent exchange/surface modification process for ambient synthesis of monolithic silica aerogels.

PubMed

Hwang, Sung-Woo; Kim, Tae-Youn; Hyun, Sang-Hoon

2008-06-01

The instantaneous solvent exchange/surface modification (ISE/SM) process for the ambient synthesis of crack-free silica aerogel monoliths with a high production yield was optimized. Monolithic forms of silica wet gels were obtained from aqueous colloidal silica sols prepared via the ion exchange of sodium silicate solutions. Crack-free silica aerogel monoliths were synthesized via an ISE/SM process using isopropyl alcohol/trimethylchlorosilane as a modification agent and n-hexane as a main solvent, followed by ambient drying. The optimum process conditions of the ISE/SM process were investigated by clarifying the reaction mechanism and phenomena. Most effective ranges of process variables on the ISE/SM stage were determined as 0.2500-0.3567 of TMCS/H2O (pore water) in molar ratio and 15-30 of n-hexane/TMCS in volumetric ratio, with a reaction temperature below 283 K. Crack-free silica aerogel monoliths synthesized via these conditions had a well-developed mesoporous structure and excellent properties (bulk density of 0.12-0.14 g/cm3, specific surface area of 724 m2/g), and a high yield (nearly 80%).

Pionic retardation effects in two-pion-exchange three-nucleon forces

NASA Astrophysics Data System (ADS)

Coon, S. A.; Friar, J. L.

1986-09-01

Those two-pion-exchange three-nucleon forces which arise from nuclear processes that involve only pions and nucleons are calculated. Among the processes which contribute are pion seagulls (e.g., nucleon-antinucleon pair terms) and overlapping, retarded pion exchanges. The resulting potential is shown to be a (v/c)2 relativistic correction, and satisfies nontrivial constraints from special relativity. The relativistic ambiguities found before in treatments of relativistic corrections to the one-pion-exchange nuclear charge operator and two-body potential are also present in the three-nucleon potential. The resulting three-nucleon force differs from the original Tucson-Melbourne potential only in the presence of several new nonlocal terms, and in the specification of the choice of ambiguity parameters in the latter potential.

Information Management for a Large Multidisciplinary Project

NASA Technical Reports Server (NTRS)

Jones, Kennie H.; Randall, Donald P.; Cronin, Catherine K.

1992-01-01

In 1989, NASA's Langley Research Center (LaRC) initiated the High-Speed Airframe Integration Research (HiSAIR) Program to develop and demonstrate an integrated environment for high-speed aircraft design using advanced multidisciplinary analysis and optimization procedures. The major goals of this program were to evolve the interactions among disciplines and promote sharing of information, to provide a timely exchange of information among aeronautical disciplines, and to increase the awareness of the effects each discipline has upon other disciplines. LaRC historically has emphasized the advancement of analysis techniques. HiSAIR was founded to synthesize these advanced methods into a multidisciplinary design process emphasizing information feedback among disciplines and optimization. Crucial to the development of such an environment are the definition of the required data exchanges and the methodology for both recording the information and providing the exchanges in a timely manner. These requirements demand extensive use of data management techniques, graphic visualization, and interactive computing. HiSAIR represents the first attempt at LaRC to promote interdisciplinary information exchange on a large scale using advanced data management methodologies combined with state-of-the-art, scientific visualization techniques on graphics workstations in a distributed computing environment. The subject of this paper is the development of the data management system for HiSAIR.

A liver for a kidney: Ethics of trans-organ paired exchange.

PubMed

Samstein, Benjamin; de Melo-Martin, Inmaculada; Kapur, Sandip; Ratner, Lloyd; Emond, Jean

2018-05-01

Living donation provides important access to organ transplantation, which is the optimal therapy for patients with end-stage liver or kidney failure. Paired exchanges have facilitated thousands of kidney transplants and enable transplantation when the donor and recipient are incompatible. However, frequently willing and otherwise healthy donors have contraindications to the donation of the organ that their recipient needs. Trans-organ paired exchanges would enable a donor associated with a kidney recipient to donate a lobe of liver and a donor associated with a liver recipient to donate a kidney. This article explores some of the ethical concerns that trans-organ exchange might encounter including unbalanced donor risks, the validity of informed consent, and effects on deceased organ donation. © 2018 The American Society of Transplantation and the American Society of Transplant Surgeons.

AN OVERVIEW OF COMPUTATIONAL LIFE SCIENCE DATABASES & EXCHANGE FORMATS OF RELEVANCE TO CHEMICAL BIOLOGY RESEARCH

PubMed Central

Hall, Aaron Smalter; Shan, Yunfeng; Lushington, Gerald; Visvanathan, Mahesh

2016-01-01

Databases and exchange formats describing biological entities such as chemicals and proteins, along with their relationships, are a critical component of research in life sciences disciplines, including chemical biology wherein small information about small molecule properties converges with cellular and molecular biology. Databases for storing biological entities are growing not only in size, but also in type, with many similarities between them and often subtle differences. The data formats available to describe and exchange these entities are numerous as well. In general, each format is optimized for a particular purpose or database, and hence some understanding of these formats is required when choosing one for research purposes. This paper reviews a selection of different databases and data formats with the goal of summarizing their purposes, features, and limitations. Databases are reviewed under the categories of 1) protein interactions, 2) metabolic pathways, 3) chemical interactions, and 4) drug discovery. Representation formats will be discussed according to those describing chemical structures, and those describing genomic/proteomic entities. PMID:22934944

An overview of computational life science databases & exchange formats of relevance to chemical biology research.

PubMed

Smalter Hall, Aaron; Shan, Yunfeng; Lushington, Gerald; Visvanathan, Mahesh

2013-03-01

Databases and exchange formats describing biological entities such as chemicals and proteins, along with their relationships, are a critical component of research in life sciences disciplines, including chemical biology wherein small information about small molecule properties converges with cellular and molecular biology. Databases for storing biological entities are growing not only in size, but also in type, with many similarities between them and often subtle differences. The data formats available to describe and exchange these entities are numerous as well. In general, each format is optimized for a particular purpose or database, and hence some understanding of these formats is required when choosing one for research purposes. This paper reviews a selection of different databases and data formats with the goal of summarizing their purposes, features, and limitations. Databases are reviewed under the categories of 1) protein interactions, 2) metabolic pathways, 3) chemical interactions, and 4) drug discovery. Representation formats will be discussed according to those describing chemical structures, and those describing genomic/proteomic entities.

User requirements for geo-collaborative work with spatio-temporal data in a web-based virtual globe environment.

PubMed

Yovcheva, Zornitza; van Elzakker, Corné P J M; Köbben, Barend

2013-11-01

Web-based tools developed in the last couple of years offer unique opportunities to effectively support scientists in their effort to collaborate. Communication among environmental researchers often involves not only work with geographical (spatial), but also with temporal data and information. Literature still provides limited documentation when it comes to user requirements for effective geo-collaborative work with spatio-temporal data. To start filling this gap, our study adopted a User-Centered Design approach and first explored the user requirements of environmental researchers working on distributed research projects for collaborative dissemination, exchange and work with spatio-temporal data. Our results show that system design will be mainly influenced by the nature and type of data users work with. From the end-users' perspective, optimal conversion of huge files of spatio-temporal data for further dissemination, accuracy of conversion, organization of content and security have a key role for effective geo-collaboration. Copyright © 2012 Elsevier Ltd and The Ergonomics Society. All rights reserved.

The optimization on flow scheme of helium liquefier with genetic algorithm

NASA Astrophysics Data System (ADS)

Wang, H. R.; Xiong, L. Y.; Peng, N.; Liu, L. Q.

2017-01-01

There are several ways to organize the flow scheme of the helium liquefiers, such as arranging the expanders in parallel (reverse Brayton stage) or in series (modified Brayton stages). In this paper, the inlet mass flow and temperatures of expanders in Collins cycle are optimized using genetic algorithm (GA). Results show that maximum liquefaction rate can be obtained when the system is working at the optimal parameters. However, the reliability of the system is not well due to high wheel speed of the first turbine. Study shows that the scheme in which expanders are arranged in series with heat exchangers between them has higher operation reliability but lower plant efficiency when working at the same situation. Considering both liquefaction rate and system stability, another flow scheme is put forward hoping to solve the dilemma. The three configurations are compared from different aspects, they are respectively economic cost, heat exchanger size, system reliability and exergy efficiency. In addition, the effect of heat capacity ratio on heat transfer efficiency is discussed. A conclusion of choosing liquefier configuration is given in the end, which is meaningful for the optimal design of helium liquefier.

Drought limitations to leaf-level gas exchange: results from a model linking stomatal optimization and cohesion-tension theory

Treesearch

Kimberly A. Novick; Chelcy F. Miniat; James M. Vose

2016-01-01

We merge concepts from stomatal optimization theory and cohesion–tension theory to examine the dynamics of three mechanisms that are potentially limiting to leaf-level gas exchange in trees during drought: (1) a ‘demand limitation’ driven by an assumption of optimal stomatal functioning; (2) ‘hydraulic limitation’ of water movement from the roots to the leaves...

Performance analyses of helical coil heat exchangers. The effect of external coil surface modification on heat exchanger effectiveness

NASA Astrophysics Data System (ADS)

Andrzejczyk, Rafał; Muszyński, Tomasz

2016-12-01

The shell and coil heat exchangers are commonly used in heating, ventilation, nuclear industry, process plant, heat recovery and air conditioning systems. This type of recuperators benefits from simple construction, the low value of pressure drops and high heat transfer. In helical coil, centrifugal force is acting on the moving fluid due to the curvature of the tube results in the development. It has been long recognized that the heat transfer in the helical tube is much better than in the straight ones because of the occurrence of secondary flow in planes normal to the main flow inside the helical structure. Helical tubes show good performance in heat transfer enhancement, while the uniform curvature of spiral structure is inconvenient in pipe installation in heat exchangers. Authors have presented their own construction of shell and tube heat exchanger with intensified heat transfer. The purpose of this article is to assess the influence of the surface modification over the performance coefficient and effectiveness. The experiments have been performed for the steady-state heat transfer. Experimental data points were gathered for both laminar and turbulent flow, both for co current- and countercurrent flow arrangement. To find optimal heat transfer intensification on the shell-side authors applied the number of transfer units analysis.

75 FR 47051 - Self-Regulatory Organizations; NYSE Arca, Inc.; Notice of Filing and Immediate Effectiveness of...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-08-04

... Change Amending Rule 7.31(x) July 29, 2010. Pursuant to Section 19(b)(1) \\1\\ of the Securities Exchange... Exchange proposes to amend Rule 7.31(x). The text of the proposed rule change is available on the Exchange....31(x) defines the Primary Only (``PO'') Order, which allows ETP Holders to direct an order to the...

Nesting behaviour influences species-specific gas exchange across avian eggshells.

PubMed

Portugal, Steven J; Maurer, Golo; Thomas, Gavin H; Hauber, Mark E; Grim, Tomáš; Cassey, Phillip

2014-09-15

Carefully controlled gas exchange across the eggshell is essential for the development of the avian embryo. Water vapour conductance (G(H2O)) across the shell, typically measured as mass loss during incubation, has been demonstrated to optimally ensure the healthy development of the embryo while avoiding desiccation. Accordingly, eggs exposed to sub-optimal gas exchange have reduced hatching success. We tested the association between eggshell G(H2O) and putative life-history correlates of adult birds, ecological nest parameters and physical characteristics of the egg itself to investigate how variation in G(H2O) has evolved to maintain optimal water loss across a diverse set of nest environments. We measured gas exchange through eggshell fragments in 151 British breeding bird species and fitted phylogenetically controlled, general linear models to test the relationship between G(H2O) and potential predictor parameters of each species. Of our 17 life-history traits, only two were retained in the final model: wet-incubating parent and nest type. Eggs of species where the parent habitually returned to the nest with wet plumage had significantly higher G(H2O) than those of parents that returned to the nest with dry plumage. Eggs of species nesting in ground burrows, cliffs and arboreal cups had significantly higher G(H2O) than those of species nesting on the ground in open nests or cups, in tree cavities and in shallow arboreal nests. Phylogenetic signal (measured as Pagel's λ) was intermediate in magnitude, suggesting that differences observed in the G(H2O) are dependent upon a combination of shared ancestry and species-specific life history and ecological traits. Although these data are correlational by nature, they are consistent with the hypothesis that parents constrained to return to the nest with wet plumage will increase the humidity of the nest environment, and the eggs of these species have evolved a higher G(H2O) to overcome this constraint and still achieve optimal water loss during incubation. We also suggest that eggs laid in cup nests and burrows may require a higher G(H2O) to overcome the increased humidity as a result from the confined nest microclimate lacking air movements through the nest. Taken together, these comparative data imply that species-specific levels of gas exchange across avian eggshells are variable and evolve in response to ecological and physical variation resulting from parental and nesting behaviours. © 2014. Published by The Company of Biologists Ltd.

Spin-locking versus chemical exchange saturation transfer MRI for investigating chemical exchange process between water and labile metabolite protons.

PubMed

Jin, Tao; Autio, Joonas; Obata, Takayuki; Kim, Seong-Gi

2011-05-01

Chemical exchange saturation transfer (CEST) and spin-locking (SL) experiments were both able to probe the exchange process between protons of nonequivalent chemical environments. To compare the characteristics of the CEST and SL approaches in the study of chemical exchange effects, we performed CEST and SL experiments at varied pH and concentrated metabolite phantoms with exchangeable amide, amine, and hydroxyl protons at 9.4 T. Our results show that: (i) on-resonance SL is most sensitive to chemical exchanges in the intermediate-exchange regime and is able to detect hydroxyl and amine protons on a millimolar concentration scale. Off-resonance SL and CEST approaches are sensitive to slow-exchanging protons when an optimal SL or saturation pulse power matches the exchanging rate, respectively. (ii) Offset frequency-dependent SL and CEST spectra are very similar and can be explained well with an SL model recently developed by Trott and Palmer (J Magn Reson 2002;154:157-160). (iii) The exchange rate and population of metabolite protons can be determined from offset-dependent SL or CEST spectra or from on-resonance SL relaxation dispersion measurements. (iv) The asymmetry of the magnetization transfer ratio (MTR(asym)) is highly dependent on the choice of saturation pulse power. In the intermediate-exchange regime, MTR(asym) becomes complicated and should be interpreted with care. Copyright © 2010 Wiley-Liss, Inc.

Enhanced exchange bias and improved ferromagnetic properties in Permalloy-BiFe0.95Co0.05O3 core-shell nanostructures.

PubMed

Javed, K; Li, W J; Ali, S S; Shi, D W; Khan, U; Riaz, S; Han, X F

2015-12-14

Hybrid core-shell nanostructures consisting of permalloy (Ni80Fe20) and multiferroic(BiFeO3, BFO/BiFe0.95Co0.05O3, BFC) materials were synthesized by a two-step method, based on wet chemical impregnation and subsequent electrodeposition within porous alumina membranes. Structural and magnetic characterizations have been done to investigate doping effect on magnetic properties and exchange bias. The magnetometry analysis revealed significant enhancements of the exchange bias and coercivity in NiFe-BFC core-shell nanostructures as compared with NiFe-BFO core-shell nanostructures. The enhancements can be attributed to the effective reduction of ferromagnet domain sizes between adjacent layers of core-shell structure. It indicates that it is possible to improve properties of multiferroic composites by site-engineering method. Our approach opens a pathway to obtain optimized nanostructured multiferroic composites exhibiting tunable magnetic properties.

Enhanced exchange bias and improved ferromagnetic properties in Permalloy–BiFe0.95Co0.05O3 core–shell nanostructures

PubMed Central

Javed, K.; Li, W. J.; Ali, S. S.; Shi, D. W.; Khan, U.; Riaz, S.; Han, X. F.

2015-01-01

Hybrid core–shell nanostructures consisting of permalloy (Ni80Fe20) and multiferroic(BiFeO3, BFO/BiFe0.95Co0.05O3, BFC) materials were synthesized by a two-step method, based on wet chemical impregnation and subsequent electrodeposition within porous alumina membranes. Structural and magnetic characterizations have been done to investigate doping effect on magnetic properties and exchange bias. The magnetometry analysis revealed significant enhancements of the exchange bias and coercivity in NiFe-BFC core-shell nanostructures as compared with NiFe-BFO core-shell nanostructures. The enhancements can be attributed to the effective reduction of ferromagnet domain sizes between adjacent layers of core-shell structure. It indicates that it is possible to improve properties of multiferroic composites by site-engineering method. Our approach opens a pathway to obtain optimized nanostructured multiferroic composites exhibiting tunable magnetic properties. PMID:26658956

The use of experimental design to find the operating maximum power point of PEM fuel cells

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

Crăciunescu, Aurelian; Pătularu, Laurenţiu; Ciumbulea, Gloria

2015-03-10

Proton Exchange Membrane (PEM) Fuel Cells are difficult to model due to their complex nonlinear nature. In this paper, the development of a PEM Fuel Cells mathematical model based on the Design of Experiment methodology is described. The Design of Experiment provides a very efficient methodology to obtain a mathematical model for the studied multivariable system with only a few experiments. The obtained results can be used for optimization and control of the PEM Fuel Cells systems.

Stochastic multi-objective model for optimal energy exchange optimization of networked microgrids with presence of renewable generation under risk-based strategies.

PubMed

Gazijahani, Farhad Samadi; Ravadanegh, Sajad Najafi; Salehi, Javad

2018-02-01

The inherent volatility and unpredictable nature of renewable generations and load demand pose considerable challenges for energy exchange optimization of microgrids (MG). To address these challenges, this paper proposes a new risk-based multi-objective energy exchange optimization for networked MGs from economic and reliability standpoints under load consumption and renewable power generation uncertainties. In so doing, three various risk-based strategies are distinguished by using conditional value at risk (CVaR) approach. The proposed model is specified as a two-distinct objective function. The first function minimizes the operation and maintenance costs, cost of power transaction between upstream network and MGs as well as power loss cost, whereas the second function minimizes the energy not supplied (ENS) value. Furthermore, the stochastic scenario-based approach is incorporated into the approach in order to handle the uncertainty. Also, Kantorovich distance scenario reduction method has been implemented to reduce the computational burden. Finally, non-dominated sorting genetic algorithm (NSGAII) is applied to minimize the objective functions simultaneously and the best solution is extracted by fuzzy satisfying method with respect to risk-based strategies. To indicate the performance of the proposed model, it is performed on the modified IEEE 33-bus distribution system and the obtained results show that the presented approach can be considered as an efficient tool for optimal energy exchange optimization of MGs. Copyright © 2017 ISA. Published by Elsevier Ltd. All rights reserved.

Phosphatidylethanolamine Synthesis by Castor Bean Endosperm 1

PubMed Central

Shin, Sungho; Moore, Thomas S.

1990-01-01

A base exchange reaction for synthesis of phosphatidylethanolamine by the endoplasmic reticulum of castor bean (Ricinus comminus L. var Hale) endosperm has been examined. The calculated Michaelis-Menten constant of the enzyme for ethanolamine was 5 micromolar and the optimal pH was 7.8 in the presence of 2 millimolar CaCl2. l-Serine, N-methylethanolamine and N,N-dimethylethanolamine all reduced ethanolamine incorporation, while d-serine and myo-inositol had little effect. These inhibitions of ethanolamine incorporation were found to be noncompetitive and ethanolamine also noncompetitively inhibited l-serine incorporation by exchange. The activity of the ethanolamine base exchange enzyme was affected by several detergents, with the best activity being obtained with the zwitterionic defjtergent 3-3-cholamidopropyl) dimethylammonio-2-hydroxyl-1-propanesulfonate. PMID:16667427

In situ magnetic compensation for potassium spin-exchange relaxation-free magnetometer considering probe beam pumping effect.

PubMed

Fang, Jiancheng; Wang, Tao; Quan, Wei; Yuan, Heng; Zhang, Hong; Li, Yang; Zou, Sheng

2014-06-01

A novel method to compensate the residual magnetic field for an atomic magnetometer consisting of two perpendicular beams of polarizations was demonstrated in this paper. The method can realize magnetic compensation in the case where the pumping rate of the probe beam cannot be ignored. In the experiment, the probe beam is always linearly polarized, whereas, the probe beam contains a residual circular component due to the imperfection of the polarizer, which leads to the pumping effect of the probe beam. A simulation of the probe beam's optical rotation and pumping rate was demonstrated. At the optimized points, the wavelength of the probe beam was optimized to achieve the largest optical rotation. Although, there is a small circular component in the linearly polarized probe beam, the pumping rate of the probe beam was non-negligible at the optimized wavelength which if ignored would lead to inaccuracies in the magnetic field compensation. Therefore, the dynamic equation of spin evolution was solved by considering the pumping effect of the probe beam. Based on the quasi-static solution, a novel magnetic compensation method was proposed, which contains two main steps: (1) the non-pumping compensation and (2) the sequence compensation with a very specific sequence. After these two main steps, a three-axis in situ magnetic compensation was achieved. The compensation method was suitable to design closed-loop spin-exchange relaxation-free magnetometer. By a combination of the magnetic compensation and the optimization, the magnetic field sensitivity was approximately 4 fT/Hz(1/2), which was mainly dominated by the noise of the magnetic shield.

Pionic retardation effects in two-pion-exchange three-nucleon forces

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

Coon, S.A.; Friar, J.L.

1986-09-01

Those two-pion-exchange three-nucleon forces which arise from nuclear processes that involve only pions and nucleons are calculated. Among the processes which contribute are pion seagulls (e.g., nucleon-antinucleon pair terms) and overlapping, retarded pion exchanges. The resulting potential is shown to be a (v-italic/c-italic)/sup 2/ relativistic correction, and satisfies nontrivial constraints from special relativity. The relativistic ambiguities found before in treatments of relativistic corrections to the one-pion-exchange nuclear charge operator and two-body potential are also present in the three-nucleon potential. The resulting three-nucleon force differs from the original Tucson-Melbourne potential only in the presence of several new nonlocal terms, and inmore » the specification of the choice of ambiguity parameters in the latter potential.« less

Development of a purification procedure for the isolation of nucleosides from urine prior to mass spectrometric analysis.

PubMed

Dudley, E; El-Shakawi, S; Games, D E; Newton, R P

2000-03-01

A chromatographic separation of nucleosides from urine has been developed in order to facilitate their mass spectrometric analysis for clinical diagnosis. A number of chromatographic resins were studied in order to develop an effective and efficient purification procedure. The optimized sequential protocol comprises a centrifugation, acidification and neutralization step, followed by application of an affinity chromatographic column and finally further separation on an acidic cation exchange column and a basic anion exchanger. This scheme shows effective clean-up of a standard radiolabelled nucleoside with a recovery of 92.5%, and recovery of nucleosides added to urine samples before extraction showed recoveries of 72-82%.

Enhancing recovery of recombinant hepatitis B surface antigen in lab-scale and large-scale anion-exchange chromatography by optimizing the conductivity of buffers.

PubMed

Mojarrad Moghanloo, Gol Mohammad; Khatami, Maryam; Javidanbardan, Amin; Hosseini, Seyed Nezamedin

2018-01-01

In biopharmaceutical science, ion-exchange chromatography (IEC) is a well-known purification technique to separate the impurities such as host cell proteins from recombinant proteins. However, IEC is one of the limiting steps in the purification process of recombinant hepatitis B surface antigen (rHBsAg), due to its low recovery rate (<50%). In the current study, we hypothesized that ionic strengths of IEC buffers are easy-to-control parameters which can play a major role in optimizing the process and increasing the recovery. Thus, we investigated the effects of ionic strengths of buffers on rHBsAg recovery via adjusting Tris-HCl and NaCl concentrations. Increasing the conductivity of equilibration (Eq.), washing (Wash.) and elution (Elut.) buffers from their initial values of 1.6 mS/cm, 1.6 mS/cm, and 7.0 mS/cm to 1.6 mS/cm, 7 mS/cm and 50 mS/cm, respectively yielded an average recovery rate of 82% in both lab-scale and large-scale weak anion-exchange chromatography without any harsh effect on the purity percentage of rHBsAg. The recovery enhancement via increasing the conductivity of Eq. and Wash. buffers can be explained by their roles in reducing the binding strength and aggregation of retained particles in the column. Moreover, further increase in the salt concentration of Elut. Buffer could substantially promote the ion exchange process and the elution of retained rHBsAg. Copyright © 2017 Elsevier Inc. All rights reserved.

Food Exchange List and Dietary Management of Non-Communicable Diseases in Cultural Perspective.

PubMed

Khan, Mahnaz Nasir; Kalsoom, Samia; Khan, Ayyaz Ali

2017-01-01

This review focuses at highlighting the importance of Food Exchange List in cultural perspective, as an effective dietary tool to help individuals' manage their dietary modifications in relation to non communicable diseases whilst specifying measures that can help improve the quality of Food Exchange Lists for combating various non communicable diseases and addressing adherence related issues to specialized diets. A search was done using PubMed & Google Scholar till June 2016. Search terms used were food exchange list AND disease, diet AND non-communicable diseases. We included only studies that discussed Food Exchange List (FEL) in relation to non-communicable diseases; in addition to factors like cultural relevance and adherence. Out of the 837 papers accessed 57 were identified as relevant to the Food Exchange List, out of which 39 papers were focused to the concept and development of the Food Exchange List. Only 18 discussed FEL in relation to non communicable diseases and were thus included in the review. Food exchange list is a user friendly tool for dietary modification due to disease. This tool may help to customize meals for people as it provides information regarding various food items in different groups. This tool is helpful in reducing blood & plasma glucose levels, maintaining lipid profile & effectively combating other diet related diseases & those ailments in which diet plays a significant role in maintenance & prevention from reoccurrences. However, better management and adherence to modified diets for non communicable diseases can be ensured by keeping cultural relevance under consideration before using Food Exchange Lists for such diseases.

When more of the same is better

NASA Astrophysics Data System (ADS)

Fontanari, José F.

2016-01-01

Problem solving (e.g., drug design, traffic engineering, software development) by task forces represents a substantial portion of the economy of developed countries. Here we use an agent-based model of cooperative problem-solving systems to study the influence of diversity on the performance of a task force. We assume that agents cooperate by exchanging information on their partial success and use that information to imitate the more successful agent in the system —the model. The agents differ only in their propensities to copy the model. We find that, for easy tasks, the optimal organization is a homogeneous system composed of agents with the highest possible copy propensities. For difficult tasks, we find that diversity can prevent the system from being trapped in sub-optimal solutions. However, when the system size is adjusted to maximize the performance the homogeneous systems outperform the heterogeneous systems, i.e., for optimal performance, sameness should be preferred to diversity.

A test of the optimality approach to modelling canopy properties and CO2 uptake by natural vegetation.

PubMed

Schymanski, Stanislaus J; Roderick, Michael L; Sivapalan, Murugesu; Hutley, Lindsay B; Beringer, Jason

2007-12-01

Photosynthesis provides plants with their main building material, carbohydrates, and with the energy necessary to thrive and prosper in their environment. We expect, therefore, that natural vegetation would evolve optimally to maximize its net carbon profit (NCP), the difference between carbon acquired by photosynthesis and carbon spent on maintenance of the organs involved in its uptake. We modelled N(CP) for an optimal vegetation for a site in the wet-dry tropics of north Australia based on this hypothesis and on an ecophysiological gas exchange and photosynthesis model, and compared the modelled CO2 fluxes and canopy properties with observations from the site. The comparison gives insights into theoretical and real controls on gas exchange and canopy structure, and supports the optimality approach for the modelling of gas exchange of natural vegetation. The main advantage of the optimality approach we adopt is that no assumptions about the particular vegetation of a site are required, making it a very powerful tool for predicting vegetation response to long-term climate or land use change.

On optimizing the treatment of exchange perturbations.

NASA Technical Reports Server (NTRS)

Hirschfelder, J. O.; Chipman, D. M.

1972-01-01

Most theories of exchange perturbations would give the exact energy and wave function if carried out to an infinite order. However, the different methods give different values for the second-order energy, and different values for E(1), the expectation value of the Hamiltonian corresponding to the zeroth- plus first-order wave function. In the presented paper, it is shown that the zeroth- plus first-order wave function obtained by optimizing the basic equation which is used in most exchange perturbation treatments is the exact wave function for the perturbation system and E(1) is the exact energy.

Electric field effect on exchange interaction in ultrathin Co films with ionic liquids

NASA Astrophysics Data System (ADS)

Ishibashi, Mio; Yamada, Kihiro T.; Shiota, Yoichi; Ando, Fuyuki; Koyama, Tomohiro; Kakizakai, Haruka; Mizuno, Hayato; Miwa, Kazumoto; Ono, Shimpei; Moriyama, Takahiro; Chiba, Daichi; Ono, Teruo

2018-06-01

Electric-field modulations of magnetic properties have been extensively studied not only for practical applications but also for fundamental interest. In this study, we investigated the electric field effect on the exchange interaction in ultrathin Co films with ionic liquids. The exchange coupling J was characterized from the direct magnetization measurement as a function of temperature using Pt/ultrathin Co/MgO structures. The trend of the electric field effect on J is in good agreement with that of the theoretical prediction, and a large change in J by applying a gate voltage was observed by forming an electric double layer using ionic liquids.

Rational design on controlled release ion-exchange polymeric microspheres and polymer-lipid hybrid nanoparticles for the delivery of water-soluble drugs through a multidisciplinary approach

NASA Astrophysics Data System (ADS)

Li, Yongqiang

Sulfopropyl dextran sulfate (SP-DS) microspheres and polymer-lipid hybrid nanoparticles (PLN) for the delivery of water-soluble anticancer drugs and P-glycoprotein inhibitors were developed by our group recently and demonstrated effectiveness in local chemotherapy. To optimize the delivery performance of these particulate systems, particularly PLN, an integrated multidisciplinary approach was developed, based on an in-depth understanding of drug-excipient interactions, internal structure, drug loading and release mechanisms, and application of advanced modeling/optimization techniques. An artificial neural networks (ANN) simulator capable of formulation optimization and drug release prediction was developed. In vitro drug release kinetics of SP-DS microspheres, with various drug loading and in different release media, were predicted by ANN. The effects of independent variables on drug release were evaluated. Good modeling performance suggested that ANN is a useful tool to predict drug release from ion-exchange microspheres. To further improve the performance of PLN, drug-polymer-lipid interactions were characterized theoretically and experimentally using verapamil hydrochloride (VRP) as a model drug and dextran sulfate sodium (DS) as a counter-ion polymer. VRP-DS complexation followed a stoichiometric rule and solid-state transformation of VRP were observed. Dodecanoic acid (DA) was identified as the lead lipid carrier material. Based upon the optimized drug-polymer-lipid interactions, PLN with high drug loading capacity (36%, w/w) and sustained release without initial burst release were achieved. VRP remained amorphous and was molecularly dispersed within PLN. H-bonding contributed to the miscibility between the VRP-DS complex and DA. Drug release from PLN was mainly controlled by diffusion and ion-exchange processes. Drug loading capacity and particle size of PLN depend on the formulation factors of the weight ratio of drug to lipid and concentrations of surfactants applied. A three-factor spherical composite experimental design was used to map the cause-and-effect relationship. PLN with high drug loading efficiency (92%) and small particle size (100 nm) were predicted by ANN and confirmed by experiment. The roles of various factors on the properties of PLN were also investigated. In summary, this thesis demonstrates that an integrated multidisciplinary strategy ranging from preformulation to formulation to optimization is suitable for the rational design of SP-DS microspheres and PLN with desired properties.

Parametric Optimization of Thermoelectric Generators for Waste Heat Recovery

NASA Astrophysics Data System (ADS)

Huang, Shouyuan; Xu, Xianfan

2016-10-01

This paper presents a methodology for design optimization of thermoelectric-based waste heat recovery systems called thermoelectric generators (TEGs). The aim is to maximize the power output from thermoelectrics which are used as add-on modules to an existing gas-phase heat exchanger, without negative impacts, e.g., maintaining a minimum heat dissipation rate from the hot side. A numerical model is proposed for TEG coupled heat transfer and electrical power output. This finite-volume-based model simulates different types of heat exchangers, i.e., counter-flow and cross-flow, for TEGs. Multiple-filled skutterudites and bismuth-telluride-based thermoelectric modules (TEMs) are applied, respectively, in higher and lower temperature regions. The response surface methodology is implemented to determine the optimized TEG size along and across the flow direction and the height of thermoelectric couple legs, and to analyze their covariance and relative sensitivity. A genetic algorithm is employed to verify the globality of the optimum. The presented method will be generally useful for optimizing heat-exchanger-based TEG performance.

A Method for Optimal Load Dispatch of a Multi-zone Power System with Zonal Exchange Constraints

NASA Astrophysics Data System (ADS)

Hazarika, Durlav; Das, Ranjay

2018-04-01

This paper presented a method for economic generation scheduling of a multi-zone power system having inter zonal operational constraints. For this purpose, the generator rescheduling for a multi area power system having inter zonal operational constraints has been represented as a two step optimal generation scheduling problem. At first, the optimal generation scheduling has been carried out for the zone having surplus or deficient generation with proper spinning reserve using co-ordination equation. The power exchange required for the deficit zones and zones having no generation are estimated based on load demand and generation for the zone. The incremental transmission loss formulas for the transmission lines participating in the power transfer process among the zones are formulated. Using these, incremental transmission loss expression in co-ordination equation, the optimal generation scheduling for the zonal exchange has been determined. Simulation is carried out on IEEE 118 bus test system to examine the applicability and validity of the method.

Health information exchange policies of 11 diverse health systems and the associated impact on volume of exchange.

PubMed

Downing, N Lance; Adler-Milstein, Julia; Palma, Jonathan P; Lane, Steven; Eisenberg, Matthew; Sharp, Christopher; Longhurst, Christopher A

2017-01-01

Provider organizations increasingly have the ability to exchange patient health information electronically. Organizational health information exchange (HIE) policy decisions can impact the extent to which external information is readily available to providers, but this relationship has not been well studied. Our objective was to examine the relationship between electronic exchange of patient health information across organizations and organizational HIE policy decisions. We focused on 2 key decisions: whether to automatically search for information from other organizations and whether to require HIE-specific patient consent. We conducted a retrospective time series analysis of the effect of automatic querying and the patient consent requirement on the monthly volume of clinical summaries exchanged. We could not assess degree of use or usefulness of summaries, organizational decision-making processes, or generalizability to other vendors. Between 2013 and 2015, clinical summary exchange volume increased by 1349% across 11 organizations. Nine of the 11 systems were set up to enable auto-querying, and auto-querying was associated with a significant increase in the monthly rate of exchange (P = .006 for change in trend). Seven of the 11 organizations did not require patient consent specifically for HIE, and these organizations experienced a greater increase in volume of exchange over time compared to organizations that required consent. Automatic querying and limited consent requirements are organizational HIE policy decisions that impact the volume of exchange, and ultimately the information available to providers to support optimal care. Future efforts to ensure effective HIE may need to explicitly address these factors. © The Author 2016. Published by Oxford University Press on behalf of the American Medical Informatics Association.

Fractionation of equine antivenom using caprylic acid precipitation in combination with cationic ion-exchange chromatography.

PubMed

Raweerith, Rutai; Ratanabanangkoon, Kavi

2003-11-01

A combined process of caprylic acid (CA) precipitation and ion-exchange chromatography on SP-Sepharose was studied as a means to fractionate pepsin-digested horse antivenom F(ab')(2) antibody. In the CA precipitation, the optimal concentration for fractionation of F(ab')(2) from pepsin-digested horse plasma was 2%, in which 89.61% of F(ab')(2) antibody activity was recovered in the supernatant with 1.5-fold purification. A significant amount of pepsin was not precipitated and remained active under these conditions. An analytical cation exchanger Protein-Pak SP 8HR HPLC column was tested to establish optimal conditions for the effective separation of IgG, albumin, pepsin and CA from the F(ab')(2) product. From these results, the supernatant from CA precipitation of pepsin-digested plasma was subjected to a SP-Sepharose column chromatography using a linear salt gradient. With stepwise elution, a peak containing F(ab')(2) antibody could be obtained by elution with 0.25 M NaCl. The total recovery of antibody was 65.56% with 2.91-fold purification, which was higher than that achieved by ammonium sulfate precipitation. This process simultaneously and effectively removed residual pepsin, high molecular weight aggregates and CA in the final F(ab')(2) product, and should be suitable for large-scale fractionation of therapeutic equine antivenoms.

A multi-group firefly algorithm for numerical optimization

NASA Astrophysics Data System (ADS)

Tong, Nan; Fu, Qiang; Zhong, Caiming; Wang, Pengjun

2017-08-01

To solve the problem of premature convergence of firefly algorithm (FA), this paper analyzes the evolution mechanism of the algorithm, and proposes an improved Firefly algorithm based on modified evolution model and multi-group learning mechanism (IMGFA). A Firefly colony is divided into several subgroups with different model parameters. Within each subgroup, the optimal firefly is responsible for leading the others fireflies to implement the early global evolution, and establish the information mutual system among the fireflies. And then, each firefly achieves local search by following the brighter firefly in its neighbors. At the same time, learning mechanism among the best fireflies in various subgroups to exchange information can help the population to obtain global optimization goals more effectively. Experimental results verify the effectiveness of the proposed algorithm.

Quantification of the heat exchange of chicken eggs.

PubMed

Van Brecht, A; Hens, H; Lemaire, J L; Aerts, J M; Degraeve, P; Berckmans, D

2005-03-01

In the incubation process of domestic avian eggs, the development of the embryo is mainly influenced by the physical microenvironment around the egg. Only small spatiotemporal deviations in the optimal incubator air temperature are allowed to optimize hatchability and hatchling quality. The temperature of the embryo depends on 3 factors: (1) the air temperature, (2) the exchange of heat between the egg and its microenvironment and (3) the time-variable heat production of the embryo. Theoretical estimates on the heat exchange between an egg and its physical microenvironment are approximated using equations that assume an approximate spherical shape for eggs. The objective of this research was to determine the heat transfer between the eggshell and its microenvironment and then compare this value to various theoretical estimates. By using experimental data, the overall and the convective heat transfer coefficients were determined as a function of heat production, air humidity, air speed, and air temperature. Heat transfer was not affected by air humidity but solely by air temperature, embryonic heat generation, and air speed and flow around eggs. Also, heat transfer in forced-air incubators occurs mainly by convective heat loss, which is dependent on the speed of airflow. A vertical airflow is more efficient than a horizontal airflow in transferring heat from the egg. We showed that describing an egg as a sphere underestimated convective heat transfer by 33% and was, therefore, too simplistic to accurately assess actual heat transfer from real eggs.

A second-order unconstrained optimization method for canonical-ensemble density-functional methods

NASA Astrophysics Data System (ADS)

Nygaard, Cecilie R.; Olsen, Jeppe

2013-03-01

A second order converging method of ensemble optimization (SOEO) in the framework of Kohn-Sham Density-Functional Theory is presented, where the energy is minimized with respect to an ensemble density matrix. It is general in the sense that the number of fractionally occupied orbitals is not predefined, but rather it is optimized by the algorithm. SOEO is a second order Newton-Raphson method of optimization, where both the form of the orbitals and the occupation numbers are optimized simultaneously. To keep the occupation numbers between zero and two, a set of occupation angles is defined, from which the occupation numbers are expressed as trigonometric functions. The total number of electrons is controlled by a built-in second order restriction of the Newton-Raphson equations, which can be deactivated in the case of a grand-canonical ensemble (where the total number of electrons is allowed to change). To test the optimization method, dissociation curves for diatomic carbon are produced using different functionals for the exchange-correlation energy. These curves show that SOEO favors symmetry broken pure-state solutions when using functionals with exact exchange such as Hartree-Fock and Becke three-parameter Lee-Yang-Parr. This is explained by an unphysical contribution to the exact exchange energy from interactions between fractional occupations. For functionals without exact exchange, such as local density approximation or Becke Lee-Yang-Parr, ensemble solutions are favored at interatomic distances larger than the equilibrium distance. Calculations on the chromium dimer are also discussed. They show that SOEO is able to converge to ensemble solutions for systems that are more complicated than diatomic carbon.

Time-dependent density-functional theory with optimized effective potential and self-interaction correction and derivative discontinuity for the treatment of double ionization of He and Be atoms in intense laser fields

NASA Astrophysics Data System (ADS)

Heslar, John; Telnov, Dmitry A.; Chu, Shih-I.

2013-05-01

We present a self-interaction-free time-dependent density-functional theory (TDDFT) for the treatment of double-ionization processes of many-electron systems. The method is based on the extension of the Krieger-Li-Iafrate (KLI) treatment of the optimized effective potential (OEP) theory and the incorporation of an explicit self-interaction correction (SIC) term. In the framework of the time-dependent density functional theory, we have performed three-dimensional (3D) calculations of double ionization of He and Be atoms by intense near-infrared laser fields. We make use of the exchange-correlation potential with the integer discontinuity which improves the description of the double-ionization process. We found that a proper description of the double ionization requires the TDDFT exchange-correlation potential with the discontinuity with respect to the variation of the total particle number (TPN). The results for the intensity-dependent rates of double ionization of He and Be atoms are presented.

Cumulative Significance of Hyporheic Exchange and Biogeochemical Processing in River Networks

NASA Astrophysics Data System (ADS)

Harvey, J. W.; Gomez-Velez, J. D.

2014-12-01

Biogeochemical reactions in rivers that decrease excessive loads of nutrients, metals, organic compounds, etc. are enhanced by hydrologic interactions with microbially and geochemically active sediments of the hyporheic zone. The significance of reactions in individual hyporheic flow paths has been shown to be controlled by the contact time between river water and sediment and the intrinsic reaction rate in the sediment. However, little is known about how the cumulative effects of hyporheic processing in large river basins. We used the river network model NEXSS (Gomez-Velez and Harvey, submitted) to simulate hyporheic exchange through synthetic river networks based on the best available models of network topology, hydraulic geometry and scaling of geomorphic features, grain size, hydraulic conductivity, and intrinsic reaction rates of nutrients and metals in river sediment. The dimensionless reaction significance factor, RSF (Harvey et al., 2013) was used to quantify the cumulative removal fraction of a reactive solute by hyporheic processing. SF scales reaction progress in a single pass through the hyporheic zone with the proportion of stream discharge passing through the hyporheic zone for a specified distance. Reaction progress is optimal where the intrinsic reaction timescale in sediment matches the residence time of hyporheic flow and is less efficient in longer residence time hyporheic flow as a result of the decreasing proportion of river flow that is processed by longer residence time hyporheic flow paths. In contrast, higher fluxes through short residence time hyporheic flow paths may be inefficient because of the repeated surface-subsurface exchanges required to complete the reaction. Using NEXSS we found that reaction efficiency may be high in both small streams and large rivers, although for different reasons. In small streams reaction progress generally is dominated by faster pathways of vertical exchange beneath submerged bedforms. Slower exchange beneath meandering river banks mainly has importance only in large rivers. For solutes entering networks in proportion to water inputs it is the lower order streams that tend to dominate cumulative reaction progress.

Non-invasive monitoring and modelling of the root active zones: progresses, caveats and outlook.

NASA Astrophysics Data System (ADS)

Cassiani, G.; Putti, M.; Boaga, J.; Busato, L.; Vanella, D.; Consoli, S.

2016-12-01

Roots play a fundamental role in soil-plant-atmosphere interactions as they not only control water and nutrient exchanges necessary for plant sustenance, but also largely contribute, through the plant system, to the mass and energy exchanges between soil and atmosphere. Therefore understanding root zone processes is of major importance not only for crop management but also for wider scale catchment and global issues. Geophysical methods can greatly contribute to imaging the root zone geometry and processes, provided that high-resolution, time-lapse measurements are set up, and provided that the survey design takes into due considerations the expected processes to be imaged. In this respect, modelling and monitoring go hand in hand not only a-posteriori to try and interpret the data, but also a-priori in the attempt to optimise monitoring strategies. In this work we present a few case studies concerning root monitoring using ERT with the support of ancillary data of hydrological and physiological nature. Different degrees of integration with modelling will be presented, with the aim of showing how a full Data Assimilation scheme can be built. In addition, the results will help address fundamental questions such as: (a) is root growth controlled by optimality principles under the constraints posed by soil hydraulic and mechanical properties, by water and nutrient availability and by plant competition? (b) is the optimality above also controlling the dynamic processing of root adaptation to changing constraints? (c) to what extent can these processes of soil-plant interaction be monitored in controlled conditions as well as in true-life environments? These questions, and the availability of ever advancing modelling and monitoring capabilities, are likely to develop into a growing and exciting field of research.

Experimental study on the optimal purge duration of a proton exchange membrane fuel cell with a dead-ended anode

NASA Astrophysics Data System (ADS)

Lin, Yu-Fen; Chen, Yong-Song

2017-02-01

When a proton exchange membrane fuel cell (PEMFC) is operated with a dead-ended anode, impurities gradually accumulate within the anode, resulting in a performance drop. An anode purge is thereby ultimately required to remove impurities within the anode. A purge strategy comprises purge interval (valve closed) and purge duration (valve is open). A short purge interval causes frequent and unnecessary activation of the valve, whereas a long purge interval leads to excessive impurity accumulation. A short purge duration causes an incomplete performance recovery, whereas a long purge duration results in low hydrogen utilization. In this study, a series of experimental trials was conducted to simultaneously measure the hydrogen supply rate and power generation of a PEMFC at a frequency of 50 Hz for various operating current density levels and purge durations. The effect of purge duration on the cell's energy efficiency was subsequently analyzed and discussed. The results showed that the optimal purge duration for the PEMFC was approximately 0.2 s. Based on the results of this study, a methodical process for determining optimal purge durations was ultimately proposed for widespread application. Purging approximately one-fourth of anode gas can obtain optimal energy efficiency for a PEMFC with a dead-ended anode.

Self-optimizing charge-transfer energy phenomena in metallosupramolecular complexes by dynamic constitutional self-sorting.

PubMed

Legrand, Yves-Marie; van der Lee, Arie; Barboiu, Mihail

2007-11-12

In this paper we report an extended series of 2,6-(iminoarene)pyridine-type ZnII complexes [(Lii)2Zn]II, which were surveyed for their ability to self-exchange both their ligands and their aromatic arms and to form different homoduplex and heteroduplex complexes in solution. The self-sorting of heteroduplex complexes is likely to be the result of geometric constraints. Whereas the imine-exchange process occurs quantitatively in 1:1 mixtures of [(Lii)2Zn]II complexes, the octahedral coordination process around the metal ion defines spatial-frustrated exchanges that involve the selective formation of heterocomplexes of two, by two different substituents; the bulkiest ones (pyrene in principle) specifically interact with the pseudoterpyridine core, sterically hindering the least bulky ones, which are intermolecularly stacked with similar ligands of neighboring molecules. Such a self-sorting process defined by the specific self-constitution of the ligands exchanging their aromatic substituents is self-optimized by a specific control over their spatial orientation around a metal center within the complex. They ultimately show an improved charge-transfer energy function by virtue of the dynamic amplification of self-optimized heteroduplex architectures. These systems therefore illustrate the convergence of the combinatorial self-sorting of the dynamic combinatorial libraries (DCLs) strategy and the constitutional self-optimized function.

The anti-hepatitis drug use effect and inventory management optimization from the perspective of hospital drug supply chain.

PubMed

Liu, Zhanyu

2017-09-01

By analyzing the current hospital anti hepatitis drug use, dosage, indications and drug resistance, this article studied the drug inventory management and cost optimization. The author used drug utilization evaluation method, analyzed the amount and kind distribution of anti hepatitis drugs and made dynamic monitoring of inventory. At the same time, the author puts forward an effective scheme of drug classification management, uses the ABC classification method to classify the drugs according to the average daily dose of drugs, and implements the automatic replenishment plan. The design of pharmaceutical services supply chain includes drug procurement platform, warehouse management system and connect to the hospital system through data exchange. Through the statistical analysis of drug inventory, we put forward the countermeasures of drug logistics optimization. The results showed that drug replenishment plan can effectively improve drugs inventory efficiency.

H(+)/solute-induced intracellular acidification leads to selective activation of apical Na(+)/H(+) exchange in human intestinal epithelial cells.

PubMed

Thwaites, D T; Ford, D; Glanville, M; Simmons, N L

1999-09-01

The intestinal absorption of many nutrients and drug molecules is mediated by ion-driven transport mechanisms in the intestinal enterocyte plasma membrane. Clearly, the establishment and maintenance of the driving forces - transepithelial ion gradients - are vital for maximum nutrient absorption. The purpose of this study was to determine the nature of intracellular pH (pH(i)) regulation in response to H(+)-coupled transport at the apical membrane of human intestinal epithelial Caco-2 cells. Using isoform-specific primers, mRNA transcripts of the Na(+)/H(+) exchangers NHE1, NHE2, and NHE3 were detected by RT-PCR, and identities were confirmed by sequencing. The functional profile of Na(+)/H(+) exchange was determined by a combination of pH(i), (22)Na(+) influx, and EIPA inhibition experiments. Functional NHE1 and NHE3 activities were identified at the basolateral and apical membranes, respectively. H(+)/solute-induced acidification (using glycylsarcosine or beta-alanine) led to Na(+)-dependent, EIPA-inhibitable pH(i) recovery or EIPA-inhibitable (22)Na(+) influx at the apical membrane only. Selective activation of apical (but not basolateral) Na(+)/H(+) exchange by H(+)/solute cotransport demonstrates that coordinated activity of H(+)/solute symport with apical Na(+)/H(+) exchange optimizes the efficient absorption of nutrients and Na(+), while maintaining pH(i) and the ion gradients involved in driving transport.

Pharmaceutical Applications of Ion-Exchange Resins

NASA Astrophysics Data System (ADS)

Elder, David P.

2005-04-01

The historical uses of ion-exchange resins and a summary of the basic chemical principles involved in the ion-exchange process are discussed. Specific applications of ion-exchange resins are provided. The utility of these agents to stabilize drugs are evaluated. Commonly occurring chemical and physical incompatibilities are reviewed. Ion-exchange resins have found applicability as inactive pharmaceutical constituents, particularly as disintegrants (inactive tablet ingredient whose function is to rapidly disrupt the tablet matrix on contact with gastric fluid). One of the more elegant approaches to improving palatability of ionizable drugs is the use of ion-exchange resins as taste-masking agents. The selection, optimization of drug:resin ratio and particle size, together with a review of scaleup of typical manufacturing processes for taste-masked products are provided. Ion-exchange resins have been extensively utilized in oral sustained-release products. The selection, optimization of drug:resin ratio and particle size, together with a summary of commonly occurring commercial sustained-release products are discussed. Ion-exchange resins have also been used in topical products for local application to the skin, including those where drug flux is controlled by a differential electrical current (ionotophoretic delivery). General applicability of ion-exchange resins, including ophthalmic delivery, nasal delivery, use as drugs in their own right (e.g., colestyramine, formerly referred to as cholestyramine), as well as measuring gastrointestinal transit times, are discussed. Finally, pharmaceutical monographs for ion-exchange resins are reviewed.

Enhancing the gate fidelity of silicon-based singlet-triplet qubits under symmetric exchange control using optimized pulse sequences

NASA Astrophysics Data System (ADS)

Zhang, Chengxian; Throckmorton, Robert; Yang, Xu-Chen; Wang, Xin; Barnes, Edwin

We perform Randomized Benchmarking of a family of recently introduced control scheme for singlet-triplet qubits in semiconductor double quantum dots, which is optimized to have substantially shorter gate times. We study their performances under the recently introduced symmetric control scheme of changing the exchange interaction by raising and lowering the barrier between the two dots (barrier control) and compare these results to those under the traditional tilt control method in which the exchange interaction is varied by detuning. It has been suggested that the barrier control method encounters a much smaller charge noise. We found that for the cases where the charge noise is dominant, corresponding to the device made on isotopically enriched silicon, the optimized sequences offer much longer coherence time under barrier control compared to the tilt control method of the strength of the exchange interaction. This work was supported by the Research Grants Council of Hong Kong SAR (No. CityU 21300116) and the National Natural Science Foundation of China (No. 11604277), and by LPS-MPO-CMTC.

Optimization of a hybrid exchange-correlation functional for silicon carbides

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

Oda, Takuji; Zhang, Yanwen; Weber, William J

2013-01-01

A hybrid exchange-correlation functional is optimized in order to accurately describe the nature of silicon carbides (SiC) in the framework of ab-initio calculations based on density functional theory (DFT), especially with an aim toward future applications in defect studies. It is shown that the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional with the screening parameter of 0.15 -1 outperforms conventional exchange-correlation functionals and other popular hybrid functionals regarding description of band structures in SiC. High transferability is proven through assessment over various SiC polytypes, silicon and diamond. Excellent performance is also confirmed for other fundamental material properties including elastic constants and phonon frequency.

Exchange-correlation energies of atoms from efficient density functionals: influence of the electron density

NASA Astrophysics Data System (ADS)

Tao, Jianmin; Ye, Lin-Hui; Duan, Yuhua

2017-12-01

The primary goal of Kohn-Sham density functional theory is to evaluate the exchange-correlation contribution to electronic properties. However, the accuracy of a density functional can be affected by the electron density. Here we apply the nonempirical Tao-Mo (TM) semilocal functional to study the influence of the electron density on the exchange and correlation energies of atoms and ions, and compare the results with the commonly used nonempirical semilocal functionals local spin-density approximation (LSDA), Perdew-Burke-Ernzerhof (PBE), Tao-Perdew-Staroverov-Scuseria (TPSS), and hybrid functional PBE0. We find that the spin-restricted Hartree-Fock density yields the exchange and correlation energies in good agreement with the Optimized Effective Potential method, particularly for spherical atoms and ions. However, the errors of these semilocal and hybrid functionals become larger for self-consistent densities. We further find that the quality of the electron density have greater effect on the exchange-correlation energies of kinetic energy density-dependent meta-GGA functionals TPSS and TM than on those of the LSDA and GGA, and therefore, should have greater influence on the performance of meta-GGA functionals. Finally, we show that the influence of the density quality on PBE0 is slightly reduced, compared to that of PBE, due to the exact mixing.

Effect of multi-stream heat exchanger on performance of natural gas liquefaction with mixed refrigerant

NASA Astrophysics Data System (ADS)

Chang, Ho-Myung; Lim, Hye Su; Choe, Kun Hyung

2012-12-01

A thermodynamic study is carried out to investigate the effect of multi-stream heat exchanger on the performance of natural gas (NG) liquefaction with mixed refrigerant (MR). A cold stream (low-pressure MR) is in thermal contact with opposite flow of two hot streams (high-pressure MR and NG feed) at the same time. In typical process simulation with commercial software (such as Aspen HYSYS®), the liquefaction performance is estimated with a method of minimum temperature approach, simply assuming that two hot streams have the same temperature. In this study, local energy balance equations are rigorously solved with temperature-dependent properties of MR and NG feed, and are linked to the thermodynamic cycle analysis. The figure of merit (FOM) is quantitatively examined in terms of UA (the product of overall heat transfer coefficient and heat exchange area) between respective streams. In a single-stage MR process, it is concluded that the temperature profile from HYSYS is difficult to realize in practice, and the FOM value from HYSYS is an over-estimate, but can be closely achieved with a proper heat-exchanger design. It is also demonstrated that there exists a unique optimal ratio in three UA's, and no direct heat exchanger between hot streams is recommended.

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

Almasbahi, M.S.

In a world of generalized floating exchange rates, it is not enough to solve the problem of exchange rate policy by determining whether to peg or float the currency under consideration. It is also necessary to choose to what major currency to peg. The main purpose of this study is to investigate and determine empirically the optimum currency peg for the Saudi riyal. To accomplish this goal, a simple conventional trade model, that includes variables found in many other studies of import and export demand, was used. In addition, an exchange rate term was added as a separate independent variablemore » in the import and export demand equations in order to assess the effect of exchange rate on the trade flows. The criteria for the optimal currency peg in this study were based on two factors. First, the error statistics for projected imports and exports using alternative exchange rate regimes. Second, variances of projected imports, exports and trade balance using alternative exchange rate regimes. The exchange rate has a significant impact on the Saudia Arabian trade flows which implies that changes in the riyals value affect the Saudi trade deficit. Moreover, the exchange rate has a more powerful effect on its aggregate imports than on the world demand for its exports. There is also a strong support for the hypothesis that the exchange rate affects the value of the Saudi bilateral trade with its five major trade partners. On the aggregate level, the SDR peg seems to be the best currency peg for the Saudi riyal since it provides the best prediction errors and the lowest variance for the trade balance. Finally, on the disaggregate level, the US dollar provides the best performance and yields the best results among all the six currency pegs considered in this study.« less

In situ magnetic compensation for potassium spin-exchange relaxation-free magnetometer considering probe beam pumping effect

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

Fang, Jiancheng; Wang, Tao, E-mail: wangtaowt@aspe.buaa.edu.cn; Quan, Wei

2014-06-15

A novel method to compensate the residual magnetic field for an atomic magnetometer consisting of two perpendicular beams of polarizations was demonstrated in this paper. The method can realize magnetic compensation in the case where the pumping rate of the probe beam cannot be ignored. In the experiment, the probe beam is always linearly polarized, whereas, the probe beam contains a residual circular component due to the imperfection of the polarizer, which leads to the pumping effect of the probe beam. A simulation of the probe beam's optical rotation and pumping rate was demonstrated. At the optimized points, the wavelengthmore » of the probe beam was optimized to achieve the largest optical rotation. Although, there is a small circular component in the linearly polarized probe beam, the pumping rate of the probe beam was non-negligible at the optimized wavelength which if ignored would lead to inaccuracies in the magnetic field compensation. Therefore, the dynamic equation of spin evolution was solved by considering the pumping effect of the probe beam. Based on the quasi-static solution, a novel magnetic compensation method was proposed, which contains two main steps: (1) the non-pumping compensation and (2) the sequence compensation with a very specific sequence. After these two main steps, a three-axis in situ magnetic compensation was achieved. The compensation method was suitable to design closed-loop spin-exchange relaxation-free magnetometer. By a combination of the magnetic compensation and the optimization, the magnetic field sensitivity was approximately 4 fT/Hz{sup 1/2}, which was mainly dominated by the noise of the magnetic shield.« less

Choices of capture chromatography technology in antibody manufacturing processes.

PubMed

DiLeo, Michael; Ley, Arthur; Nixon, Andrew E; Chen, Jie

2017-11-15

The capture process employed in monoclonal antibody downstream purification is not only the most critically impacted process by increased antibody titer resulting from optimized mammalian cell culture expression systems, but also the most important purification step in determining overall process throughput, product quality, and economics. Advances in separation technology for capturing antibodies from complex feedstocks have been one focus of downstream purification process innovation for past 10 years. In this study, we evaluated new generation chromatography resins used in the antibody capture process including Protein A, cation exchange, and mixed mode chromatography to address the benefits and unique challenges posed by each chromatography approach. Our results demonstrate the benefit of improved binding capacity of new generation Protein A resins, address the concern of high concentration surge caused aggregation when using new generation cation exchange resins with over 100mg/mL binding capacity, and highlight the potential of multimodal cation exchange resins for capture process design. The new landscape of capture chromatography technologies provides options to achieve overall downstream purification outcome with high product quality and process efficiency. Copyright © 2017 Elsevier B.V. All rights reserved.

Long-Term Percutaneous Nephrostomy Management of Malignant Urinary Obstruction: Estimation of Optimal Exchange Frequency and Estimation of the Financial Impact of Patient Compliance.

PubMed

McDevitt, Joseph L; Acosta-Torres, Stefany; Zhang, Ning; Hu, Tianshen; Odu, Ayobami; Wang, Jijia; Xi, Yin; Lamus, Daniel; Miller, David S; Pillai, Anil K

2017-07-01

To estimate the least costly routine exchange frequency for percutaneous nephrostomies (PCNs) placed for malignant urinary obstruction, as measured by annual hospital charges, and to estimate the financial impact of patient compliance. Patients with PCNs placed for malignant urinary obstruction were studied from 2011 to 2013. Exchanges were classified as routine or due to 1 of 3 complication types: mechanical (tube dislodgment), obstruction, or infection. Representative cases were identified, and median representative charges were used as inputs for the model. Accelerated failure time and Markov chain Monte Carlo models were used to estimate distribution of exchange types and annual hospital charges under different routine exchange frequency and compliance scenarios. Long-term PCN management was required in 57 patients, with 87 total exchange encounters. Median representative hospital charges for pyelonephritis and obstruction were 11.8 and 9.3 times greater, respectively, than a routine exchange. The projected proportion of routine exchanges increased and the projected proportion of infection-related exchanges decreased when moving from a 90-day exchange with 50% compliance to a 60-day exchange with 75% compliance, and this was associated with a projected reduction in annual charges. Projected cost reductions resulting from increased compliance were generally greater than reductions resulting from changes in exchange frequency. This simulation model suggests that the optimal routine exchange interval for PCN exchange in patients with malignant urinary obstruction is approximately 60 days and that the degree of reduction in charges likely depends more on patient compliance than exact exchange interval. Copyright © 2017 SIR. Published by Elsevier Inc. All rights reserved.

Thickness dependent exchange bias in martensitic epitaxial Ni-Mn-Sn thin films

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

Behler, Anna; Department of Physics, Institute for Solid State Physics, Dresden University of Technology, 01062 Dresden; Teichert, Niclas

2013-12-15

A thickness dependent exchange bias in the low temperature martensitic state of epitaxial Ni-Mn-Sn thin films is found. The effect can be retained down to very small thicknesses. For a Ni{sub 50}Mn{sub 32}Sn{sub 18} thin film, which does not undergo a martensitic transformation, no exchange bias is observed. Our results suggest that a significant interplay between ferromagnetic and antiferromagnetic regions, which is the origin for exchange bias, is only present in the martensite. The finding is supported by ab initio calculations showing that the antiferromagnetic order is stabilized in the phase.

Multi-stage flash degaser

DOEpatents

Rapier, P.M.

1980-06-26

A multi-stage flash degaser is incorporated in an energy conversion system having a direct-contact, binary-fluid heat exchanger to remove essentially all of the noncondensable gases from geothermal brine ahead of the direct-contact binary-fluid heat exchanger in order that the heat exchanger and a turbine and condenser of the system can operate at optimal efficiency.

Models of information exchange between radio interfaces of Wi-Fi group of standards

NASA Astrophysics Data System (ADS)

Litvinskaya, O. S.

2018-05-01

This paper offers models of information exchange between radio interfaces of the Wi-Fi group of standards by the example of a real facility management system for the oil and gas industry. Interaction between the MU-MIMO and MIMO technologies is analyzed. An optimal variant of information exchange is proposed.

Decentralized Optimal Dispatch of Photovoltaic Inverters in Residential Distribution Systems

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

Dall'Anese, Emiliano; Dhople, Sairaj V.; Johnson, Brian B.

Summary form only given. Decentralized methods for computing optimal real and reactive power setpoints for residential photovoltaic (PV) inverters are developed in this paper. It is known that conventional PV inverter controllers, which are designed to extract maximum power at unity power factor, cannot address secondary performance objectives such as voltage regulation and network loss minimization. Optimal power flow techniques can be utilized to select which inverters will provide ancillary services, and to compute their optimal real and reactive power setpoints according to well-defined performance criteria and economic objectives. Leveraging advances in sparsity-promoting regularization techniques and semidefinite relaxation, this papermore » shows how such problems can be solved with reduced computational burden and optimality guarantees. To enable large-scale implementation, a novel algorithmic framework is introduced - based on the so-called alternating direction method of multipliers - by which optimal power flow-type problems in this setting can be systematically decomposed into sub-problems that can be solved in a decentralized fashion by the utility and customer-owned PV systems with limited exchanges of information. Since the computational burden is shared among multiple devices and the requirement of all-to-all communication can be circumvented, the proposed optimization approach scales favorably to large distribution networks.« less

Feasible conversion of solid waste bauxite tailings into highly crystalline 4A zeolite with valuable application

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

Ma, Dongyang; Wang, Zhendong; Guo, Min

2014-11-15

Highlights: • Concept to convert waste to valuable product is carried out in this study. • An industrially feasible and cost-effective approach was developed and optimized. • Highly crystalline and well-defined zeolite was produced under moderate conditions. • The zeolite derived from the bauxite tailings displayed high ion exchange capacity. • Bauxite tailings have potential application in heavy metal ions adsorbent. - Abstract: Bauxite tailings are a major type of solid wastes generated in the flotation process. The waste by-products caused significant environmental impact. To lessen this hazardous effect from poisonous mine tailings, a feasible and cost-effective solution was conceivedmore » and implemented. Our approach focused on reutilization of the bauxite tailings by converting it to 4A zeolite for reuse in diverse applications. Three steps were involved in the bauxite conversion: wet-chemistry, alkali fusion, and crystallization to remove impurities and to prepare porous 4A zeolite. It was found that the cubic 4A zeolite was single phase, in high purity, with high crystallinity and well-defined structure. Importantly, the 4A zeolite displayed maximum calcium ion exchange capacity averaged at 296 mg CaCO{sub 3}/g, comparable to commercially-available zeolite (310 mg CaCO{sub 3}/g) exchange capacity. Base on the optimal synthesis condition, the reaction yield of zeolite 4A from bauxite tailings achieved to about 38.43%, hence, this study will provide a new paradigm for remediation of bauxite tailings, further mitigating the environmental and health care concerns, particularly in the mainland of PR China.« less

Sequential Nonlinear Learning for Distributed Multiagent Systems via Extreme Learning Machines.

PubMed

Vanli, Nuri Denizcan; Sayin, Muhammed O; Delibalta, Ibrahim; Kozat, Suleyman Serdar

2017-03-01

We study online nonlinear learning over distributed multiagent systems, where each agent employs a single hidden layer feedforward neural network (SLFN) structure to sequentially minimize arbitrary loss functions. In particular, each agent trains its own SLFN using only the data that is revealed to itself. On the other hand, the aim of the multiagent system is to train the SLFN at each agent as well as the optimal centralized batch SLFN that has access to all the data, by exchanging information between neighboring agents. We address this problem by introducing a distributed subgradient-based extreme learning machine algorithm. The proposed algorithm provides guaranteed upper bounds on the performance of the SLFN at each agent and shows that each of these individual SLFNs asymptotically achieves the performance of the optimal centralized batch SLFN. Our performance guarantees explicitly distinguish the effects of data- and network-dependent parameters on the convergence rate of the proposed algorithm. The experimental results illustrate that the proposed algorithm achieves the oracle performance significantly faster than the state-of-the-art methods in the machine learning and signal processing literature. Hence, the proposed method is highly appealing for the applications involving big data.

Dynamic Business Networks: A Headache for Sustainable Systems Interoperability

NASA Astrophysics Data System (ADS)

Agostinho, Carlos; Jardim-Goncalves, Ricardo

Collaborative networked environments emerged with the spread of the internet, contributing to overcome past communication barriers, and identifying interoperability as an essential property. When achieved seamlessly, efficiency is increased in the entire product life cycle. Nowadays, most organizations try to attain interoperability by establishing peer-to-peer mappings with the different partners, or in optimized networks, by using international standard models as the core for information exchange. In current industrial practice, mappings are only defined once, and the morphisms that represent them, are hardcoded in the enterprise systems. This solution has been effective for static environments, where enterprise and product models are valid for decades. However, with an increasingly complex and dynamic global market, models change frequently to answer new customer requirements. This paper draws concepts from the complex systems science and proposes a framework for sustainable systems interoperability in dynamic networks, enabling different organizations to evolve at their own rate.

Role of exact exchange in thermally-assisted-occupation density functional theory: A proposal of new hybrid schemes.

PubMed

Chai, Jeng-Da

2017-01-28

We propose hybrid schemes incorporating exact exchange into thermally assisted-occupation-density functional theory (TAO-DFT) [J.-D. Chai, J. Chem. Phys. 136, 154104 (2012)] for an improved description of nonlocal exchange effects. With a few simple modifications, global and range-separated hybrid functionals in Kohn-Sham density functional theory (KS-DFT) can be combined seamlessly with TAO-DFT. In comparison with global hybrid functionals in KS-DFT, the resulting global hybrid functionals in TAO-DFT yield promising performance for systems with strong static correlation effects (e.g., the dissociation of H 2 and N 2 , twisted ethylene, and electronic properties of linear acenes), while maintaining similar performance for systems without strong static correlation effects. Besides, a reasonably accurate description of noncovalent interactions can be efficiently achieved through the inclusion of dispersion corrections in hybrid TAO-DFT. Relative to semilocal density functionals in TAO-DFT, global hybrid functionals in TAO-DFT are generally superior in performance for a wide range of applications, such as thermochemistry, kinetics, reaction energies, and optimized geometries.

Soil Temperature and Moisture Effects on Soil Respiration and Microbial Community Abundance

DTIC Science & Technology

2015-04-13

highest abundance of bacteria and archaea. Across all soils, if the moisture content was optimal but the temperature was around 5°C, the respiration...9 3.3 Abundance of soil bacteria and archaea ..................................................................... 10 4...ARTEMIS Army Terrestrial-Environmental Modeling and Intelligence System ATCC American Type Culture Collection Ca Calcium CEC Cation Exchange Capacity

Liposome-based mucus-penetrating particles (MPP) for mucosal theranostics: demonstration of diamagnetic chemical exchange saturation transfer (diaCEST) magnetic resonance imaging (MRI).

PubMed

Yu, Tao; Chan, Kannie W Y; Anonuevo, Abraham; Song, Xiaolei; Schuster, Benjamin S; Chattopadhyay, Sumon; Xu, Qingguo; Oskolkov, Nikita; Patel, Himatkumar; Ensign, Laura M; van Zjil, Peter C M; McMahon, Michael T; Hanes, Justin

2015-02-01

Mucus barriers lining mucosal epithelia reduce the effectiveness of nanocarrier-based mucosal drug delivery and imaging ("theranostics"). Here, we describe liposome-based mucus-penetrating particles (MPP) capable of loading hydrophilic agents, e.g., the diaCEST MRI contrast agent barbituric acid (BA). We observed that polyethylene glycol (PEG)-coated liposomes containing ≥7 mol% PEG diffused only ~10-fold slower in human cervicovaginal mucus (CVM) compared to their theoretical speeds in water. 7 mol%-PEG liposomes contained sufficient BA loading for diaCEST contrast, and provided improved vaginal distribution compared to 0 and 3mol%-PEG liposomes. However, increasing PEG content to ~12 mol% compromised BA loading and vaginal distribution, suggesting that PEG content must be optimized to maintain drug loading and stability. Non-invasive diaCEST MRI illustrated uniform vaginal coverage and longer retention of BA-loaded 7 mol%-PEG liposomes compared to unencapsulated BA. Liposomal MPP with optimized PEG content hold promise for drug delivery and imaging at mucosal surfaces. This team of authors characterized liposome-based mucus-penetrating particles (MPP) capable of loading hydrophilic agents, such as barbituric acid (a diaCEST MRI contrast agent) and concluded that liposomal MPP with optimized PEG coating enables drug delivery and imaging at mucosal surfaces. Copyright © 2015 Elsevier Inc. All rights reserved.

Rankine cycle waste heat recovery system

DOEpatents

Ernst, Timothy C.; Nelson, Christopher R.

2015-09-22

A waste heat recovery (WHR) system connects a working fluid to fluid passages formed in an engine block and/or a cylinder head of an internal combustion engine, forming an engine heat exchanger. The fluid passages are formed near high temperature areas of the engine, subjecting the working fluid to sufficient heat energy to vaporize the working fluid while the working fluid advantageously cools the engine block and/or cylinder head, improving fuel efficiency. The location of the engine heat exchanger downstream from an EGR boiler and upstream from an exhaust heat exchanger provides an optimal position of the engine heat exchanger with respect to the thermodynamic cycle of the WHR system, giving priority to cooling of EGR gas. The configuration of valves in the WHR system provides the ability to select a plurality of parallel flow paths for optimal operation.

A surface complexation and ion exchange model of Pb and Cd competitive sorption on natural soils

NASA Astrophysics Data System (ADS)

Serrano, Susana; O'Day, Peggy A.; Vlassopoulos, Dimitri; García-González, Maria Teresa; Garrido, Fernando

2009-02-01

The bioavailability and fate of heavy metals in the environment are often controlled by sorption reactions on the reactive surfaces of soil minerals. We have developed a non-electrostatic equilibrium model (NEM) with both surface complexation and ion exchange reactions to describe the sorption of Pb and Cd in single- and binary-metal systems over a range of pH and metal concentration. Mineralogical and exchange properties of three different acidic soils were used to constrain surface reactions in the model and to estimate surface densities for sorption sites, rather than treating them as adjustable parameters. Soil heterogeneity was modeled with >FeOH and >SOH functional groups, representing Fe- and Al-oxyhydroxide minerals and phyllosilicate clay mineral edge sites, and two ion exchange sites (X - and Y -), representing clay mineral exchange. An optimization process was carried out using the entire experimental sorption data set to determine the binding constants for Pb and Cd surface complexation and ion exchange reactions. Modeling results showed that the adsorption of Pb and Cd was distributed between ion exchange sites at low pH values and specific adsorption sites at higher pH values, mainly associated with >FeOH sites. Modeling results confirmed the greater tendency of Cd to be retained on exchange sites compared to Pb, which had a higher affinity than Cd for specific adsorption on >FeOH sites. Lead retention on >FeOH occurred at lower pH than for Cd, suggesting that Pb sorbs to surface hydroxyl groups at pH values at which Cd interacts only with exchange sites. The results from the binary system (both Pb and Cd present) showed that Cd retained in >FeOH sites decreased significantly in the presence of Pb, while the occupancy of Pb in these sites did not change in the presence of Cd. As a consequence of this competition, Cd was shifted to ion exchange sites, where it competes with Pb and possibly Ca (from the background electrolyte). Sorption on >SOH functional groups increased with increasing pH but was small compared to >FeOH sites, with little difference between single- and binary-metal systems. Model reactions and conditional sorption constants for Pb and Cd sorption were tested on a fourth soil that was not used for model optimization. The same reactions and constants were used successfully without adjustment by estimating surface site concentrations from soil mineralogy. The model formulation developed in this study is applicable to acidic mineral soils with low organic matter content. Extension of the model to soils of different composition may require selection of surface reactions that account for differences in clay and oxide mineral composition and organic matter content.

Microbial electron transport and energy conservation – the foundation for optimizing bioelectrochemical systems

PubMed Central

Kracke, Frauke; Vassilev, Igor; Krömer, Jens O.

2015-01-01

Microbial electrochemical techniques describe a variety of emerging technologies that use electrode–bacteria interactions for biotechnology applications including the production of electricity, waste and wastewater treatment, bioremediation and the production of valuable products. Central in each application is the ability of the microbial catalyst to interact with external electron acceptors and/or donors and its metabolic properties that enable the combination of electron transport and carbon metabolism. And here also lies the key challenge. A wide range of microbes has been discovered to be able to exchange electrons with solid surfaces or mediators but only a few have been studied in depth. Especially electron transfer mechanisms from cathodes towards the microbial organism are poorly understood but are essential for many applications such as microbial electrosynthesis. We analyze the different electron transport chains that nature offers for organisms such as metal respiring bacteria and acetogens, but also standard biotechnological organisms currently used in bio-production. Special focus lies on the essential connection of redox and energy metabolism, which is often ignored when studying bioelectrochemical systems. The possibility of extracellular electron exchange at different points in each organism is discussed regarding required redox potentials and effect on cellular redox and energy levels. Key compounds such as electron carriers (e.g., cytochromes, ferredoxin, quinones, flavins) are identified and analyzed regarding their possible role in electrode–microbe interactions. This work summarizes our current knowledge on electron transport processes and uses a theoretical approach to predict the impact of different modes of transfer on the energy metabolism. As such it adds an important piece of fundamental understanding of microbial electron transport possibilities to the research community and will help to optimize and advance bioelectrochemical techniques. PMID:26124754

Effect of Pore Clogging on Kinetics of Lead Uptake by Clinoptilolite.

PubMed

Inglezakis; Diamandis; Loizidou; Grigoropoulou

1999-07-01

The kinetics of lead-sodium ion exchange using pretreated natural clinoptilolite are investigated, more specifically the influence of agitation (0, 210, and 650 rpm) on the limiting step of the overall process, for particle sizes of 0.63-0.8 and 0.8-1 mm at ambient temperature and initial lead solutions of 500 mg l-1 without pH adjustment. The isotopic exchange model is found to fit the ion exchange process. Particle diffusion is shown to be the controlling step for both particle sizes under agitation, while in the absence of agitation film diffusion is shown to control. The ion exchange process effective diffusion coefficients are calculated and found to depend strongly on particle size in the case of agitation at 210 rpm and only slightly on particle size at 650 rpm. Lead uptake rates are higher for smaller particles only at rigorous agitation, while at mild agitation the results are reversed. These facts are due to partial clogging of the pores of the mineral during the grinding process. This is verified through comparison of lead uptake rates for two samples of the same particle size, one of which is rigorously washed for a certain time before being exposed to the ion exchange. Copyright 1999 Academic Press.

In situ investigation on ultrafast oxygen evolution reactions of water splitting in proton exchange membrane electrolyzer cells

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

Mo, Jingke; Kang, Zhenye; Yang, Gaoqiang

We present that the oxygen evolution reaction (OER) is a half reaction in electrochemical devices, including low-temperature water electrolysis, which is considered as one of the most promising methods to generate hydrogen/oxygen for the storage of energy. It is affected by many factors, and its mechanism is still not completely understood. A proton exchange membrane electrolyzer cell (PEMEC) with optical access to the surface of anode catalyst layer (CL) coupled with a distinguished high-speed and micro-scale visualization system (HMVS) was developed to in situ investigate OERs. It was revealed in real time that OERs only occur on the anode CLmore » adjacent to liquid/gas diffusion layer (LGDL). The CL electrical conductivity plays a crucial role in OERs on CLs. The large in-plane electrical resistance of CLs becomes a threshold of OERs over the entire CL, and causes a lot of catalyst waste in the middle of LGDL pores. Moreover, the oxygen bubble nucleation, growth, and detachment and the effect of current density on those processes were also characterized. Here, this study proposes a new approach for better understanding the mechanisms of OERs and optimizing the design and fabrication of membrane electrode assemblies.« less

In situ investigation on ultrafast oxygen evolution reactions of water splitting in proton exchange membrane electrolyzer cells

DOE PAGES

Mo, Jingke; Kang, Zhenye; Yang, Gaoqiang; ...

2017-08-25

We present that the oxygen evolution reaction (OER) is a half reaction in electrochemical devices, including low-temperature water electrolysis, which is considered as one of the most promising methods to generate hydrogen/oxygen for the storage of energy. It is affected by many factors, and its mechanism is still not completely understood. A proton exchange membrane electrolyzer cell (PEMEC) with optical access to the surface of anode catalyst layer (CL) coupled with a distinguished high-speed and micro-scale visualization system (HMVS) was developed to in situ investigate OERs. It was revealed in real time that OERs only occur on the anode CLmore » adjacent to liquid/gas diffusion layer (LGDL). The CL electrical conductivity plays a crucial role in OERs on CLs. The large in-plane electrical resistance of CLs becomes a threshold of OERs over the entire CL, and causes a lot of catalyst waste in the middle of LGDL pores. Moreover, the oxygen bubble nucleation, growth, and detachment and the effect of current density on those processes were also characterized. Here, this study proposes a new approach for better understanding the mechanisms of OERs and optimizing the design and fabrication of membrane electrode assemblies.« less

Insulation effect on thermal stability of Coated Conductors wires in liquid nitrogen

NASA Astrophysics Data System (ADS)

Rubeli, Thomas; Dutoit, Bertrand; Martynova, Irina; Makarevich, Artem; Molodyk, Alexander; Samoilenkov, Sergey

2017-02-01

Superconducting wires are not perfectly homogeneous in term of critical current as well as stabilization. In resistive fault current limiter applications this could lead to hot spots if the fault current is only slightly above the nominal current of the device. Increasing stabilization by using thicker silver coating for example may prevent this problem but this method implies longer wire length to maintain the same impedance during a fault. Very efficient cooling in another way to prevent hot spots, this can be achieved in nucleate boiling regime. Optimal insulation can be used to prevent film boiling regime, staying in nucleate boiling regime in a much broader temperature range. In this work a novel technique is used to monitor in real time the temperature of the wire during the quench. Using this method several increasing insulation thicknesses are tested, measuring for each the heat exchange rate to the nitrogen bath. Exchange rate measurements are made in quasistatic regime and during the re-cooling of the wire. SuperOx wires provided with different insulation thicknesses exhibit an excellent stability, far above a bare wire. On the other side, for very thick insulations the stability gain is lost. Re-cooling speeds dependency on insulation thicknesses is measured too.

[Comparison of the effects of exchange forms on social solidarity].

PubMed

Inaba, Misato; Takahashi, Nobuyuki

2012-04-01

Although social solidarity is an essential component that helps maintaining social order, what produces solidarity and how does it work have not been fully investigated. We conducted an experiment to examine whether experiencing different forms of social exchange produces different levels of solidarity. We compared four forms of social exchange: reciprocal exchange (exchange resources without negotiation), negotiated exchange (with negotiation), pure-generalized exchange (giver can choose who to give) and chain-generalized exchange (giver cannot choose who to give). Two dimensions classify these exchanges: the number of players (two vs. more than two), and involvement of negotiation. Reciprocal and negotiated exchanges occur within dyads, while pure- and chain-generalized exchanges involve three or more players. Only the negotiated exchange involves negotiation process; the other exchanges are purely unilateral giving. Participants played a one-shot social dilemma game (SDG) before and after social exchange session. The more the players cooperated in SDG, the stronger the social solidarity. Results show that the cooperation rate in SDG increased more in the reciprocal, pure- and chain-generalized exchange conditions than that in the negotiated exchange condition, suggesting that social solidarity is facilitated by experiencing social exchange which does not involve negotiation.

Thermal optimality of net ecosystem exchange of carbon dioxide and underlying mechanisms

USDA-ARS?s Scientific Manuscript database

It has been well established that individual organisms can acclimate and adapt to temperature change to optimize their performance (i.e., achieve thermal optimality). However, whether ecosystems with an assembly of organisms would also undergo thermal optimization has not been examined on a broader ...

Finding long chains in kidney exchange using the traveling salesman problem.

PubMed

Anderson, Ross; Ashlagi, Itai; Gamarnik, David; Roth, Alvin E

2015-01-20

As of May 2014 there were more than 100,000 patients on the waiting list for a kidney transplant from a deceased donor. Although the preferred treatment is a kidney transplant, every year there are fewer donors than new patients, so the wait for a transplant continues to grow. To address this shortage, kidney paired donation (KPD) programs allow patients with living but biologically incompatible donors to exchange donors through cycles or chains initiated by altruistic (nondirected) donors, thereby increasing the supply of kidneys in the system. In many KPD programs a centralized algorithm determines which exchanges will take place to maximize the total number of transplants performed. This optimization problem has proven challenging both in theory, because it is NP-hard, and in practice, because the algorithms previously used were unable to optimally search over all long chains. We give two new algorithms that use integer programming to optimally solve this problem, one of which is inspired by the techniques used to solve the traveling salesman problem. These algorithms provide the tools needed to find optimal solutions in practice.

Finding long chains in kidney exchange using the traveling salesman problem

PubMed Central

Anderson, Ross; Ashlagi, Itai; Gamarnik, David; Roth, Alvin E.

2015-01-01

As of May 2014 there were more than 100,000 patients on the waiting list for a kidney transplant from a deceased donor. Although the preferred treatment is a kidney transplant, every year there are fewer donors than new patients, so the wait for a transplant continues to grow. To address this shortage, kidney paired donation (KPD) programs allow patients with living but biologically incompatible donors to exchange donors through cycles or chains initiated by altruistic (nondirected) donors, thereby increasing the supply of kidneys in the system. In many KPD programs a centralized algorithm determines which exchanges will take place to maximize the total number of transplants performed. This optimization problem has proven challenging both in theory, because it is NP-hard, and in practice, because the algorithms previously used were unable to optimally search over all long chains. We give two new algorithms that use integer programming to optimally solve this problem, one of which is inspired by the techniques used to solve the traveling salesman problem. These algorithms provide the tools needed to find optimal solutions in practice. PMID:25561535

Seasonal carbon dioxide exchange between the regolith and atmosphere of Mars - Experimental and theoretical studies

NASA Technical Reports Server (NTRS)

Fanale, F. P.; Salvail, J. R.; Banerdt, W. B.; Saunders, R. S.; Johansen, L. A.

1982-01-01

CO2 penetration rate measurements have been made through basalt-clay soils under conditions simulating the penetration of the cap-induced seasonal CO2 pressure wave through the topmost regolith of Mars, and results suggest that existing theoretical models for the diffusion of a gas through a porous and highly adsorbing medium may be used to assess the importance of the Martian seasonal regolith-atmosphere CO2 exchange. The maximum effect of thermally driven exchange between the topmost seasonally (thermally) affected regolith and the atmosphere shows that, while this may be of greater importance than the isothermal exchange, the thermally driven exchange would be recognizable only if the pressure wave from CO2 exchanged at high latitudes did not propagate atmospherically faster than the rate at which the exchange itself occurred. This is an unreasonable assumption.

Optimization for blast furnace slag dry cooling granulation device

NASA Astrophysics Data System (ADS)

Dazhan, Sheng; Yali, Wang; Ruiyun, Wang; Suping, Cui; Xiaoyu, Ma

2017-03-01

Since the large accumulation amount of blast furnace slag (BFS) with recycling value, it has become a hot topic for recovery utilization. Compared with the existing various BFS granulation process, the dry granulation process can promote the use of blast furnace granulated slag as cement substitute and concrete admixtures. Our research group developed a novel dry cooling granulation experiment device to treat BFS. However, there are still some problems to be solved. The purpose of this research is to improve the cooling and granulation efficiency of the existing dry type cooling equipment. This topic uses the FLUENT simulation software to study the impact of the number of air inlet on the cooling effect of the device. The simulation result is that the device possessing eight air inlets can increase the number of hot and cold gas exchanged, resulting in a better cooling effect. According to the power consumption, LCA analysis was carried out on the cooling granulation process. The results show that the device equipped eight air inlets not only improved the original equipment cooling granulation effect, but also increased resource utilization ratio, realized energy-saving and emission reduction.

Oil shocks in New Keynesian models: Positive and normative implications

NASA Astrophysics Data System (ADS)

Chang, Jian

Chapter 1 investigates optimal monetary policy response towards oil shocks in a New Keynesian model. We find that optimal policy, in general, becomes contractionary in response to an adverse oil shock. However, the optimal policy rule and the inflation-output trade-off depend on the specific structure of the model. The benchmark economy consists of a flexible-price energy sector and a sticky-price manufacturing sector where energy is used as an intermediate input. We show that optimal policy is to stabilize the sticky (core) price level. We then show that after incorporating a less oil-dependent sticky-price service sector, the model exhibits a trade-off in stabilizing prices and output gaps in the different sticky-price sectors. It predicts that central bank should not try to stabilize the core price level, and the economy will experience higher inflation and rising output gaps, even if central banks respond optimally. Chapter 2 addresses the observed volatility and persistence of real exchange rates and the terms of trade. It contributes to the literature with a quantitative study on the U.S. and Canada. A two-country New Keynesian model consisting of traded, non-traded, and oil production sectors is proposed to examine the time series properties of the real exchange rate, the terms of trade and the real oil price. We find that after incorporating several realistic features (namely oil price shocks, sector specific labor, non-traded goods, asymmetric pricing decisions of exporters and asymmetric consumer preferences over tradables), the benchmark model broadly matches the volatilities of the relative prices and some business cycle correlations. The model matches the data more closely after adding real demand shocks, suggesting their importance in explaining the relative price movements between the US and Canada. Chapter 3 explores several sources and transmission channels of international relative price movements. In particular, we elaborate on the role of imperfect labor mobility, pricing decisions of exporting firms, oil price shocks and asymmetric consumer preferences over tradables. Our results suggest that: Incorporating both producer currency pricing and local currency pricing assumptions produces more reasonable relative price movements. A model with imperfect labor mobility generates larger relative price volatility. Oil price shocks only contribute to terms of trade variability when oil is modeled as part of the traded basket. And asymmetric consumer preferences contribute to the volatility of the real exchange rate.

Diagnostics and Optimization of a Miniature High Frequency Pulse Tube Cryocooler

NASA Astrophysics Data System (ADS)

Garaway, I.; Veprik, A.; Radebaugh, R.

2010-04-01

A miniature, high energy density, pulse tube cryocooler with an inertance tube and reservoir has been developed, tested, diagnosed and optimized to provide appropriate cooling for size-limited cryogenic applications demanding fast cool down. This cryocooler, originally designed using REGEN 3.2 for 80 K, an operating frequency of 150 Hz and an average pressure of 5.0 MPa, has regenerator dimensions of 4.4 mm inside diameter and 27 mm length and is filled with ♯635 mesh stainless steel screen. Various design features, such as the use of compact heat exchangers and a miniature linear compressor, resulted in a remarkably compact pulse tube cryocooler. In this report, we present the preliminary test results and the subsequent diagnostic and optimization sequence performed to improve the overall design and operation of the complete cryocooler. These experimentally determined optimal parameters, though slightly different from those proposed in the initial numerical model, yielded 530 mW of gross cooling power at 120 K with an input electrical power of only 25 W. This study highlights the need to further establish our understanding of miniature, high frequency, regenerative cryocoolers, not only as a collection of independent subcomponents, but as one single working unit. It has also led to a list of additional improvements that may yet be made to even further improve the operating characteristics of such a complete miniature cryocooler.

76 FR 71395 - Self-Regulatory Organizations; NASDAQ OMX PHLX LLC; Notice of Filing and Immediate Effectiveness...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-11-17

... Exchange proposes to amend its Customer and Professional Routing Fees governing pricing for Exchange members using the Phlx XL II system,\\3\\ for routing standardized equity and index option Customer and...) (SR-Phlx-2009-32). The instant proposed fees will apply only to option orders entered into, and routed...

75 FR 55838 - Self-Regulatory Organizations; BATS Exchange, Inc.; Notice of Filing and Immediate Effectiveness...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-09-14

...'s Web site at http://www.batstrading.com , at the principal office of the Exchange, and at the...-brand one of its routing strategies, currently referred to as ``DART,'' as the ``Dark Routing Technique... only one method. The Commission will post all comments on the Commission's Internet Web site ( http...

Promoted Iron Nanocrystals Obtained via Ligand Exchange as Active and Selective Catalysts for Synthesis Gas Conversion

PubMed Central

2017-01-01

Colloidal synthesis routes have been recently used to fabricate heterogeneous catalysts with more controllable and homogeneous properties. Herein a method was developed to modify the surface composition of colloidal nanocrystal catalysts and to purposely introduce specific atoms via ligands and change the catalyst reactivity. Organic ligands adsorbed on the surface of iron oxide catalysts were exchanged with inorganic species such as Na2S, not only to provide an active surface but also to introduce controlled amounts of Na and S acting as promoters for the catalytic process. The catalyst composition was optimized for the Fischer–Tropsch direct conversion of synthesis gas into lower olefins. At industrially relevant conditions, these nanocrystal-based catalysts with controlled composition were more active, selective, and stable than catalysts with similar composition but synthesized using conventional methods, possibly due to their homogeneity of properties and synergic interaction of iron and promoters. PMID:28824820

Kinetic Monte Carlo simulations of the effect of the exchange control layer thickness in CoPtCrB/CoPtCrSiO granular media

NASA Astrophysics Data System (ADS)

Almudallal, Ahmad M.; Mercer, J. I.; Whitehead, J. P.; Plumer, M. L.; van Ek, J.

2018-05-01

A hybrid Landau Lifshitz Gilbert/kinetic Monte Carlo algorithm is used to simulate experimental magnetic hysteresis loops for dual layer exchange coupled composite media. The calculation of the rate coefficients and difficulties arising from low energy barriers, a fundamental problem of the kinetic Monte Carlo method, are discussed and the methodology used to treat them in the present work is described. The results from simulations are compared with experimental vibrating sample magnetometer measurements on dual layer CoPtCrB/CoPtCrSiO media and a quantitative relationship between the thickness of the exchange control layer separating the layers and the effective exchange constant between the layers is obtained. Estimates of the energy barriers separating magnetically reversed states of the individual grains in zero applied field as well as the saturation field at sweep rates relevant to the bit write speeds in magnetic recording are also presented. The significance of this comparison between simulations and experiment and the estimates of the material parameters obtained from it are discussed in relation to optimizing the performance of magnetic storage media.

Monitoring Exchange of CO2 - A KISS Workshop Report 2009

NASA Technical Reports Server (NTRS)

Miller, Charles; Wennberg, Paul

2009-01-01

The problem and context: Can top-down estimates of carbon dioxide (CO2) fluxes resolve the anthropogenic emissions of China, India, the United States, and the European Union with an accuracy of +/-10% or better?The workshop "Monitoring Exchange of Carbon Dioxide" was convened at the Keck Institute for Space Studies in Pasadena, California in February 2010 to address this question. The Workshop brought together an international, interdisciplinary group of 24 experts in carbon cycle science, remote sensing, emissions inventory estimation, and inverse modeling. The participants reviewed the potential of space-based and sub-orbital observational and modeling approaches to monitor anthropogenic CO2 emissions in the presence of much larger natural fluxes from the exchange of CO2 between the land, atmosphere, and ocean. This particular challenge was motivated in part by the NRC Report "Verifying Greenhouse Gas Emissions" [Pacala et al., 2010]. This workshop report includes several recommendations for improvements to observing strategies and modeling frameworks for optimal and cost-effective monitoring of carbon exchange

Liquid crystalline epoxy networks with exchangeable disulfide bonds

DOE PAGES

Li, Yuzhan; Zhang, Yuehong; Rios, Orlando; ...

2017-06-09

In this study, a liquid crystalline epoxy network (LCEN) with exchangeable disulfide bonds is synthesized by polymerizing a biphenyl-based epoxy monomer with an aliphatic dicarboxylic acid curing agent containing a disulfide bond. The effect of disulfide bonds on curing behavior and liquid crystalline (LC) phase formation of the LCEN is investigated. The presence of the disulfide bonds results in an increase in the reaction rate, leading to a reduction in liquid crystallinity of the LCEN. In order to promote LC phase formation and stabilize the self-assembled LC domains, a similar aliphatic dicarboxylic acid without the disulfide bond is used asmore » a co-curing agent to reduce the amount of exchangeable disulfide bonds in the system. After optimizing the molar ratio of the two curing agents, the resulting LCEN exhibits improved reprocessability and recyclability because of the disulfide exchange reactions, while preserving LC properties, such as the reversible LC phase transition and macroscopic LC orientation, for shape memory applications.« less

Derivative discontinuity and exchange-correlation potential of meta-GGAs in density-functional theory.

PubMed

Eich, F G; Hellgren, Maria

2014-12-14

We investigate fundamental properties of meta-generalized-gradient approximations (meta-GGAs) to the exchange-correlation energy functional, which have an implicit density dependence via the Kohn-Sham kinetic-energy density. To this purpose, we construct the most simple meta-GGA by expressing the local exchange-correlation energy per particle as a function of a fictitious density, which is obtained by inverting the Thomas-Fermi kinetic-energy functional. This simple functional considerably improves the total energy of atoms as compared to the standard local density approximation. The corresponding exchange-correlation potentials are then determined exactly through a solution of the optimized effective potential equation. These potentials support an additional bound state and exhibit a derivative discontinuity at integer particle numbers. We further demonstrate that through the kinetic-energy density any meta-GGA incorporates a derivative discontinuity. However, we also find that for commonly used meta-GGAs the discontinuity is largely underestimated and in some cases even negative.

Derivative discontinuity and exchange-correlation potential of meta-GGAs in density-functional theory

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

Eich, F. G., E-mail: eichf@missouri.edu; Hellgren, Maria

2014-12-14

We investigate fundamental properties of meta-generalized-gradient approximations (meta-GGAs) to the exchange-correlation energy functional, which have an implicit density dependence via the Kohn-Sham kinetic-energy density. To this purpose, we construct the most simple meta-GGA by expressing the local exchange-correlation energy per particle as a function of a fictitious density, which is obtained by inverting the Thomas-Fermi kinetic-energy functional. This simple functional considerably improves the total energy of atoms as compared to the standard local density approximation. The corresponding exchange-correlation potentials are then determined exactly through a solution of the optimized effective potential equation. These potentials support an additional bound state andmore » exhibit a derivative discontinuity at integer particle numbers. We further demonstrate that through the kinetic-energy density any meta-GGA incorporates a derivative discontinuity. However, we also find that for commonly used meta-GGAs the discontinuity is largely underestimated and in some cases even negative.« less

Fast optimization of binary clusters using a novel dynamic lattice searching method.

PubMed

Wu, Xia; Cheng, Wen

2014-09-28

Global optimization of binary clusters has been a difficult task despite of much effort and many efficient methods. Directing toward two types of elements (i.e., homotop problem) in binary clusters, two classes of virtual dynamic lattices are constructed and a modified dynamic lattice searching (DLS) method, i.e., binary DLS (BDLS) method, is developed. However, it was found that the BDLS can only be utilized for the optimization of binary clusters with small sizes because homotop problem is hard to be solved without atomic exchange operation. Therefore, the iterated local search (ILS) method is adopted to solve homotop problem and an efficient method based on the BDLS method and ILS, named as BDLS-ILS, is presented for global optimization of binary clusters. In order to assess the efficiency of the proposed method, binary Lennard-Jones clusters with up to 100 atoms are investigated. Results show that the method is proved to be efficient. Furthermore, the BDLS-ILS method is also adopted to study the geometrical structures of (AuPd)79 clusters with DFT-fit parameters of Gupta potential.

Design and Analysis of Optimization Algorithms to Minimize Cryptographic Processing in BGP Security Protocols.

PubMed

Sriram, Vinay K; Montgomery, Doug

2017-07-01

The Internet is subject to attacks due to vulnerabilities in its routing protocols. One proposed approach to attain greater security is to cryptographically protect network reachability announcements exchanged between Border Gateway Protocol (BGP) routers. This study proposes and evaluates the performance and efficiency of various optimization algorithms for validation of digitally signed BGP updates. In particular, this investigation focuses on the BGPSEC (BGP with SECurity extensions) protocol, currently under consideration for standardization in the Internet Engineering Task Force. We analyze three basic BGPSEC update processing algorithms: Unoptimized, Cache Common Segments (CCS) optimization, and Best Path Only (BPO) optimization. We further propose and study cache management schemes to be used in conjunction with the CCS and BPO algorithms. The performance metrics used in the analyses are: (1) routing table convergence time after BGPSEC peering reset or router reboot events and (2) peak-second signature verification workload. Both analytical modeling and detailed trace-driven simulation were performed. Results show that the BPO algorithm is 330% to 628% faster than the unoptimized algorithm for routing table convergence in a typical Internet core-facing provider edge router.

Breaking the Barrier to Slow Water Exchange Rates for Optimal Magnetic Resonance Detection of paraCEST Agents.

PubMed

Fernando, W Shirangi; Martins, André F; Zhao, Piyu; Wu, Yunkou; Kiefer, Garry E; Platas-Iglesias, Carlos; Sherry, A Dean

2016-03-21

EuDOTA-tetraamide complexes as paraCEST agents offer an attractive platform for designing biological sensors and responsive agents. The early versions of these agents showed low sensitivity at temperature and power levels suitable for in vivo applications partly due to non-optimal water exchange rates. Here we report two new EuDOTA derivatives having glutamyl-phosphonate side arms that display the slowest water exchange rates of any other paraCEST agent reported so far. The advantages of such systems are demonstrated experimentally both in vitro and in vivo and DFT calculations were performed to help understand the physical-chemical reasons for this interesting behavior.

Research on Heat Exchange Process in Aircraft Air Conditioning System

NASA Astrophysics Data System (ADS)

Chichindaev, A. V.

2017-11-01

Using of heat-exchanger-condenser in the air conditioning system of the airplane Tu-204 (Boeing, Airbus, Superjet 100, MS-21, etc.) for cooling the compressed air by the cold air with negative temperature exiting the turbine results in a number of operational problems. Mainly it’s frosting of the heat exchange surface, which is the cause of live-section channels frosting, resistance increasing and airflow in the system decreasing. The purpose of this work is to analyse the known freeze-up-fighting methods for heat-exchanger-condenser, description of the features of anti-icing protection and offering solutions to this problem. For the problem of optimizing the design of heat exchangers in this work used generalized criterion that describes the ratio of thermal resistances of cold and hot sections, which include: the ratio of the initial values of heat transfer agents flow state; heat exchange surface finning coefficients; factors which describes the ratio of operating parameters and finning area. By controlling the ratio of the thermal resistances can be obtained the desired temperature of the heat exchange surface, which would prevent freezing. The work presents the results of a numerical study of the effect of different combinations of regime and geometrical factors changes on reduction of the heat-exchanger-condenser freezing surface area, including using of variable ratio of thermal resistances.

Heat Exchangers for Utilization of the Heat of High-Temperature Geothermal Brines

NASA Astrophysics Data System (ADS)

Alkhasov, A. B.; Alkhasova, D. A.

2018-03-01

The basic component of two-circuit geothermal systems is the heat exchanger. When used in geothermal power systems, conventional shell-and-tube and plate heat exchangers cause problems related to the cleaning of the latter from salt-deposition and corrosion products. Their lifetime does not exceed, as a rule, 1 year. To utilize the heat of high-temperature geothermal brines, a heat exchanger of the "tube-in-tube" type is proposed. A heat exchanger of this design has been operated for several years in Ternair geothermal steam field; in this heat exchanger, the thermal potential of the saline thermal water is transferred to the fresh water of the secondary circuit of the heating system for apartment houses. The reduction in the weight and size characteristics of the heat exchangers is a topical problem that can be solved with the help of heat transfer enhancers. To enhance the heat transfer process in the heat exchanger, longitudinal ribbing of the heat exchange surface is proposed. The increase in the heat exchange surface from the heat carrier side by ribbing results in an increase in the amount of the heat transferred from the heating agent. The heat exchanger is easy to manufacture and is assembled out of components comprised of two concentrically positioned tubes of a definite length, 3-6 m, serially connected with each other. The method for calculation of the impact of the number and the size of the longitudinal ribs on the heat transfer in the well heat exchanger is presented and a criterion for the selection of the optimal number and design parameters of the ribs is formulated. To prevent the corrosion and salt deposition in the heat exchanger, the use of an effective OEDFK (oxyethylidenediphosphonic acid) agent is proposed. This agent has a long-lasting corrosion-inhibiting and antiscaling effect, which is explained by the formation of a strongly adhesive chelate layer difficult to wash off the surface. The passivating OEDFK layer is restored by periodical pulsed introduction of the agent solution into the brine at the heat exchanger inlet.

15N Hyperpolarization by Reversible Exchange Using SABRE-SHEATH

PubMed Central

2016-01-01

NMR signal amplification by reversible exchange (SABRE) is a NMR hyperpolarization technique that enables nuclear spin polarization enhancement of molecules via concurrent chemical exchange of a target substrate and parahydrogen (the source of spin order) on an iridium catalyst. Recently, we demonstrated that conducting SABRE in microtesla fields provided by a magnetic shield enables up to 10% 15N-polarization (Theis, T.; et al. J. Am. Chem. Soc.2015, 137, 1404). Hyperpolarization on 15N (and heteronuclei in general) may be advantageous because of the long-lived nature of the hyperpolarization on 15N relative to the short-lived hyperpolarization of protons conventionally hyperpolarized by SABRE, in addition to wider chemical shift dispersion and absence of background signal. Here we show that these unprecedented polarization levels enable 15N magnetic resonance imaging. We also present a theoretical model for the hyperpolarization transfer to heteronuclei, and detail key parameters that should be optimized for efficient 15N-hyperpolarization. The effects of parahydrogen pressure, flow rate, sample temperature, catalyst-to-substrate ratio, relaxation time (T1), and reversible oxygen quenching are studied on a test system of 15N-pyridine in methanol-d4. Moreover, we demonstrate the first proof-of-principle 13C-hyperpolarization using this method. This simple hyperpolarization scheme only requires access to parahydrogen and a magnetic shield, and it provides large enough signal gains to enable one of the first 15N images (2 × 2 mm2 resolution). Importantly, this method enables hyperpolarization of molecular sites with NMR T1 relaxation times suitable for biomedical imaging and spectroscopy. PMID:25960823

15N Hyperpolarization by Reversible Exchange Using SABRE-SHEATH.

PubMed

Truong, Milton L; Theis, Thomas; Coffey, Aaron M; Shchepin, Roman V; Waddell, Kevin W; Shi, Fan; Goodson, Boyd M; Warren, Warren S; Chekmenev, Eduard Y

2015-04-23

NMR signal amplification by reversible exchange (SABRE) is a NMR hyperpolarization technique that enables nuclear spin polarization enhancement of molecules via concurrent chemical exchange of a target substrate and parahydrogen (the source of spin order) on an iridium catalyst. Recently, we demonstrated that conducting SABRE in microtesla fields provided by a magnetic shield enables up to 10% 15 N-polarization (Theis, T.; et al. J. Am. Chem. Soc. 2015 , 137 , 1404). Hyperpolarization on 15 N (and heteronuclei in general) may be advantageous because of the long-lived nature of the hyperpolarization on 15 N relative to the short-lived hyperpolarization of protons conventionally hyperpolarized by SABRE, in addition to wider chemical shift dispersion and absence of background signal. Here we show that these unprecedented polarization levels enable 15 N magnetic resonance imaging. We also present a theoretical model for the hyperpolarization transfer to heteronuclei, and detail key parameters that should be optimized for efficient 15 N-hyperpolarization. The effects of parahydrogen pressure, flow rate, sample temperature, catalyst-to-substrate ratio, relaxation time ( T 1 ), and reversible oxygen quenching are studied on a test system of 15 N-pyridine in methanol- d 4 . Moreover, we demonstrate the first proof-of-principle 13 C-hyperpolarization using this method. This simple hyperpolarization scheme only requires access to parahydrogen and a magnetic shield, and it provides large enough signal gains to enable one of the first 15 N images (2 × 2 mm 2 resolution). Importantly, this method enables hyperpolarization of molecular sites with NMR T 1 relaxation times suitable for biomedical imaging and spectroscopy.

Efficiency of exchange schemes in replica exchange

NASA Astrophysics Data System (ADS)

Lingenheil, Martin; Denschlag, Robert; Mathias, Gerald; Tavan, Paul

2009-08-01

In replica exchange simulations a fast diffusion of the replicas through the temperature space maximizes the efficiency of the statistical sampling. Here, we compare the diffusion speed as measured by the round trip rates for four exchange algorithms. We find different efficiency profiles with optimal average acceptance probabilities ranging from 8% to 41%. The best performance is determined by benchmark simulations for the most widely used algorithm, which alternately tries to exchange all even and all odd replica pairs. By analytical mathematics we show that the excellent performance of this exchange scheme is due to the high diffusivity of the underlying random walk.

Factors in electrode fabrication for performance enhancement of anion exchange membrane water electrolysis

NASA Astrophysics Data System (ADS)

Cho, Min Kyung; Park, Hee-Young; Choe, Seunghoe; Yoo, Sung Jong; Kim, Jin Young; Kim, Hyoung-Juhn; Henkensmeier, Dirk; Lee, So Young; Sung, Yung-Eun; Park, Hyun S.; Jang, Jong Hyun

2017-04-01

To improve the cell performance for alkaline anion exchange membrane water electrolysis (AEMWE), the effects of the amount of polytetrafluoroethylene (PTFE) non-ionomeric binder in the anode and the hot-pressing conditions during the fabrication of the membrane electrode assemblies (MEAs) on cell performances are studied. The electrochemical impedance data indicates that hot-pressing at 50 °C for 1 min during MEA construction can reduce the polarization resistance of AEMWE by ∼12%, and increase the initial water electrolysis current density at 1.8 V (from 195 to 243 mA cm-2). The electrochemical polarization and impedance results also suggest that the AEMWE performance is significantly affected by the content of PTFE binder in the anode electrode, and the optimal content is found to be 9 wt% between 5 and 20 wt%. The AEMWE device fabricated with the optimized parameters exhibits good water splitting performance (299 mA cm-2 at 1.8 V) without noticeable degradation in voltage cycling operations.

Optimization of sodium loading on zeolite support for catalyzed transesterification of triolein with methanol.

PubMed

Wang, Yu-Yuan; Chou, Hsin-Yu; Chen, Bing-Hung; Lee, Duu-Jong

2013-10-01

Optimization of sodium loading on zeolite HY for catalyzed transesterification of triolein in excess methanol to biodiesel was studied. Zeolite HY catalyst was activated by loading sodium ions to their surface via an ion-exchange method. The effects of ion-exchange process parameters, including the temperature, the process time, the pH value, as well as concentrations and sources of Na(+) cations (NaOH, NaCl and Na2SO4), on the conversion yield of triolein to biodiesel were investigated. Most of these Na(+)-activated zeolite HY catalysts could really facilitate the catalyzed transesterification reaction of triolein to biodiesel at a lower temperature near 65°C. Consequently, a high conversion yield of triglycerides to biodiesel at 97.3% was obtained at 65°C. Moreover, the durability of zeolite catalysts was examined as well. Catalytic performance tests of these zeolite catalysts in transesterification did not show a significant decrease in catalysis at least for three batch cycles. Copyright © 2013 Elsevier Ltd. All rights reserved.

Experimental Study and Optimization of Thermoelectricity-Driven Autonomous Sensors for the Chimney of a Biomass Power Plant

NASA Astrophysics Data System (ADS)

Rodríguez, A.; Astrain, D.; Martínez, A.; Aranguren, P.

2014-06-01

In the work discussed in this paper a thermoelectric generator was developed to harness waste heat from the exhaust gas of a boiler in a biomass power plant and thus generate electric power to operate a flowmeter installed in the chimney, to make it autonomous. The main objective was to conduct an experimental study to optimize a previous design obtained after computational work based on a simulation model for thermoelectric generators. First, several places inside and outside the chimney were considered as sites for the thermoelectricity-driven autonomous sensor. Second, the thermoelectric generator was built and tested to assess the effect of the cold-side heat exchanger on the electric power, power consumption by the flowmeter, and transmission frequency. These tests provided the best configuration for the heat exchanger, which met the transmission requirements for different working conditions. The final design is able to transmit every second and requires neither batteries nor electric wires. It is a promising application in the field of thermoelectric generation.

A cooperative model for IS security risk management in distributed environment.

PubMed

Feng, Nan; Zheng, Chundong

2014-01-01

Given the increasing cooperation between organizations, the flexible exchange of security information across the allied organizations is critical to effectively manage information systems (IS) security in a distributed environment. In this paper, we develop a cooperative model for IS security risk management in a distributed environment. In the proposed model, the exchange of security information among the interconnected IS under distributed environment is supported by Bayesian networks (BNs). In addition, for an organization's IS, a BN is utilized to represent its security environment and dynamically predict its security risk level, by which the security manager can select an optimal action to safeguard the firm's information resources. The actual case studied illustrates the cooperative model presented in this paper and how it can be exploited to manage the distributed IS security risk effectively.

Inorganic-ligand exchanging time effect in PbS quantum dot solar cell

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

Kim, Byung-Sung; Hong, John; Hou, Bo

2016-08-08

We investigate time-dependent inorganic ligand exchanging effect and photovoltaic performance of lead sulfide (PbS) nanocrystal films. With optimal processing time, volume shrinkage induced by residual oleic acid of the PbS colloidal quantum dot (CQD) was minimized and a crack-free film was obtained with improved flatness. Furthermore, sufficient surface passivation significantly increased the packing density by replacing from long oleic acid to a short iodide molecule. It thus facilities exciton dissociation via enhanced charge carrier transport in PbS CQD films, resulting in the improved power conversion efficiency from 3.39% to 6.62%. We also found that excess iodine ions on the PbSmore » surface rather hinder high photovoltaic performance of the CQD solar cell.« less

Biochemical effects of the hypoglycaemic compound diphenyleneiodonium. Catalysis of anion–hydroxyl ion exchange across the inner membrane of rat liver mitochondria and effects on oxygen uptake

PubMed Central

Holland, P. C.; Sherratt, H. S. A.

1972-01-01

1. The hypoglycaemic compound diphenyleneiodonium causes rapid and extensive swelling of rat liver mitochondria suspended in 150mm-NH4Cl, and in 150mm-KCl in the presence of 2,4-dinitrophenol and valinomycin. This indicates that diphenyleneiodonium catalyses a compulsory exchange of OH− for Cl− across the mitochondrial inner membrane. Br− and SCN− were the only other anions found whose exchange for OH− is catalysed by diphenyleneiodonium. 2. Diphenyleneiodonium inhibited state 3 respiration of mitochondria and slightly stimulated state 4 respiration with succinate or glutamate as substrate in a standard Cl−-containing medium. 3. Diphenyleneiodonium did not inhibit state 3 respiration significantly in two Cl−-free media (based on glycerol 2-phosphate or sucrose) but caused some stimulation of state 4. 4. In Cl−-containing medium diphenyleneiodonium only slightly inhibited the 2,4-dinitrophenol-stimulated adenosine triphosphatase and it had little effect in the absence of Cl−. 5. The inhibition of respiration in the presence of Cl− is dependent on the Cl−–OH− exchange. 2,4-Dichlorodiphenyleneiodonium is ten times as active as diphenyleneiodonium both in causing swelling of mitochondria suspended in 150mm-NH4Cl and in inhibiting state 3 respiration in Cl−-containing medium. Indirect evidence suggests that the Cl−–OH− exchange impairs the rate of uptake of substrate anions. 6. It is proposed that stimulation of state 4 respiration in the absence of Cl− depends, at least in part, on an electrogenic uptake of diphenyleneiodonium cations. 7. Tripropyl-lead acetate, methylmercuric iodide and nine substituted diphenyleneiodonium derivatives also catalyse Cl−–OH− exchange across the mitochondrial membrane. 8. Diphenyleneiodonium is compared with the trialkyltin compounds, which are also known to mediate Cl−–OH− exchange and which have in addition strong oligomycin-like effects on respiration. It is concluded that diphenyleneiodonium is specific for catalysing anion–OH− exchange and will be a useful reagent for investigating membrane-dependent systems. PMID:4265024

Gas transfer model to design a ventilator for neonatal total liquid ventilation.

PubMed

Bonfanti, Mirko; Cammi, Antonio; Bagnoli, Paola

2015-12-01

The study was aimed to optimize the gas transfer in an innovative ventilator for neonatal Total Liquid Ventilation (TLV) that integrates the pumping and oxygenation functions in a non-volumetric pulsatile device made of parallel flat silicone membranes. A computational approach was adopted to evaluate oxygen (O2) and carbon dioxide (CO2) exchanges between the liquid perfluorocarbon (PFC) and the oxygenating gas, as a function of the geometrical parameter of the device. A 2D semi-empirical model was implemented to this purpose using Comsol Multiphysics to study both the fluid dynamics and the gas exchange in the ventilator. Experimental gas exchanges measured with a preliminary prototype were compared to the simulation outcomes to prove the model reliability. Different device configurations were modeled to identify the optimal design able to guarantee the desired gas transfer. Good agreement between experimental and simulation outcomes was obtained, validating the model. The optimal configuration, able to achieve the desired gas exchange (ΔpCO2 = 16.5 mmHg and ΔpO2 = 69 mmHg), is a device comprising 40 modules, 300 mm in length (total exchange area = 2.28 m(2)). With this configuration gas transfer performance is satisfactory for all the simulated settings, proving good adaptability of the device. Copyright © 2015 IPEM. Published by Elsevier Ltd. All rights reserved.

Four-state virtual research peer exchange 2015 : final report.

DOT National Transportation Integrated Search

2016-01-01

The transportation research programs in Idaho, Nevada, South Dakota, and Wyoming each hosted a multi-state : online webinar-based peer exchange consisting of a series of four webinars addressing four topics: : - Research Quality: optimizing the value...

Two-dimensional solid-phase extraction strategy for the selective enrichment of aminoglycosides in milk.

PubMed

Shen, Aijin; Wei, Jie; Yan, Jingyu; Jin, Gaowa; Ding, Junjie; Yang, Bingcheng; Guo, Zhimou; Zhang, Feifang; Liang, Xinmiao

2017-03-01

An orthogonal two-dimensional solid-phase extraction strategy was established for the selective enrichment of three aminoglycosides including spectinomycin, streptomycin, and dihydrostreptomycin in milk. A reversed-phase liquid chromatography material (C 18 ) and a weak cation-exchange material (TGA) were integrated in a single solid-phase extraction cartridge. The feasibility of two-dimensional clean-up procedure that experienced two-step adsorption, two-step rinsing, and two-step elution was systematically investigated. Based on the orthogonality of reversed-phase and weak cation-exchange procedures, the two-dimensional solid-phase extraction strategy could minimize the interference from the hydrophobic matrix existing in traditional reversed-phase solid-phase extraction. In addition, high ionic strength in the extracts could be effectively removed before the second dimension of weak cation-exchange solid-phase extraction. Combined with liquid chromatography and tandem mass spectrometry, the optimized procedure was validated according to the European Union Commission directive 2002/657/EC. A good performance was achieved in terms of linearity, recovery, precision, decision limit, and detection capability in milk. Finally, the optimized two-dimensional clean-up procedure incorporated with liquid chromatography and tandem mass spectrometry was successfully applied to the rapid monitoring of aminoglycoside residues in milk. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ab Initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground State

PubMed Central

2018-01-01

We introduce a simple scheme to efficiently compute photon exchange-correlation contributions due to the coupling to transversal photons as formulated in the newly developed quantum-electrodynamical density-functional theory (QEDFT).1−5 Our construction employs the optimized-effective potential (OEP) approach by means of the Sternheimer equation to avoid the explicit calculation of unoccupied states. We demonstrate the efficiency of the scheme by applying it to an exactly solvable GaAs quantum ring model system, a single azulene molecule, and chains of sodium dimers, all located in optical cavities and described in full real space. While the first example is a two-dimensional system and allows to benchmark the employed approximations, the latter two examples demonstrate that the correlated electron-photon interaction appreciably distorts the ground-state electronic structure of a real molecule. By using this scheme, we not only construct typical electronic observables, such as the electronic ground-state density, but also illustrate how photon observables, such as the photon number, and mixed electron-photon observables, for example, electron–photon correlation functions, become accessible in a density-functional theory (DFT) framework. This work constitutes the first three-dimensional ab initio calculation within the new QEDFT formalism and thus opens up a new computational route for the ab initio study of correlated electron–photon systems in quantum cavities. PMID:29594185

Performance and Mass Modeling Subtleties in Closed-Brayton-Cycle Space Power Systems

NASA Technical Reports Server (NTRS)

Barrett, Michael J.; Johnson, Paul K.

2005-01-01

Contents include the following: 1. Closed-Brayton-cycle (CBC) thermal energy conversion is one available option for future spacecraft and surface systems. 2. Brayton system conceptual designs for milliwatt to megawatt power converters have been developed 3. Numerous features affect overall optimized power conversion system performance: Turbomachinery efficiency. Heat exchanger effectiveness. Working-fluid composition. Cycle temperatures and pressures.

Ecosystem processes at the watershed scale: extending optimality theory from plot to catchment

Treesearch

Taehee Hwang; Lawrence Band; T.C. Hale

2009-01-01

The adjustment of local vegetation conditions to limiting soil water by either maximizing productivity or minimizing water stress has been an area of central interest in ecohydrology since Eagleson’s classic study. This work has typically been limited to consider one-dimensional exchange and cycling within patches and has not incorporated the effects of lateral...

A Semi-Infinite Programming based algorithm for determining T-optimum designs for model discrimination

PubMed Central

Duarte, Belmiro P.M.; Wong, Weng Kee; Atkinson, Anthony C.

2016-01-01

T-optimum designs for model discrimination are notoriously difficult to find because of the computational difficulty involved in solving an optimization problem that involves two layers of optimization. Only a handful of analytical T-optimal designs are available for the simplest problems; the rest in the literature are found using specialized numerical procedures for a specific problem. We propose a potentially more systematic and general way for finding T-optimal designs using a Semi-Infinite Programming (SIP) approach. The strategy requires that we first reformulate the original minimax or maximin optimization problem into an equivalent semi-infinite program and solve it using an exchange-based method where lower and upper bounds produced by solving the outer and the inner programs, are iterated to convergence. A global Nonlinear Programming (NLP) solver is used to handle the subproblems, thus finding the optimal design and the least favorable parametric configuration that minimizes the residual sum of squares from the alternative or test models. We also use a nonlinear program to check the global optimality of the SIP-generated design and automate the construction of globally optimal designs. The algorithm is successfully used to produce results that coincide with several T-optimal designs reported in the literature for various types of model discrimination problems with normally distributed errors. However, our method is more general, merely requiring that the parameters of the model be estimated by a numerical optimization. PMID:27330230

A Semi-Infinite Programming based algorithm for determining T-optimum designs for model discrimination.

PubMed

Duarte, Belmiro P M; Wong, Weng Kee; Atkinson, Anthony C

2015-03-01

T-optimum designs for model discrimination are notoriously difficult to find because of the computational difficulty involved in solving an optimization problem that involves two layers of optimization. Only a handful of analytical T-optimal designs are available for the simplest problems; the rest in the literature are found using specialized numerical procedures for a specific problem. We propose a potentially more systematic and general way for finding T-optimal designs using a Semi-Infinite Programming (SIP) approach. The strategy requires that we first reformulate the original minimax or maximin optimization problem into an equivalent semi-infinite program and solve it using an exchange-based method where lower and upper bounds produced by solving the outer and the inner programs, are iterated to convergence. A global Nonlinear Programming (NLP) solver is used to handle the subproblems, thus finding the optimal design and the least favorable parametric configuration that minimizes the residual sum of squares from the alternative or test models. We also use a nonlinear program to check the global optimality of the SIP-generated design and automate the construction of globally optimal designs. The algorithm is successfully used to produce results that coincide with several T-optimal designs reported in the literature for various types of model discrimination problems with normally distributed errors. However, our method is more general, merely requiring that the parameters of the model be estimated by a numerical optimization.

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Determination of the Prosumer's Optimal Bids

NASA Astrophysics Data System (ADS)

Ferruzzi, Gabriella; Rossi, Federico; Russo, Angela

2015-12-01

This paper considers a microgrid connected with a medium-voltage (MV) distribution network. It is assumed that the microgrid, which is managed by a prosumer, operates in a competitive environment and participates in the day-ahead market. Then, as the first step of the short-term management problem, the prosumer must determine the bids to be submitted to the market. The offer strategy is based on the application of an optimization model, which is solved for different hourly price profiles of energy exchanged with the main grid. The proposed procedure is applied to a microgrid and four different its configurations were analyzed. The configurations consider the presence of thermoelectric units that only produce electricity, a boiler or/and cogeneration power plants for the thermal loads, and an electric storage system. The numerical results confirmed the numerous theoretical considerations that have been made.

Multi-stage flash degaser

DOEpatents

Rapier, Pascal M.

1982-01-01

A multi-stage flash degaser (18) is incorporated in an energy conversion system (10) having a direct-contact, binary-fluid heat exchanger to remove essentially all of the noncondensable gases from geothermal brine ahead of the direct-contact binary-fluid heat exchanger (22) in order that the heat exchanger (22) and a turbine (48) and condenser (32) of the system (10) can operate at optimal efficiency.

The effects of culture and cohesiveness on intragroup conflict and effectiveness.

PubMed

Nibler, Roger; Harris, Karen L

2003-10-01

To investigate the influence of culture and cohesiveness on intragroup conflict and effectiveness, the authors made comparisons among groups of U.S. friends and strangers and among groups of Chinese friends and strangers. Groups consisting of 5 members of the same culture engaged in a decision-making task. Among U.S. participants, task conflict and performance results tended to vary together. U.S. strangers reported little task conflict (disagreements about fact or opinion) and performed relatively poorly, whereas U.S. friends' performances benefited from an uninhibited exchange of individual ideas and opinions. In contrast, Chinese participants reported uniformly high levels of intragroup conflict and experienced relatively low performance. The results suggest that a task conflict advantage, with which group members feel comfortable enough to freely express and exchange opinions and disagree with each other to achieve optimal outcomes, might be culture specific.

New ion-exchanged zeolite derivatives: antifungal and antimycotoxin properties against Aspergillus flavus and aflatoxin B1

NASA Astrophysics Data System (ADS)

Savi, Geovana D.; Cardoso, Willian A.; Furtado, Bianca G.; Bortolotto, Tiago; Da Agostin, Luciana O. V.; Nones, Janaína; Torres Zanoni, Elton; Montedo, Oscar R. K.; Angioletto, Elidio

2017-08-01

Zeolites are microporous crystalline hydrated aluminosilicates with absorbent and catalytic properties. This material can be used in many applications in stored-pest management such as: pesticide and fertilizer carriers, animal feed additives, mycotoxin binders and food packaging materials. Herein, four 4A zeolite forms were prepared by ion-exchange and their antifungal effect against Aspergillus flavus was highlighted. Additionally, the antimycotoxin activity and the aflatoxin B1 (AFB1) adsorption capacity of these zeolites as well as their toxic effects on Artemia sp. were investigated. The ion-exchanged zeolites with Li+ and Cu2+ showed the best antifungal activity against A. flavus, including effects on conidia germination and hyphae morphological alterations. Regarding to antimycotoxin activity, all zeolite samples efficiently inhibited the AFB1 production by A. flavus. However, the ion-exchanged zeolites exhibited better results than the 4A zeolite. On the other hand, the AFB1 adsorption capacity was only observed by the 4A zeolite and zeolite-Li+. Lastly, our data showed that all zeolites samples used at effective concentrations for antifungal and antimycotoxin assays (2 mg ml-1) showed no toxic effects towards Artemia sp. Results suggest that some these ion-exchanged zeolites have great potential as an effective fungicide and antimycotoxin agent for agricultural and food safety applications.

Queue and stack sorting algorithm optimization and performance analysis

NASA Astrophysics Data System (ADS)

Qian, Mingzhu; Wang, Xiaobao

2018-04-01

Sorting algorithm is one of the basic operation of a variety of software development, in data structures course specializes in all kinds of sort algorithm. The performance of the sorting algorithm is directly related to the efficiency of the software. A lot of excellent scientific research queue is constantly optimizing algorithm, algorithm efficiency better as far as possible, the author here further research queue combined with stacks of sorting algorithms, the algorithm is mainly used for alternating operation queue and stack storage properties, Thus avoiding the need for a large number of exchange or mobile operations in the traditional sort. Before the existing basis to continue research, improvement and optimization, the focus on the optimization of the time complexity of the proposed optimization and improvement, The experimental results show that the improved effectively, at the same time and the time complexity and space complexity of the algorithm, the stability study corresponding research. The improvement and optimization algorithm, improves the practicability.

User's manual for the BNW-I optimization code for dry-cooled power plants. [AMCIRC

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

Braun, D.J.; Daniel, D.J.; De Mier, W.V.

1977-01-01

This appendix provides a listing, called Program AMCIRC, of the BNW-1 optimization code for determining, for a particular size power plant, the optimum dry cooling tower design using ammonia flow in the heat exchanger tubes. The optimum design is determined by repeating the design of the cooling system over a range of design conditions in order to find the cooling system with the smallest incremental cost. This is accomplished by varying five parameters of the plant and cooling system over ranges of values. These parameters are varied systematically according to techniques that perform pattern and gradient searches. The dry coolingmore » system optimized by program AMCIRC is composed of a condenser/reboiler (condensation of steam and boiling of ammonia), piping system (transports ammonia vapor out and ammonia liquid from the dry cooling towers), and circular tower system (vertical one-pass heat exchangers situated in circular configurations with cocurrent ammonia flow in the tubes of the heat exchanger). (LCL)« less

Heat exchangers made of polymer-bonded La(Fe,Si)13

NASA Astrophysics Data System (ADS)

Skokov, K. P.; Karpenkov, D. Yu.; Kuz'min, M. D.; Radulov, I. A.; Gottschall, T.; Kaeswurm, B.; Fries, M.; Gutfleisch, O.

2014-05-01

We report on magnetocaloric properties of polymer-bonded La(Fe,Si)13 heat exchangers with respect to the grain size of the powder used and the pressure applied for compaction of plates. Quite remarkably, it was found that the values of the adiabatic temperature change of polymer-bonded plates are 10% higher than in the initial bulk material. A critical value of the pressure applied during the compaction was found. Exceeding this value leads to a drastic reduction of the magnetocaloric effect due to cracking and comminution of the initial 50-100 μm grains down to 1-10 μm fragments. Compacting the LaFe11.6Si1.4 powder with 5 wt. % of silver epoxy under an optimal pressure of 0.1 GPa resulted in the production of 0.6 mm-thick plates. These plates were subsequently stacked and glued together into a simple porous heat exchanger with straight 0.6 mm-width channels.

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

Li, Yuzhan; Zhang, Yuehong; Rios, Orlando

In this study, a liquid crystalline epoxy network (LCEN) with exchangeable disulfide bonds is synthesized by polymerizing a biphenyl-based epoxy monomer with an aliphatic dicarboxylic acid curing agent containing a disulfide bond. The effect of disulfide bonds on curing behavior and liquid crystalline (LC) phase formation of the LCEN is investigated. The presence of the disulfide bonds results in an increase in the reaction rate, leading to a reduction in liquid crystallinity of the LCEN. In order to promote LC phase formation and stabilize the self-assembled LC domains, a similar aliphatic dicarboxylic acid without the disulfide bond is used asmore » a co-curing agent to reduce the amount of exchangeable disulfide bonds in the system. After optimizing the molar ratio of the two curing agents, the resulting LCEN exhibits improved reprocessability and recyclability because of the disulfide exchange reactions, while preserving LC properties, such as the reversible LC phase transition and macroscopic LC orientation, for shape memory applications.« less

Violation of the continuity equation in the Krieger-Li-Iafrate approximation for current-density functional theory

NASA Astrophysics Data System (ADS)

Siegmund, Marc; Pankratov, Oleg

2011-01-01

We show that the exchange-correlation scalar and vector potentials obtained from the optimized effective potential (OEP) equations and from the Krieger-Li-Iafrate (KLI) approximation for the current-density functional theory (CDFT) change under a gauge transformation such that the energy functional remains invariant. This alone does not assure, however, the theory’s compliance with the continuity equation. Using the model of a quantum ring with a broken angular symmetry which is penetrated by a magnetic flux we demonstrate that the physical current density calculated with the exact-exchange CDFT in the KLI approximation violates the continuity condition. In contrast, the current found from a solution of the full OEP equations satisfies this condition. We argue that the continuity violation stems from the fact that the KLI potentials are not (in general) the exact functional derivatives of a gauge-invariant exchange-correlation functional.

A proposed model for small-world structural organization of mission teams and tasks in order to optimize efficiency and minimize costs

NASA Astrophysics Data System (ADS)

Ribeiro, André S.; Almeida, Miguel

2003-11-01

We propose a model of structural organization and intercommunication between all elements of every team involved in the development of a space probe to improve efficiency. Such structure is built to minimize path between any two elements, allowing fast information flow in the structure. Structures are usually very clustered inside each task team but only the heads of departments, or occasional meetings, usually assure the links between team elements. This is responsible for a lack of information exchange between staff members of each team. We propose the establishment of permanent small working groups of staff elements from different teams, in a random but permanent basis. The elements chosen for such connections establishment can be chosen in a temporary basis, but the connections must exist permanently because only with permanent connections can information flow when needed. A few of such random connections between staff members will diminish the average path length, between any two elements of any team, for information exchange. A small world structure will emerge with low internal energy costs, which is the structure used by biological neuronal systems.

A proposed model for small-world structural organization of mission teams and tasks in order to optimize efficiency and minimize costs

NASA Astrophysics Data System (ADS)

Ribeiro, André S.; Almeida, Miguel

2006-10-01

We propose a model of structural organization and intercommunication between all elements of every team involved in the development of a space probe to improve efficiency. Such structure is built to minimize path between any two elements, allowing fast information flow in the structure. Structures are usually very clustered inside each task team but only the heads of departments, or occasional meetings, usually assure the links between team elements. This is responsible for a lack of information exchange between staff members of each team. We propose the establishment of permanent small working groups of staff elements from different teams, in a random but permanent basis. The elements chosen for such connections establishment can be chosen on a temporary basis, but the connections must exist permanently because only with permanent connections can information flow when needed. A few of such random connections between staff members will diminish the average path length, between any two elements of any team, for information exchange. A small world structure will emerge with low internal energy costs, which is the structure used by biological neuronal systems.

Optimised effective potential for ground states, excited states, and time-dependent phenomena

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

Gross, E.K.U.

1996-12-31

(1) The optimized effective potential method is a variant of the traditional Kohn-Sham scheme. In this variant, the exchange-correlation energy E{sub xc} is an explicit functional of single-particle orbitals. The exchange-correlation potential, given as usual by the functional derivative v{sub xc} = {delta}E{sub xc}/{delta}{rho}, then satisfies as integral equation involving the single-particle orbitals. This integral equation in solved semi-analytically using a scheme recently proposed by Krieger, Li and Iafrate. If the exact (Fock) exchange-energy functional is employed together with the Colle-Salvetti orbital functional for the correlation energy, the mean absolute deviation of the resulting ground-state energies from the exact nonrelativisticmore » values is CT mH for the first-row atoms, as compared to 4.5 mH in a state-of-the-art CI calculation. The proposed scheme is thus significantly more accurate than the conventional Kohn-Sham method while the numerical effort involved is about the same as for an ordinary Hanree-Fock calculation. (2) A time-dependent generalization of the optimized-potential method is presented and applied to the linear-response regime. Since time-dependent density functional theory leads to a formally exact representation of the frequency-dependent linear density response and since the latter, as a function of frequency, has poles at the excitation energies of the fully interacting system, the formalism is suitable for the calculation of excitation energies. A simple additive correction to the Kohn-Sham single-particle excitation energies will be deduced and first results for atomic and molecular singlet and triplet excitation energies will be presented. (3) Beyond the regime of linear response, the time-dependent optimized-potential method is employed to describe atoms in strong emtosecond laser pulses. Ionization yields and harmonic spectra will be presented and compared with experimental data.« less

What would optimal vegetation do when confronted with steadily increasing atmospheric CO2

NASA Astrophysics Data System (ADS)

Roderick, M. L.; Donohue, R. J.; Yang, Y.; McVicar, T.; Farquhar, G. D.

2015-12-01

The ongoing increase in atmospheric CO2 presents an interesting opportunity for primary producers. An increase in the substrate availability would, with all else equal, stimulate fixation of carbon from the atmosphere. But all else is not necessarily equal and this is only the beginning of a cascade of changes that can ultimately be traced back to the stomatal regulation of water-carbon exchanges. We first discuss theoretical expectations and then deduce how vegetation might respond to changing CO2 in water- and energy-limited environments. We then use satellite observations to test the theoretical expectations.

High temperature heat exchanger studies for applications to gas turbines

NASA Astrophysics Data System (ADS)

Min, June Kee; Jeong, Ji Hwan; Ha, Man Yeong; Kim, Kui Soon

2009-12-01

Growing demand for environmentally friendly aero gas-turbine engines with lower emissions and improved specific fuel consumption can be met by incorporating heat exchangers into gas turbines. Relevant researches in such areas as the design of a heat exchanger matrix, materials selection, manufacturing technology, and optimization by a variety of researchers have been reviewed in this paper. Based on results reported in previous studies, potential heat exchanger designs for an aero gas turbine recuperator, intercooler, and cooling-air cooler are suggested.

Optimal electromagnetic energy transmission and real-time dissipation in extended media.

PubMed

Glasgow, S; Ware, M

2014-02-24

Pulse reshaping effects that give rise to fast and slow light phenomena are inextricably linked to the dynamics of energy exchange between the pulse and the propagation medium. Energy that is dissipated from the pulse can no longer participate in this exchange process, but previous methods of calculating real-time dissipation are not valid for extended propagation media. We present a method for calculating real-time dissipation that is valid for electromagnetic pulse propagation in extended media. This method allows one to divide the energy stored in an extended medium into the portion that can be later transmitted out of the medium, and that portion which must be lost to either dissipation or reflection.

Long-term myocardial preservation: beneficial and additive effects of polarized arrest (Na+-channel blockade), Na+/H+-exchange inhibition, and Na+/K+/2Cl- -cotransport inhibition combined with calcium desensitization.

PubMed

Snabaitis, A K; Chambers, D

1999-11-27

Polarized arrest, induced by tetrodotoxin (TTX) at an optimal concentration of 22 micromol/L, has been shown to reduce ionic imbalance and improve myocardial preservation compared with hyperkalemic (depolarized) arrest. Additional pharmacologic manipulation of ionic changes (involving inhibition of Na+ influx by the Na+/H+ exchanger [HOE694] and Na+/K+/2Cl- cotransporter [furosemide], and calcium desensitization [BDM]) may further improve long-term preservation. In this study, we (i) established optimal concentrations of each drug, (ii) determined additive effects of optimal concentrations of each drug and (iii) compared our optimal preservation solution to an established depolarizing cardioplegia (St Thomas' Hospital solution No 2: STH2) used during long-term hypothermic storage for clinical transplantation. The isolated working rat heart, perfused with Krebs Henseleit (KH) buffer was used; cardiac function was measured after 20 min aerobic working mode perfusion. The hearts (n=6/group) were arrested with a 2 ml infusion (for 30 sec) of the polarizing (control) solution (22 micromol/L TTX in KH) or control+drug and subjected to 5 hr or 8 hr of storage at 7.5 degrees C in the arresting solution. Postischemic function during reperfusion was measured (expressed as percentage of preischemic function). Dose-response studies established optimal concentrations of HOE694 (10 micromol/L), furosemide (1.0 micromol/L) and BDM (30 mmol/L) in the polarizing (control) solution. Sequential addition to the control solution (Group I) of optimal concentrations of HOE694 (Group II), furosemide (Group III), and BDM (Group IV) were compared with STH2 (Group V); postischemic recovery of aortic flow was 29+/-7%, 49+/-6%*, 56+/-2%*, 76+/-3%*, and 25+/-6%, respectively (*P<0.05 vs. I and V). Creatine kinase leakage was lowest, and myocardial ATP content was highest in Group IV. A polarizing preservation solution (KH+TTX) containing HOE694, furosemide, and BDM significantly enhanced long-term preservation compared with an optimized depolarizing solution (STH2) used clinically for long-term donor heart preservation.

Gas phase 1H NMR studies and kinetic modeling of dihydrogen isotope equilibration catalyzed by Ru-nanoparticles under normal conditions: dissociative vs. associative exchange.

PubMed

Limbach, Hans-Heinrich; Pery, Tal; Rothermel, Niels; Chaudret, Bruno; Gutmann, Torsten; Buntkowsky, Gerd

2018-04-25

The equilibration of H2, HD and D2 between the gas phase and surface hydrides of solid organic-ligand-stabilized Ru metal nanoparticles has been studied by gas phase 1H NMR spectroscopy using closed NMR tubes as batch reactors at room temperature and 800 mbar. When two different nanoparticle systems, Ru/PVP (PVP ≡ polyvinylpyrrolidone) and Ru/HDA (HDA ≡ hexadecylamine) were exposed to D2 gas, only the release of HD from the hydride containing surface could be detected in the initial stages of the reaction, but no H2. In the case of Ru/HDA also the reverse experiment was performed where surface deuterated nanoparticles were exposed to H2. In that case, the conversion of H2 into gaseous HD was detected. In order to analyze the experimental kinetic and spectroscopic data, we explored two different mechanisms taking into account potential kinetic and equilibrium H/D isotope effects. Firstly, we explored the dissociative exchange mechanism consisting of dissociative adsorption of dihydrogen, fast hydride surface diffusion and associative desorption of dihydrogen. It is shown that if D2 is the reaction partner, only H2 will be released in the beginning of the reaction, and HD only in later reaction stages. The second mechanism, dubbed here associative exchange consists of the binding of dihydrogen to Ru surface atoms, followed by a H-transfer to or by H-exchange with an adjacent hydride site, and finally of the associative desorption of dihydrogen. In that case, in the exchange with D2, only HD will be released in the beginning of the reaction. Our experimental results are not compatible with the dissociative exchange but can be explained in terms of the associative exchange. Whereas the former will dominate at low temperatures and pressures, the latter will prevail around room temperature and normal pressures where transition metal nanoparticles are generally used as reaction catalysts.

78 FR 40257 - Self-Regulatory Organizations; EDGA Exchange, Inc.; Notice of Filing and Immediate Effectiveness...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-07-03

... EDGA Members. The text of the proposed rule change is available on the Exchange's Internet Web site at... received on the proposed rule change. The text of these statements may be examined at the places specified... proposes to amend Rule 11.5(c)(15), the NBBO Offset Peg Order, to state that the order type will: (1) Only...

78 FR 40227 - Self-Regulatory Organizations; EDGX Exchange, Inc.; Notice of Filing and Immediate Effectiveness...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-07-03

... EDGX Members. The text of the proposed rule change is available on the Exchange's Internet Web site at... received on the proposed rule change. The text of these statements may be examined at the places specified... proposes to amend Rule 11.5(c)(15), the NBBO Offset Peg Order, to state that the order type will: (1) Only...

77 FR 23536 - Self-Regulatory Organizations; NYSE Arca, Inc.; Notice of Filing and Immediate Effectiveness of...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-04-19

... Orders (``MOO Orders''). The text of the proposed rule change is available at the Exchange, www.nyse.com.... Purpose The Exchange proposes to amend NYSE Arca Equities Rule 7.31(t) to provide for LOO and MOO Orders... orders that are only executed within an auction.\\4\\ As proposed, LOO and MOO Orders would be defined...

Investigating the asymmetric relationship between inflation-output growth exchange rate changes

NASA Astrophysics Data System (ADS)

Chu, Jenq Fei; Sek, Siok Kun

2017-08-01

The relationship between inflation-output growth or output variation has long been studied. In this study, we extend the investigation under two exchange rate flexibility/regime in four Asian countries (Indonesia, Korea, Philippines and Thailand) that have experienced drastic exchange rate regime changes aftermath the financial crisis of 1997. These countries have switched from fixed/rigid exchange rate regime to flexible exchange rate and inflation targeting (IT) regime after the crisis. Our main objective is to compare the inflation-output trade-off relationship in the pre-IT and post-IT periods as a tool to evaluate the efficiency of monetary policy. A nonlinear autoregressive distributed lags (NARDL) model is applied to capture the asymmetric effects of exchange rate changes (increases and decreases). The data ranging from 1981M1 onwards till 2016M3. Our results show that exchange rate has asymmetric effect on inflation both short-run and long-run with larger impact in the post-IT period under flexible regime. Depreciation of exchange rate has leads to higher inflation. Furthermore, we find evidences on the relationship between inflation and growth in both short-run and long-run, but the trade-off only detected in the short run both in the pre- and post-IT periods.

Using a Spectral Method to Evaluate Hyporheic Exchange and its Effect on Reach Scale Nitrate Removal.

NASA Astrophysics Data System (ADS)

Moren, I.; Worman, A. L. E.; Riml, J.

2017-12-01

Previous studies have shown that hyporheic exchange processes can be of great importance for the transport, retention and mass removal of nutrients in streams. Specifically, the flow of surface water through the hyporheic zone enhances redox-sensitive reactions such as coupled nitrification-denitrification. This self-cleaning capacity of streams can be utilized in stream restoration projects aiming to improve water quality by reconstructing the geomorphology of the streams. To optimize the effect of restoration actions we need quantitative understanding of the linkage between stream geomorphology, hyporheic exchange processes and the desired water quality targets. Here we propose an analytical, spectral methodology to evaluate how different stream geomorphologies induce hyporheic exchange on a wide range of spatial and temporal scales. Measurements of streambed topographies and surface water profiles from agricultural streams were used to calculate the average hyporheic exchange velocity and residence times and the result was compared with in-stream tracer test. Furthermore, the hyporheic exchange induced by steps in the surface water profile was derived as a comparison of the theoretical capacity of the system. Based on differences in hyporheic exchange, the mass removal of nitrate could be derived for the different geomorphologies. The maximum nitrate mass removal was found to be related to a specific Damkhöler number, which reflects that the mass removal can be either reaction or transport controlled. Therefore, although hyporheic exchange induced by steps in the surface water profile was generally larger than the hyporheic exchange in the observed natural reaches, this would not necessarily lead a larger nitrate mass removal provided that the hyporheic residence times are not long enough to facilitate denitrification processes. The study illustrates the importance to investigate a stream thoroughly before any remediation actions are implemented, specifically to evaluate if the mass removal is reaction or transport controlled.

A Cooperative Model for IS Security Risk Management in Distributed Environment

PubMed Central

Zheng, Chundong

2014-01-01

Given the increasing cooperation between organizations, the flexible exchange of security information across the allied organizations is critical to effectively manage information systems (IS) security in a distributed environment. In this paper, we develop a cooperative model for IS security risk management in a distributed environment. In the proposed model, the exchange of security information among the interconnected IS under distributed environment is supported by Bayesian networks (BNs). In addition, for an organization's IS, a BN is utilized to represent its security environment and dynamically predict its security risk level, by which the security manager can select an optimal action to safeguard the firm's information resources. The actual case studied illustrates the cooperative model presented in this paper and how it can be exploited to manage the distributed IS security risk effectively. PMID:24563626

Covering bariatric surgery has minimal effect on insurance premium costs within the Affordable Care Act.

PubMed

English, Wayne; Williams, Brandon; Scott, John; Morton, John

2016-06-01

Currently, of the 51 state health exchanges operating under the Affordable Care Act, only 23 include benchmark plans that cover bariatric surgery coverage. Bariatric surgery coverage is not considered an essential health benefit in 28 state exchanges, and this lack of coverage has a discriminatory and detrimental impact on millions of Americans participating in state exchanges that do not provide bariatric surgery coverage. We examined 3 state exchanges in which a portion of their plans provided coverage for bariatric surgery to determine if bariatric surgery coverage is correlated with premium costs. State health exchanges; United States. Data from the 2015 state exchange plans were analyzed using information from the Centers for Medicare & Medicaid Services' Individual Market Landscape file and Benefits and Cost Sharing public use files. Only 3 states (Oklahoma, Oregon, and Virginia) in the analysis have 1 or more rating regions in which a portion of the plans cover bariatric surgery. In Oklahoma and Oregon, the average monthly premiums for all bronze, silver, and gold coverage levels are higher for plans covering bariatric surgery. Only 1 of these states included platinum plans that cover bariatric surgery. The average difference in premiums was between $1 to $45 higher in Oklahoma, and $18 to $32 higher in Oregon. Conversely, in Virginia, the average monthly premiums are between $2 and $21 lower for each level for plans covering bariatric surgery. Monthly premiums for plans covering versus not covering bariatric surgery ranged from 6% lower to 15% higher in the same geographic rating region. Across all 3 states in the sample, the average monthly premiums do not differ consistently on the basis of whether the state exchange plans cover bariatric surgery. Copyright © 2016 American Society for Bariatric Surgery. Published by Elsevier Inc. All rights reserved.

Influence of wind and river discharge on the vertical exchange process in the Pearl River Estuary

NASA Astrophysics Data System (ADS)

Hong, B.; Peng, S.

2016-02-01

Vertical exchange process is controlled by the buoyancy input from river discharge and the momentum input by wind forcing. This study investigates the vertical exchange process in the Pearl River Estuary by using a 3-D numerical model. The vertical exchange time (VET) is used to quantify the magnitude of vertical exchange process in response to changing local wind and river discharge. During the dry season, it only takes about 2 days for the surface layer water mass being transported to the bottom layer. During the wet season, such transport will take more than 20 days in a large portion of the main channel. The water in the slope area can be well ventilated. Linear regression of VET indicates that water column stratification can be used to estimate the VET and up to 71% of the variance can be accounted. The estimation by using river runoff can only account for about 49% of the variance. The effects of wind speed and direction are investigated separately. Neither river runoff nor the stratification can properly predict the VET during the typical wet season. Further investigations are needed to reveal the dynamics of vertical exchange process and find out other factors that influence the VET during the wet season.

Orbital dependent functionals: An atom projector augmented wave method implementation

NASA Astrophysics Data System (ADS)

Xu, Xiao

This thesis explores the formulation and numerical implementation of orbital dependent exchange-correlation functionals within electronic structure calculations. These orbital-dependent exchange-correlation functionals have recently received renewed attention as a means to improve the physical representation of electron interactions within electronic structure calculations. In particular, electron self-interaction terms can be avoided. In this thesis, an orbital-dependent functional is considered in the context of Hartree-Fock (HF) theory as well as the Optimized Effective Potential (OEP) method and the approximate OEP method developed by Krieger, Li, and Iafrate, known as the KLI approximation. In this thesis, the Fock exchange term is used as a simple well-defined example of an orbital-dependent functional. The Projected Augmented Wave (PAW) method developed by P. E. Blochl has proven to be accurate and efficient for electronic structure calculations for local and semi-local functions because of its accurate evaluation of interaction integrals by controlling multiple moments. We have extended the PAW method to treat orbital-dependent functionals in Hartree-Fock theory and the Optimized Effective Potential method, particularly in the KLI approximation. In the course of study we develop a frozen-core orbital approximation that accurately treats the core electron contributions for above three methods. The main part of the thesis focuses on the treatment of spherical atoms. We have investigated the behavior of PAW-Hartree Fock and PAW-KLI basis, projector, and pseudopotential functions for several elements throughout the periodic table. We have also extended the formalism to the treatment of solids in a plane wave basis and implemented PWPAW-KLI code, which will appear in future publications.

Extra corporeal membrane oxygenation to facilitate lung protective ventilation and prevent ventilator-induced lung injury in severe Pneumocystis pneumonia with pneumomediastinum: a case report and short literature review.

PubMed

Ali, Husain Shabbir; Hassan, Ibrahim Fawzy; George, Saibu

2016-04-14

Pulmonary infections caused by Pneumocystis jirovecii in immunocompromised host can be associated with cysts, pneumatoceles and air leaks that can progress to pneumomediastinum and pneumothoraxes. In such cases, it can be challenging to maintain adequate gas exchange by conventional mechanical ventilation and at the same time prevent further ventilator-induced lung injury. We report a young HIV positive male with poorly compliant lungs and pneumomediastinum secondary to severe Pneumocystis infection, rescued with veno-venous extra corporeal membrane oxygenation (V-V ECMO). A 26 year old male with no significant past medical history was admitted with fever, cough and shortness of breath. He initially required non-invasive ventilation for respiratory failure. However, his respiratory function progressively deteriorated due to increasing pulmonary infiltrates and development of pneumomediastinum, eventually requiring endotracheal intubation and invasive ventilation. Despite attempts at optimizing gas exchange by ventilatory maneuvers, patients' pulmonary parameters worsened necessitating rescue ECMO therapy. The introduction of V-V ECMO facilitated the use of ultra-protective lung ventilation and prevented progression of pneumomediastinum, maintaining optimal gas exchange. It allowed time for the antibiotics to show effect and pulmonary parenchyma to heal. Further diagnostic workup revealed Pneumocystis jirovecii as the causative organism for pneumonia and serology confirmed Human Immunodeficiency Virus infection. Patient was successfully treated with appropriate antimicrobials and de-cannulated after six days of ECMO support. ECMO was an effective salvage therapy in HIV positive patient with an otherwise fatal respiratory failure due to Pneumocystis pneumonia and air leak syndrome.

REVIEW ARTICLE: Phonons and magnetoelectric interactions in Ni3V2O8

NASA Astrophysics Data System (ADS)

Yildirim, T.; Vergara, L. I.; Íñiguez, Jorge; Musfeldt, J. L.; Harris, A. B.; Rogado, N.; Cava, R. J.; Yen, F.; Chaudhury, R. P.; Lorenz, B.

2008-10-01

We present a detailed study of the zone-center phonons and magnetoelectric interactions in Ni3V2O8. Using combined neutron scattering, polarized infrared (IR) measurements and first-principles LDA+U calculations, we successfully assigned all IR-active modes, including eleven B2u phonons which can induce the observed spontaneous electric polarization. We also calculated the Born-effective charges and the IR intensities which are in surprisingly good agreement with the experimental data. Among the eleven B2u phonons, we find that only a few of them can actually induce a significant dipole moment. The exchange interactions up to a cutoff of 6.5 Å are also calculated within the LDA+U approach with different values of U for Ni, V and O atoms. We find that LSDA (i.e. U = 0) gives excellent results concerning the optimized atomic positions, bandgap and phonon energies. However, the magnitudes of the exchange constants are too large compared to the experimental Curie-Weiss constant, Θ. Including U for Ni corrects the magnitude of the superexchange constants but opens a too large electronic bandgap. We observe that including correlation at the O site is very important to get simultaneously the correct phonon energies, bandgap and exchange constants. In particular, the nearest and next-nearest exchange constants along the Ni-spine sites result in incommensurate spin ordering with a wavevector that is consistent with the experimental data. Our results also explain how the antiferromagnetic coupling between sublattices in the b and c directions is consistent with the relatively small observed value of Θ. We also find that, regardless of the values of U used, we always get the same five exchange constants that are significantly larger than the rest. Finally, we discuss how the B2u phonons and the spin structure combine to yield the observed spontaneous polarization. We present a simple phenomenological model which shows how trilinear (and quartic) couplings of one (or two) phonons to two spin operators perturbatively affects the magnon (i.e. electromagnon) and phonon energies.

A model-data fusion analysis for examining the response of carbon exchange to environmental variation in crop field

NASA Astrophysics Data System (ADS)

Yokozawa, M.; Sakurai, G.; Ono, K.; Mano, M.; Miyata, A.

2011-12-01

Agricultural activities, cultivating crops, managing soil, harvesting and post-harvest treatments, are not only affected from the surrounding environment but also change the environment reversely. The changes in environment, temperature, radiation and precipitation, brings changes in crop productivity. On the other hand, the status of crops, i.e. the growth and phenological stage, change the exchange of energy, H2O and CO2 between crop vegetation surface and atmosphere. Conducting the stable agricultural harvests, reducing the Greenhouse Effect Gas (GHG) emission and enhancing carbon sequestration in soil are preferable as a win-win activity. We conducted model-data fusion analysis for examining the response of cropland-atmosphere carbon exchange to environmental variation. The used model consists of two sub models, paddy rice growth sub-model and soil decomposition sub-model. The crop growth sub-model mimics the rice plant growth processes including formation of reproductive organs as well as leaf expansion. The soil decomposition sub-model simulates the decomposition process of soil organic carbon. Assimilating the data on the time changes in CO2 flux measured by eddy covariance method, rice plant biomass, LAI and the final yield with the model, the parameters were calibrated using a stochastic optimization algorithm with a particle filter. The particle filter, which is one of Monte Carlo filters, enable us to evaluating time changes in parameters based on the observed data until the time and to make prediction of the system. Iterative filtering and prediction with changing parameters and/or boundary condition enable us to obtain time changes in parameters governing the crop production as well as carbon exchange. In this paper, we applied the model-data fusion analysis to the two datasets on paddy rice field sites in Japan: only a single rice cultivation, and a single rice and wheat cultivation. We focused on the parameters related to crop production as well as soil carbon storage. As a result, the calibrated model with estimated parameters could accurately predict the NEE flux in the subsequent years (Fig.1). The temperature sensitivity, Q10s in the decomposition rate of soil organic carbon (SOC) were obtained as 1.4 for no cultivation period and 2.9 for cultivation period (submerged soil condition).

Empirical Correction for Differences in Chemical Exchange Rates in Hydrogen Exchange-Mass Spectrometry Measurements.

PubMed

Toth, Ronald T; Mills, Brittney J; Joshi, Sangeeta B; Esfandiary, Reza; Bishop, Steven M; Middaugh, C Russell; Volkin, David B; Weis, David D

2017-09-05

A barrier to the use of hydrogen exchange-mass spectrometry (HX-MS) in many contexts, especially analytical characterization of various protein therapeutic candidates, is that differences in temperature, pH, ionic strength, buffering agent, or other additives can alter chemical exchange rates, making HX data gathered under differing solution conditions difficult to compare. Here, we present data demonstrating that HX chemical exchange rates can be substantially altered not only by the well-established variables of temperature and pH but also by additives including arginine, guanidine, methionine, and thiocyanate. To compensate for these additive effects, we have developed an empirical method to correct the hydrogen-exchange data for these differences. First, differences in chemical exchange rates are measured by use of an unstructured reporter peptide, YPI. An empirical chemical exchange correction factor, determined by use of the HX data from the reporter peptide, is then applied to the HX measurements obtained from a protein of interest under different solution conditions. We demonstrate that the correction is experimentally sound through simulation and in a proof-of-concept experiment using unstructured peptides under slow-exchange conditions (pD 4.5 at ambient temperature). To illustrate its utility, we applied the correction to HX-MS excipient screening data collected for a pharmaceutically relevant IgG4 mAb being characterized to determine the effects of different formulations on backbone dynamics.

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An efficient strategy for producing a stable, replaceable, highly efficient transgene expression system in silkworm, Bombyx mori

PubMed Central

Long, Dingpei; Lu, Weijian; Zhang, Yuli; Bi, Lihui; Xiang, Zhonghuai; Zhao, Aichun

2015-01-01

We developed an efficient strategy that combines a method for the post-integration elimination of all transposon sequences, a site-specific recombination system, and an optimized fibroin H-chain expression system to produce a stable, replaceable, highly efficient transgene expression system in the silkworm (Bombyx mori) that overcomes the disadvantages of random insertion and post-integration instability of transposons. Here, we generated four different transgenic silkworm strains, and of one the transgenic strains, designated TS1-RgG2, with up to 16% (w/w) of the target protein in the cocoons, was selected. The subsequent elimination of all the transposon sequences from TS1-RgG2 was completed by the heat-shock-induced expression of the transposase in vivo. The resulting transgenic silkworm strain was designated TS3-g2 and contained only the attP-flanked optimized fibroin H-chain expression cassette in its genome. A phiC31/att-system-based recombinase-mediated cassette exchange (RMCE) method could be used to integrate other genes of interest into the same genome locus between the attP sites in TS3-g2. Controlling for position effects with phiC31-mediated RMCE will also allow the optimization of exogenous protein expression and fine gene function analyses in the silkworm. The strategy developed here is also applicable to other lepidopteran insects, to improve the ecological safety of transgenic strains in biocontrol programs. PMID:25739894

Spontaneous Effort During Mechanical Ventilation: Maximal Injury With Less Positive End-Expiratory Pressure.

PubMed

Yoshida, Takeshi; Roldan, Rollin; Beraldo, Marcelo A; Torsani, Vinicius; Gomes, Susimeire; De Santis, Roberta R; Costa, Eduardo L V; Tucci, Mauro R; Lima, Raul G; Kavanagh, Brian P; Amato, Marcelo B P

2016-08-01

We recently described how spontaneous effort during mechanical ventilation can cause "pendelluft," that is, displacement of gas from nondependent (more recruited) lung to dependent (less recruited) lung during early inspiration. Such transfer depends on the coexistence of more recruited (source) liquid-like lung regions together with less recruited (target) solid-like lung regions. Pendelluft may improve gas exchange, but because of tidal recruitment, it may also contribute to injury. We hypothesize that higher positive end-expiratory pressure levels decrease the propensity to pendelluft and that with lower positive end-expiratory pressure levels, pendelluft is associated with improved gas exchange but increased tidal recruitment. Crossover design. University animal research laboratory. Anesthetized landrace pigs. Surfactant depletion was achieved by saline lavage in anesthetized pigs, and ventilator-induced lung injury was produced by ventilation with high tidal volume and low positive end-expiratory pressure. Ventilation was continued in each of four conditions: positive end-expiratory pressure (low or optimized positive end-expiratory pressure after recruitment) and spontaneous breathing (present or absent). Tidal recruitment was assessed using dynamic CT and regional ventilation/perfusion using electric impedance tomography. Esophageal pressure was measured using an esophageal balloon manometer. Among the four conditions, spontaneous breathing at low positive end-expiratory pressure not only caused the largest degree of pendelluft, which was associated with improved ventilation/perfusion matching and oxygenation, but also generated the greatest tidal recruitment. At low positive end-expiratory pressure, paralysis worsened oxygenation but reduced tidal recruitment. Optimized positive end-expiratory pressure decreased the magnitude of spontaneous efforts (measured by esophageal pressure) despite using less sedation, from -5.6 ± 1.3 to -2.0 ± 0.7 cm H2O, while concomitantly reducing pendelluft and tidal recruitment. No pendelluft was observed in the absence of spontaneous effort. Spontaneous effort at low positive end-expiratory pressure improved oxygenation but promoted tidal recruitment associated with pendelluft. Optimized positive end-expiratory pressure (set after lung recruitment) may reverse the harmful effects of spontaneous breathing by reducing inspiratory effort, pendelluft, and tidal recruitment.

Maximizing T2-exchange in Dy3+DOTA-(amide)X chelates: Fine-tuning the water molecule exchange rate for enhanced T2 contrast in MRI

PubMed Central

Soesbe, Todd C.; Ratnakar, S. James; Milne, Mark; Zhang, Shanrong; Do, Quyen N.; Kovacs, Zoltan; Sherry, A. Dean

2014-01-01

Purpose The water molecule exchange rates in a series of DyDOTA-(amide)X chelates were fine-tuned to maximize the effects of T2-exchange line broadening and improve T2 contrast. Methods Four DyDOTA-(amide)X chelates having a variable number of glycinate side-arms were prepared and characterized as T2-exchange agents. The non-exchanging DyTETA chelate was also used to measure the bulk water T2 reduction due solely to T2*. The total transverse relaxivity (r2tot) at 22, 37, and 52 °C for each chelate was measured in vitro at 9.4 T (400 MHz) by fitting plots of total T2−1 versus concentration. The water molecule exchange rates for each complex were measured by fitting 17O line-width versus temperature data taken at 9.4 T (54.3 MHz). Results The measured transverse relaxivities due to water molecule exchange (r2ex) and bound water lifetimes (τM) were in excellent agreement with Swift-Connick theory, with DyDOTA-(gly)3 giving the largest r2ex = 11.8 s−1 mM−1 at 37 °C. Conclusion By fine-tuning the water molecule exchange rate at 37 °C, the transverse relaxivity has been increased by 2 to 30 times compared to previously studied Dy3+-based chelates. Polymerization or dendrimerization of the optimal chelate could yield a highly sensitive, molecule-sized T2 contrast agent for improved molecular imaging applications. PMID:24390729

Reduced impact logging minimally alters tropical rainforest carbon and energy exchange.

PubMed

Miller, Scott D; Goulden, Michael L; Hutyra, Lucy R; Keller, Michael; Saleska, Scott R; Wofsy, Steven C; Figueira, Adelaine Michela Silva; da Rocha, Humberto R; de Camargo, Plinio B

2011-11-29

We used eddy covariance and ecological measurements to investigate the effects of reduced impact logging (RIL) on an old-growth Amazonian forest. Logging caused small decreases in gross primary production, leaf production, and latent heat flux, which were roughly proportional to canopy loss, and increases in heterotrophic respiration, tree mortality, and wood production. The net effect of RIL was transient, and treatment effects were barely discernable after only 1 y. RIL appears to provide a strategy for managing tropical forest that minimizes the potential risks to climate associated with large changes in carbon and water exchange.

Reduced impact logging minimally alters tropical rainforest carbon and energy exchange

PubMed Central

Miller, Scott D.; Goulden, Michael L.; Hutyra, Lucy R.; Keller, Michael; Saleska, Scott R.; Wofsy, Steven C.; Figueira, Adelaine Michela Silva; da Rocha, Humberto R.; de Camargo, Plinio B.

2011-01-01

We used eddy covariance and ecological measurements to investigate the effects of reduced impact logging (RIL) on an old-growth Amazonian forest. Logging caused small decreases in gross primary production, leaf production, and latent heat flux, which were roughly proportional to canopy loss, and increases in heterotrophic respiration, tree mortality, and wood production. The net effect of RIL was transient, and treatment effects were barely discernable after only 1 y. RIL appears to provide a strategy for managing tropical forest that minimizes the potential risks to climate associated with large changes in carbon and water exchange. PMID:22087005

Concerted hydrogen atom exchange between three HF molecules

NASA Technical Reports Server (NTRS)

Komornicki, Andrew; Dixon, David A.; Taylor, Peter R.

1992-01-01

We have investigated the termolecular reaction involving concerted hydrogen exchange between three HF molecules, with particular emphasis on the effects of correlation at the various stationary points along the reaction. Using an extended basis, we have located the geometries of the stable hydrogen-bonded trimer, which is of C(sub 3h) symmetry, and the transition state for hydrogen exchange, which is of D(sub 3h) symmetry. The energies of the exchange reation were then evaluated at the correlated level, using a large atomic natural orbital basis and correlating all valence electrons. Several correlation treatments were used, namely, configration interaction with single and double excitations, coupled-pair functional, and coupled-cluster methods. We are thus able to measure the effect of accounting for size-extensivity. Zero-point corrections to the correlated level energetics were determined using analytic second derivative techniques at the SCF level. Our best calculations, which include the effects of connected triple excitations in the coupled-cluster procedure, indicate that the trimer is bound by 9 +/- 1 kcal/mol relative to three separate monomers, in excellent agreement with previous estimates. The barrier to concerted hydrogen exchange is 15 kcal/mol above the trimer, or only 4.7 kcal/mol above three separated monomers. Thus the barrier to hydrogen exchange between HF molecules via this termolecular process is very low.

Projector Augmented Wave formulation of orbital-dependent exchange-correlation functionals

NASA Astrophysics Data System (ADS)

Xu, Xiao; Holzwarth, N. A. W.

2012-02-01

The use of orbital-dependent exchange-correlation functionals within electronic structure calculations has recently received renewed attention for improving the accuracy of the calculations, especially correcting self-interaction errors. Since the Projector Augmented Wave (PAW) methodootnotetext P. Bl"ochl, Phys. Rev. B 50, 17953 (1994). is an efficient pseudopotential-like scheme which ensures accurate evaluation of all multipole moments of direct and exchange Coulomb integrals, it is a natural choice for implementing orbital-dependent formalisms. Using Fock exchange as an example of an orbital-dependent functional, we developed the formulation and numerical implementation of the approximate optimized effective potential formalism of Kreiger, Li, and Iafrate (KLI)ootnotetext J. B. Krieger, Y. Li, and G. J. Iafrate Phys. Rev. A 45, 101 (1992). within the PAW method, comparing results with the analogous Hartree-Fock treatment.ootnotetext Xiao Xu and N. A. W. Holzwarth, Phys. Rev. B 81, 245105 (2010); 84, 155113 (2011). Test results are presented for ground state properties of two well-known materials -- diamond and LiF. This formalism can be extended to treat orbital-dependent functionals more generally.

78 FR 14380 - Self-Regulatory Organizations; EDGX Exchange, Inc.; Notice of Filing and Immediate Effectiveness...

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2013-03-05

... original price at which it was posted to the EDGX Book. Example 1: EDGX Only/Post Only Order is entered.... Example 2: Price Band Moves Higher Than EDGX Only/Post Only Buy Order on the EDGX Book Assume the same... Price Band and a short sale price test restriction under Rule 201 of Regulation SHO (``short sale price...

Quantification of asymmetric lung pathophysiology as a guide to the use of simultaneous independent lung ventilation in posttraumatic and septic adult respiratory distress syndrome.

PubMed Central

Siegel, J H; Stoklosa, J C; Borg, U; Wiles, C E; Sganga, G; Geisler, F H; Belzberg, H; Wedel, S; Blevins, S; Goh, K C

1985-01-01

The management of impaired respiratory gas exchange in patients with nonuniform posttraumatic and septic adult respiratory distress syndrome (ARDS) contains its own therapeutic paradox, since the need for volume-controlled ventilation and PEEP in the lung with the most reduced compliance increases pulmonary barotrauma to the better lung. A computer-based system has been developed by which respiratory pressure-flow-volume relations and gas exchange characteristics can be obtained and respiratory dynamic and static compliance curves computed and displayed for each lung, as a means of evaluating the effectiveness of ventilation therapy in ARDS. Using these techniques, eight patients with asymmetrical posttraumatic or septic ARDS, or both, have been managed using simultaneous independent lung ventilation (SILV). The computer assessment technique allows quantification of the nonuniform ARDS pattern between the two lungs. This enabled SILV to be utilized using two synchronized servo-ventilators at different pressure-flow-volumes, inspiratory/expiratory ratios, and PEEP settings to optimize the ventilatory volumes and gas exchange of each lung, without inducing excess barotrauma in the better lung. In the patients with nonuniform ARDS, conventional ventilation was not effective in reducing shunt (QS/QT) or in permitting a lower FIO2 to be used for maintenance of an acceptable PaO2. SILV reduced per cent v-a shunt and permitted a higher PaO2 at lower FIO2. Also, there was x-ray evidence of ARDS improvement in the poorer lung. While the ultimate outcome was largely dependent on the patient's injury and the adequacy of the septic host defense, by utilizing the SILV technique to match the quantitative aspects of respiratory dysfunction in each lung at specific times in the clinical course, it was possible to optimize gas exchange, to reduce barotrauma, and often to reverse apparently fixed ARDS changes. In some instances, this type of physiologically directed ventilatory therapy appeared to contribute to a successful recovery. Images FIG. 10. PMID:3901940

Study of self-compliance behaviors and internal filament characteristics in intrinsic SiO{sub x}-based resistive switching memory

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

Chang, Yao-Feng, E-mail: yfchang@utexas.edu; Zhou, Fei; Chen, Ying-Chen

2016-01-18

Self-compliance characteristics and reliability optimization are investigated in intrinsic unipolar silicon oxide (SiO{sub x})-based resistive switching (RS) memory using TiW/SiO{sub x}/TiW device structures. The program window (difference between SET voltage and RESET voltage) is dependent on external series resistance, demonstrating that the SET process is due to a voltage-triggered mechanism. The program window has been optimized for program/erase disturbance immunity and reliability for circuit-level applications. The SET and RESET transitions have also been characterized using a dynamic conductivity method, which distinguishes the self-compliance behavior due to an internal series resistance effect (filament) in SiO{sub x}-based RS memory. By using amore » conceptual “filament/resistive gap (GAP)” model of the conductive filament and a proton exchange model with appropriate assumptions, the internal filament resistance and GAP resistance can be estimated for high- and low-resistance states (HRS and LRS), and are found to be independent of external series resistance. Our experimental results not only provide insights into potential reliability issues but also help to clarify the switching mechanisms and device operating characteristics of SiO{sub x}-based RS memory.« less

Allometric scaling law in a simple oxygen exchanging network: possible implications on the biological allometric scaling laws.

PubMed

Santillán, Moisés

2003-07-21

A simple model of an oxygen exchanging network is presented and studied. This network's task is to transfer a given oxygen rate from a source to an oxygen consuming system. It consists of a pipeline, that interconnects the oxygen consuming system and the reservoir and of a fluid, the active oxygen transporting element, moving through the pipeline. The network optimal design (total pipeline surface) and dynamics (volumetric flow of the oxygen transporting fluid), which minimize the energy rate expended in moving the fluid, are calculated in terms of the oxygen exchange rate, the pipeline length, and the pipeline cross-section. After the oxygen exchanging network is optimized, the energy converting system is shown to satisfy a 3/4-like allometric scaling law, based upon the assumption that its performance regime is scale invariant as well as on some feasible geometric scaling assumptions. Finally, the possible implications of this result on the allometric scaling properties observed elsewhere in living beings are discussed.

Non-Markovianity in the optimal control of an open quantum system described by hierarchical equations of motion

NASA Astrophysics Data System (ADS)

Mangaud, E.; Puthumpally-Joseph, R.; Sugny, D.; Meier, C.; Atabek, O.; Desouter-Lecomte, M.

2018-04-01

Optimal control theory is implemented with fully converged hierarchical equations of motion (HEOM) describing the time evolution of an open system density matrix strongly coupled to the bath in a spin-boson model. The populations of the two-level sub-system are taken as control objectives; namely, their revivals or exchange when switching off the field. We, in parallel, analyze how the optimal electric field consequently modifies the information back flow from the environment through different non-Markovian witnesses. Although the control field has a dipole interaction with the central sub-system only, its indirect influence on the bath collective mode dynamics is probed through HEOM auxiliary matrices, revealing a strong correlation between control and dissipation during a non-Markovian process. A heterojunction is taken as an illustrative example for modeling in a realistic way the two-level sub-system parameters and its spectral density function leading to a non-perturbative strong coupling regime with the bath. Although, due to strong system-bath couplings, control performances remain rather modest, the most important result is a noticeable increase of the non-Markovian bath response induced by the optimally driven processes.

Synthesis and Process Optimization of Electrospun PEEK-Sulfonated Nanofibers by Response Surface Methodology

PubMed Central

Boaretti, Carlo; Roso, Martina; Lorenzetti, Alessandra; Modesti, Michele

2015-01-01

In this study electrospun nanofibers of partially sulfonated polyether ether ketone have been produced as a preliminary step for a possible development of composite proton exchange membranes for fuel cells. Response surface methodology has been employed for the modelling and optimization of the electrospinning process, using a Box-Behnken design. The investigation, based on a second order polynomial model, has been focused on the analysis of the effect of both process (voltage, tip-to-collector distance, flow rate) and material (sulfonation degree) variables on the mean fiber diameter. The final model has been verified by a series of statistical tests on the residuals and validated by a comparison procedure of samples at different sulfonation degrees, realized according to optimized conditions, for the production of homogeneous thin nanofibers. PMID:28793427

Synthesis and Process Optimization of Electrospun PEEK-Sulfonated Nanofibers by Response Surface Methodology.

PubMed

Boaretti, Carlo; Roso, Martina; Lorenzetti, Alessandra; Modesti, Michele

2015-07-07

In this study electrospun nanofibers of partially sulfonated polyether ether ketone have been produced as a preliminary step for a possible development of composite proton exchange membranes for fuel cells. Response surface methodology has been employed for the modelling and optimization of the electrospinning process, using a Box-Behnken design. The investigation, based on a second order polynomial model, has been focused on the analysis of the effect of both process (voltage, tip-to-collector distance, flow rate) and material (sulfonation degree) variables on the mean fiber diameter. The final model has been verified by a series of statistical tests on the residuals and validated by a comparison procedure of samples at different sulfonation degrees, realized according to optimized conditions, for the production of homogeneous thin nanofibers.

Valence electronic structure of cobalt phthalocyanine from an optimally tuned range-separated hybrid functional.

PubMed

Brumboiu, Iulia Emilia; Prokopiou, Georgia; Kronik, Leeor; Brena, Barbara

2017-07-28

We analyse the valence electronic structure of cobalt phthalocyanine (CoPc) by means of optimally tuning a range-separated hybrid functional. The tuning is performed by modifying both the amount of short-range exact exchange (α) included in the hybrid functional and the range-separation parameter (γ), with two strategies employed for finding the optimal γ for each α. The influence of these two parameters on the structural, electronic, and magnetic properties of CoPc is thoroughly investigated. The electronic structure is found to be very sensitive to the amount and range in which the exact exchange is included. The electronic structure obtained using the optimal parameters is compared to gas-phase photo-electron data and GW calculations, with the unoccupied states additionally compared with inverse photo-electron spectroscopy measurements. The calculated spectrum with tuned γ, determined for the optimal value of α = 0.1, yields a very good agreement with both experimental results and with GW calculations that well-reproduce the experimental data.

Optimal Deployment of Sensor Nodes Based on Performance Surface of Underwater Acoustic Communication

PubMed Central

Choi, Jee Woong

2017-01-01

The underwater acoustic sensor network (UWASN) is a system that exchanges data between numerous sensor nodes deployed in the sea. The UWASN uses an underwater acoustic communication technique to exchange data. Therefore, it is important to design a robust system that will function even in severely fluctuating underwater communication conditions, along with variations in the ocean environment. In this paper, a new algorithm to find the optimal deployment positions of underwater sensor nodes is proposed. The algorithm uses the communication performance surface, which is a map showing the underwater acoustic communication performance of a targeted area. A virtual force-particle swarm optimization algorithm is then used as an optimization technique to find the optimal deployment positions of the sensor nodes, using the performance surface information to estimate the communication radii of the sensor nodes in each generation. The algorithm is evaluated by comparing simulation results between two different seasons (summer and winter) for an area located off the eastern coast of Korea as the selected targeted area. PMID:29053569

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2013-09-17

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Optimization of an exchange-correlation density functional for water

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

Fritz, Michelle; Fernández-Serra, Marivi; Institute for Advanced Computational Science, Stony Brook University, Stony Brook, New York 11794-3800

2016-06-14

We describe a method, that we call data projection onto parameter space (DPPS), to optimize an energy functional of the electron density, so that it reproduces a dataset of experimental magnitudes. Our scheme, based on Bayes theorem, constrains the optimized functional not to depart unphysically from existing ab initio functionals. The resulting functional maximizes the probability of being the “correct” parameterization of a given functional form, in the sense of Bayes theory. The application of DPPS to water sheds new light on why density functional theory has performed rather poorly for liquid water, on what improvements are needed, and onmore » the intrinsic limitations of the generalized gradient approximation to electron exchange and correlation. Finally, we present tests of our water-optimized functional, that we call vdW-DF-w, showing that it performs very well for a variety of condensed water systems.« less

Accelerated production of antigen-specific T-cells for pre-clinical and clinical applications using Gas-permeable Rapid Expansion cultureware (G-Rex)

PubMed Central

Vera, Juan F.; Brenner, Lara J.; Gerdemann, Ulrike; Ngo, Minhtran C.; Sili, Uluhan; Liu, Hao; Wilson, John; Dotti, Gianpietro; Heslop, Helen E.; Leen, Ann M.; Rooney, Cliona M.

2009-01-01

The clinical manufacture of antigen-specific cytotoxic T lymphocytes (CTL) for adoptive immunotherapy is limited by the complexity and time required to produce large numbers with the desired function and specificity. The culture conditions required are rigorous, and in some cases only achieved in 2cm2 wells in which cell growth is limited by gas exchange, nutrients and waste accumulation. Bioreactors developed to overcome these issues tend to be complex, expensive and not always conducive to CTL growth. We observed that antigen-specific CTL undergo seven to ten divisions post-stimulation. However the expected CTL numbers were achieved only in the first week of culture. By recreating the culture conditions present during this first week - low frequency of antigen-specific T-cells and high frequency of feeder cells - we were able to increase CTL expansion to expected levels which could be sustained for several weeks without affecting phenotype or function. However, the number of 24-well plates needed was excessive and cultures required frequent media changes, increasing complexity and manufacturing costs. Therefore, we evaluated novel gas-permeable culture devices (G-Rex) with a silicone membrane at the base allowing gas exchange to occur uninhibited by depth of medium above. This system effectively supports the expansion of CTL and actually increases output by up to 20-fold while decreasing required technician time. Importantly, this amplified cell expansion is not due to more cell divisions but to reduced cell death. This bioprocess optimization increased T-cell output while decreasing the complexity and cost of CTL manufacture, making cell therapy more accessible. PMID:20445351

45 CFR 155.100 - Establishment of a State Exchange.

Code of Federal Regulations, 2013 CFR

2013-10-01

... SHOP; or (2) An Exchange that provides only for the establishment of a SHOP. (b) Timing. For plan years... a position to establish and operate only a SHOP for 2014 may elect to establish an Exchange that provides only for the establishment of a SHOP, pursuant to the process in § 155.105(c), (d), and/or (e...

45 CFR 155.100 - Establishment of a State Exchange.

Code of Federal Regulations, 2014 CFR

2014-10-01

... SHOP; or (2) An Exchange that provides only for the establishment of a SHOP. (b) Timing. For plan years... a position to establish and operate only a SHOP for 2014 may elect to establish an Exchange that provides only for the establishment of a SHOP, pursuant to the process in § 155.105(c), (d), and/or (e...

Differential effects of biochar on soils within an eroded field

NASA Astrophysics Data System (ADS)

Schumacher, Thomas; Chintala, Rajesh; Sandhu, Saroop; Kumar, Sandeep; Clay, Dave; Gelderman, Ron; Papiernik, Sharon; Malo, Douglas; Clay, Sharon; Julson, Jim

2015-04-01

Future uses of biochar will in part be dependent not only on the effects of biochar on soil processes but also on the availability and economics of biochar production. If pyrolysis for production of bio-oil and syngas becomes wide-spread, biochar as a by-product of bio-oil production will be widely available and relatively inexpensive compared to the production of biochar as primary product. Biochar produced as a by-product of optimized bio-oil production using regionally available feedstocks was examined for properties and for use as an amendment targeted to contrasting soils within an eroded field in an on-farm study initiated in 2013 at Brookings, South Dakota, USA. Three plant based biochar materials produced from carbon optimized gasification of corn stover (Zea mays L.), Ponderosa pine (Pinus ponderosa Lawson and C. Lawson) wood residue, and switchgrass (Panicum virgatum L.) were applied at a 1% (w/w) rate to a Maddock soil (Sandy, Mixed, Frigid Entic Hapludolls) located in an eroded upper landscape position and a Brookings soil (Fine-Silty, Mixed, Superactive, Frigid Pachic Hapludolls) located in a depositional landscape position. The cropping system within this agricultural landscape was a corn (Zea mays L.) and soybean (Glycine max L.) rotation. Biochar physical and chemical properties for each of the feedstocks were determined including pH, surface area, surface charge potential, C-distribution, ash content, macro and micro nutrient composition. Yields, nutrient content, and carbon isotope ratio measurements were made on the harvested seed. Soil physical properties measured included water retention, bulk density, and water infiltration from a ponded double ring infiltrometer. Laboratory studies were conducted to determine the effects of biochar on partitioning of nitrate and phosphorus at soil surface exchange complex and the extracellular enzymes activity of C and N cycles. Crop yields were increased only in the Maddock soil. Biochar interacted with each soil type to alter physical and chemical properties. However the pattern of interaction depended on soil and biochar type.

Formal expressions and corresponding expansions for the exact Kohn-Sham exchange potential

NASA Astrophysics Data System (ADS)

Bulat, Felipe A.; Levy, Mel

2009-11-01

Formal expressions and their corresponding expansions in terms of Kohn-Sham (KS) orbitals are deduced for the exchange potential vx(r) . After an alternative derivation of the basic optimized effective potential integrodifferential equations is given through a Hartree-Fock adiabatic connection perturbation theory, we present an exact infinite expansion for vx(r) that is particularly simple in structure. It contains the very same occupied-virtual quantities that appear in the well-known optimized effective potential integral equation, but in this new expression vx(r) is isolated on one side of the equation. An orbital-energy modified Slater potential is its leading term which gives encouraging numerical results. Along different lines, while the earlier Krieger-Li-Iafrate approximation truncates completely the necessary first-order perturbation orbitals, we observe that the improved localized Hartree-Fock (LHF) potential, or common energy denominator potential (CEDA), or effective local potential (ELP), incorporates the part of each first-order orbital that consists of the occupied KS orbitals. With this in mind, the exact correction to the LHF, CEDA, or ELP potential (they are all equivalent) is deduced and displayed in terms of the virtual portions of the first-order orbitals. We close by observing that the newly derived exact formal expressions and corresponding expansions apply as well for obtaining the correlation potential from an orbital-dependent correlation energy functional.

Semiconducting organic-inorganic nanocomposites by intimately tethering conjugated polymers to inorganic tetrapods

NASA Astrophysics Data System (ADS)

Jung, Jaehan; Yoon, Young Jun; Lin, Zhiqun

2016-04-01

Semiconducting organic-inorganic nanocomposites were judiciously crafted by placing conjugated polymers in intimate contact with inorganic tetrapods via click reaction. CdSe tetrapods were first synthesized by inducing elongated arms from CdSe zincblende seeds through seed-mediated growth. The subsequent effective inorganic ligand treatment, followed by reacting with short bifunctional ligands, yielded azide-functionalized CdSe tetrapods (i.e., CdSe-N3). Finally, the ethynyl-terminated conjugated polymer poly(3-hexylthiophene) (i.e., P3HT-&z.tbd;) was tethered to CdSe-N3 tetrapods via a catalyst-free alkyne-azide cycloaddition, forming intimate semiconducting P3HT-CdSe tetrapod nanocomposites. Intriguingly, the intimate contact between P3HT and CdSe tetrapod was found to not only render the effective dispersion of CdSe tetrapods in the P3HT matrix, but also facilitate the efficient electronic interaction between these two semiconducting constituents. The successful anchoring of P3HT chains onto CdSe tetrapods was substantiated through Fourier transform infrared spectroscopy and nuclear magnetic resonance spectroscopy measurements. Moreover, the absorption and photoluminescence studies further corroborated the intimate tethering between P3HT and CdSe tetrapods. The effect of the type of bifunctional ligands (i.e., aryl vs. aliphatic ligands) and the size of tetrapods on the device performance of hybrid organic-inorganic solar cells was also scrutinized. Interestingly, P3HT-CdSe tetrapod nanocomposites produced via the use of an aryl bifunctional ligand (i.e., 4-azidobenzoic acid) exhibited an improved photovoltaic performance compared to that synthesized with their aliphatic ligand counterpart (i.e., 5-bromovaleric acid). Clearly, the optimal size of CdSe tetrapods ensuring the effective charge transport in conjunction with the good dispersion of CdSe tetrapods rendered an improved device performance. We envision that the click-reaction strategy enabled by capitalizing on two consecutive effective ligand exchanges (i.e., inorganic ligand treatment and subsequent bifunctional ligand exchange) to yield intimately connected organic-inorganic nanocomposites provides a unique platform for developing functional optoelectronic devices.Semiconducting organic-inorganic nanocomposites were judiciously crafted by placing conjugated polymers in intimate contact with inorganic tetrapods via click reaction. CdSe tetrapods were first synthesized by inducing elongated arms from CdSe zincblende seeds through seed-mediated growth. The subsequent effective inorganic ligand treatment, followed by reacting with short bifunctional ligands, yielded azide-functionalized CdSe tetrapods (i.e., CdSe-N3). Finally, the ethynyl-terminated conjugated polymer poly(3-hexylthiophene) (i.e., P3HT-&z.tbd;) was tethered to CdSe-N3 tetrapods via a catalyst-free alkyne-azide cycloaddition, forming intimate semiconducting P3HT-CdSe tetrapod nanocomposites. Intriguingly, the intimate contact between P3HT and CdSe tetrapod was found to not only render the effective dispersion of CdSe tetrapods in the P3HT matrix, but also facilitate the efficient electronic interaction between these two semiconducting constituents. The successful anchoring of P3HT chains onto CdSe tetrapods was substantiated through Fourier transform infrared spectroscopy and nuclear magnetic resonance spectroscopy measurements. Moreover, the absorption and photoluminescence studies further corroborated the intimate tethering between P3HT and CdSe tetrapods. The effect of the type of bifunctional ligands (i.e., aryl vs. aliphatic ligands) and the size of tetrapods on the device performance of hybrid organic-inorganic solar cells was also scrutinized. Interestingly, P3HT-CdSe tetrapod nanocomposites produced via the use of an aryl bifunctional ligand (i.e., 4-azidobenzoic acid) exhibited an improved photovoltaic performance compared to that synthesized with their aliphatic ligand counterpart (i.e., 5-bromovaleric acid). Clearly, the optimal size of CdSe tetrapods ensuring the effective charge transport in conjunction with the good dispersion of CdSe tetrapods rendered an improved device performance. We envision that the click-reaction strategy enabled by capitalizing on two consecutive effective ligand exchanges (i.e., inorganic ligand treatment and subsequent bifunctional ligand exchange) to yield intimately connected organic-inorganic nanocomposites provides a unique platform for developing functional optoelectronic devices. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr00269b

Generalized ensemble method applied to study systems with strong first order transitions

DOE PAGES

Malolepsza, E.; Kim, J.; Keyes, T.

2015-09-28

At strong first-order phase transitions, the entropy versus energy or, at constant pressure, enthalpy, exhibits convex behavior, and the statistical temperature curve correspondingly exhibits an S-loop or back-bending. In the canonical and isothermal-isobaric ensembles, with temperature as the control variable, the probability density functions become bimodal with peaks localized outside of the S-loop region. Inside, states are unstable, and as a result simulation of equilibrium phase coexistence becomes impossible. To overcome this problem, a method was proposed by Kim, Keyes and Straub, where optimally designed generalized ensemble sampling was combined with replica exchange, and denoted generalized replica exchange method (gREM).more » This new technique uses parametrized effective sampling weights that lead to a unimodal energy distribution, transforming unstable states into stable ones. In the present study, the gREM, originally developed as a Monte Carlo algorithm, was implemented to work with molecular dynamics in an isobaric ensemble and coded into LAMMPS, a highly optimized open source molecular simulation package. Lastly, the method is illustrated in a study of the very strong solid/liquid transition in water.« less

Design and Validation of In-Source Atmospheric Pressure Photoionization Hydrogen/Deuterium Exchange Mass Spectrometry with Continuous Feeding of D2O.

PubMed

Acter, Thamina; Lee, Seulgidaun; Cho, Eunji; Jung, Maeng-Joon; Kim, Sunghwan

2018-01-01

In this study, continuous in-source hydrogen/deuterium exchange (HDX) atmospheric pressure photoionization (APPI) mass spectrometry (MS) with continuous feeding of D 2 O was developed and validated. D 2 O was continuously fed using a capillary line placed on the center of a metal plate positioned between the UV lamp and nebulizer. The proposed system overcomes the limitations of previously reported APPI HDX-MS approaches where deuterated solvents were premixed with sample solutions before ionization. This is particularly important for APPI because solvent composition can greatly influence ionization efficiency as well as the solubility of analytes. The experimental parameters for APPI HDX-MS with continuous feeding of D 2 O were optimized, and the optimized conditions were applied for the analysis of nitrogen-, oxygen-, and sulfur-containing compounds. The developed method was also applied for the analysis of the polar fraction of a petroleum sample. Thus, the data presented in this study clearly show that the proposed HDX approach can serve as an effective analytical tool for the structural analysis of complex mixtures. Graphical abstract ᅟ.

Generalized ensemble method applied to study systems with strong first order transitions

NASA Astrophysics Data System (ADS)

Małolepsza, E.; Kim, J.; Keyes, T.

2015-09-01

At strong first-order phase transitions, the entropy versus energy or, at constant pressure, enthalpy, exhibits convex behavior, and the statistical temperature curve correspondingly exhibits an S-loop or back-bending. In the canonical and isothermal-isobaric ensembles, with temperature as the control variable, the probability density functions become bimodal with peaks localized outside of the S-loop region. Inside, states are unstable, and as a result simulation of equilibrium phase coexistence becomes impossible. To overcome this problem, a method was proposed by Kim, Keyes and Straub [1], where optimally designed generalized ensemble sampling was combined with replica exchange, and denoted generalized replica exchange method (gREM). This new technique uses parametrized effective sampling weights that lead to a unimodal energy distribution, transforming unstable states into stable ones. In the present study, the gREM, originally developed as a Monte Carlo algorithm, was implemented to work with molecular dynamics in an isobaric ensemble and coded into LAMMPS, a highly optimized open source molecular simulation package. The method is illustrated in a study of the very strong solid/liquid transition in water.

Analysis of the control structures for an integrated ethanol processor for proton exchange membrane fuel cell systems

NASA Astrophysics Data System (ADS)

Biset, S.; Nieto Deglioumini, L.; Basualdo, M.; Garcia, V. M.; Serra, M.

The aim of this work is to investigate which would be a good preliminary plantwide control structure for the process of Hydrogen production from bioethanol to be used in a proton exchange membrane (PEM) accounting only steady-state information. The objective is to keep the process under optimal operation point, that is doing energy integration to achieve the maximum efficiency. Ethanol, produced from renewable feedstocks, feeds a fuel processor investigated for steam reforming, followed by high- and low-temperature shift reactors and preferential oxidation, which are coupled to a polymeric fuel cell. Applying steady-state simulation techniques and using thermodynamic models the performance of the complete system with two different control structures have been evaluated for the most typical perturbations. A sensitivity analysis for the key process variables together with the rigorous operability requirements for the fuel cell are taking into account for defining acceptable plantwide control structure. This is the first work showing an alternative control structure applied to this kind of process.

Ventilation and gas exchange management after cardiac arrest.

PubMed

Sutherasan, Yuda; Raimondo, Pasquale; Pelosi, Paolo

2015-12-01

For several decades, physicians had integrated several interventions aiming to improve the outcomes in post-cardiac arrest patients. However, the mortality rate after cardiac arrest is still as high as 50%. Post-cardiac arrest syndrome is associated with high morbidity and mortality due to not only poor neurological outcome and cardiovascular failure but also respiratory dysfunction. To minimize ventilator-associated lung injury, protective mechanical ventilation by using low tidal volume ventilation and driving pressure may decrease pulmonary complications and improve survival. Low level of positive end-expiratory pressure (PEEP) can be initiated and titrated with careful cardiac output and respiratory mechanics monitoring. Furthermore, optimizing gas exchange by avoiding hypoxia and hyperoxia as well as maintaining normocarbia may improve neurological and survival outcome. Early multidisciplinary cardiac rehabilitation intervention is recommended. Minimally invasive monitoring techniques, that is, echocardiography, transpulmonary thermodilution method measuring extravascular lung water, as well as transcranial Doppler ultrasound, might be useful to improve appropriate management of post-cardiac arrest patients. Copyright © 2015 Elsevier Ltd. All rights reserved.

Optimizing T Cell Expansion in a Hollow-Fiber Bioreactor.

PubMed

Nankervis, Brian; Jones, Mark; Vang, Boah; Brent Rice, R; Coeshott, Claire; Beltzer, Jim

2018-01-01

Recent developments in regenerative medicine have precipitated the need to expand gene-modified human T cells to numbers that exceed the capacity of well-plate-based, and flask-based processes. This review discusses the changes in process development that are needed to meet the cell expansion requirements by utilizing hollow-fiber bioreactors . Maintenance of cell proliferation over long periods can become limited by unfilled demands for nutrients and oxygen and by the accumulation of waste products in the local environment. Perfusion feeding, improved gas exchange, and the efficient removal of lactate can increase the yield of T cells from an average of 10.8E +09 to more than 28E +09 in only 10 days. Aggressively feeding cells and actively keeping cells in the bioreactor improves gas exchange and metabolite management over semi-static methods. The ability to remove the environmental constraints that can limit cell expansion by using a two-chamber hollow-fiber bioreactor will be discussed.

Optimization of geometric parameters of heat exchange pipes pin finning

NASA Astrophysics Data System (ADS)

Akulov, K. A.; Golik, V. V.; Voronin, K. S.; Zakirzakov, A. G.

2018-05-01

The work is devoted to optimization of geometric parameters of the pin finning of heat-exchanging pipes. Pin fins were considered from the point of view of mechanics of a deformed solid body as overhang beams with a uniformly distributed load. It was found out under what geometric parameters of the nib (diameter and length); the stresses in it from the influence of the washer fluid will not exceed the yield strength of the material (aluminum). Optimal values of the geometric parameters of nibs were obtained for different velocities of the medium washed by them. As a flow medium, water and air were chosen, and the cross section of the nibs was round and square. Pin finning turned out to be more than 3 times more compact than circumferential finning, so its use makes it possible to increase the number of fins per meter of the heat-exchanging pipe. And it is well-known that this is the main method for increasing the heat transfer of a convective surface, giving them an indisputable advantage.

Field optimization method of a dual-axis atomic magnetometer based on frequency-response and dynamics

NASA Astrophysics Data System (ADS)

Xing, Li; Quan, Wei; Fan, Wenfeng; Li, Rujie; Jiang, Liwei; Fang, Jiancheng

2018-05-01

The frequency-response and dynamics of a dual-axis spin-exchange-relaxation-free (SERF) atomic magnetometer are investigated by means of transfer function analysis. The frequency-response at different bias magnetic fields is tested to demonstrate the effect of the residual magnetic field. The resonance frequency of alkali atoms and magnetic linewidth can be obtained simultaneously through our theoretical model. The coefficient of determination of the fitting results is superior to 0.995 with 95% confidence bounds. Additionally, step responses are applied to analyze the dynamics of the control system and the effect of imperfections. Finally, a noise-limited magnetic field resolution of 15 fT {{\\sqrt{Hz}}-1} has been achieved for our dual-axis SERF atomic magnetometer through magnetic field optimization.

Multi-phase models for water and thermal management of proton exchange membrane fuel cell: A review

NASA Astrophysics Data System (ADS)

Zhang, Guobin; Jiao, Kui

2018-07-01

The 3D (three-dimensional) multi-phase CFD (computational fluid dynamics) model is widely utilized in optimizing water and thermal management of PEM (proton exchange membrane) fuel cell. However, a satisfactory 3D multi-phase CFD model which is able to simulate the detailed gas and liquid two-phase flow in channels and reflect its effect on performance precisely is still not developed due to the coupling difficulties and computation amount. Meanwhile, the agglomerate model of CL (catalyst layer) should also be added in 3D CFD model so as to better reflect the concentration loss and optimize CL structure in macroscopic scale. Besides, the effect of thermal management is perhaps underestimated in current 3D multi-phase CFD simulations due to the lack of coolant channel in computation domain and constant temperature boundary condition. Therefore, the 3D CFD simulations in cell and stack levels with convection boundary condition are suggested to simulate the water and thermal management more accurately. Nevertheless, with the rapid development of PEM fuel cell, current 3D CFD simulations are far from practical demand, especially at high current density and low to zero humidity and for the novel designs developed recently, such as: metal foam flow field, 3D fine mesh flow field, anode circulation etc.

Optimization of greenhouse gas emissions in second-hand consumer product recovery through reuse platforms.

PubMed

Fortuna, Lorena M; Diyamandoglu, Vasil

2017-08-01

Product reuse in the solid waste management sector is promoted as one of the key strategies for waste prevention. This practice is considered to have favorable impact on the environment, but its benefits have yet to be established. Existing research describes the perspective of "avoided production" only, but has failed to examine the interdependent nature of reuse practices within an entire solid waste management system. This study proposes a new framework that uses optimization to minimize the greenhouse gas emissions of an integrated solid waste management system that includes reuse strategies and practices such as reuse enterprises, online platforms, and materials exchanges along with traditional solid waste management practices such as recycling, landfilling, and incineration. The proposed framework uses material flow analysis in combination with an optimization model to provide the best outcome in terms of GHG emissions by redistributing product flows in the integrated solid waste management system to the least impacting routes and processes. The optimization results provide a basis for understanding the contributions of reuse to the environmental benefits of the integrated solid waste management system and the exploration of the effects of reuse activities on waste prevention. A case study involving second-hand clothing is presented to illustrate the implementation of the proposed framework as applied to the material flow. Results of the case study showed the considerable impact of reuse on GHG emissions even for small replacement rates, and helped illustrate the interdependency of the reuse sector with other waste management practices. One major contribution of this study is the development of a framework centered on product reuse that can be applied to identify the best management strategies to reduce the environmental impact of product disposal and to increase recovery of reusable products. Copyright © 2017 Elsevier Ltd. All rights reserved.

Solar tower power plant using a particle-heated steam generator: Modeling and parametric study

NASA Astrophysics Data System (ADS)

Krüger, Michael; Bartsch, Philipp; Pointner, Harald; Zunft, Stefan

2016-05-01

Within the framework of the project HiTExStor II, a system model for the entire power plant consisting of volumetric air receiver, air-sand heat exchanger, sand storage system, steam generator and water-steam cycle was implemented in software "Ebsilon Professional". As a steam generator, the two technologies fluidized bed cooler and moving bed heat exchangers were considered. Physical models for the non-conventional power plant components as air- sand heat exchanger, fluidized bed coolers and moving bed heat exchanger had to be created and implemented in the simulation environment. Using the simulation model for the power plant, the individual components and subassemblies have been designed and the operating parameters were optimized in extensive parametric studies in terms of the essential degrees of freedom. The annual net electricity output for different systems was determined in annual performance calculations at a selected location (Huelva, Spain) using the optimized values for the studied parameters. The solution with moderate regenerative feed water heating has been found the most advantageous. Furthermore, the system with moving bed heat exchanger prevails over the system with fluidized bed cooler due to a 6 % higher net electricity yield.

Intercluster Connection in Cognitive Wireless Mesh Networks Based on Intelligent Network Coding

NASA Astrophysics Data System (ADS)

Chen, Xianfu; Zhao, Zhifeng; Jiang, Tao; Grace, David; Zhang, Honggang

2009-12-01

Cognitive wireless mesh networks have great flexibility to improve spectrum resource utilization, within which secondary users (SUs) can opportunistically access the authorized frequency bands while being complying with the interference constraint as well as the QoS (Quality-of-Service) requirement of primary users (PUs). In this paper, we consider intercluster connection between the neighboring clusters under the framework of cognitive wireless mesh networks. Corresponding to the collocated clusters, data flow which includes the exchanging of control channel messages usually needs four time slots in traditional relaying schemes since all involved nodes operate in half-duplex mode, resulting in significant bandwidth efficiency loss. The situation is even worse at the gateway node connecting the two colocated clusters. A novel scheme based on network coding is proposed in this paper, which needs only two time slots to exchange the same amount of information mentioned above. Our simulation shows that the network coding-based intercluster connection has the advantage of higher bandwidth efficiency compared with the traditional strategy. Furthermore, how to choose an optimal relaying transmission power level at the gateway node in an environment of coexisting primary and secondary users is discussed. We present intelligent approaches based on reinforcement learning to solve the problem. Theoretical analysis and simulation results both show that the intelligent approaches can achieve optimal throughput for the intercluster relaying in the long run.

Purification of organic acids by chromatography with strong anionic resins: Investigation of uptake mechanisms.

PubMed

Lemaire, Julien; Blanc, Claire-Line; Lutin, Florence; Théoleyre, Marc-André; Stambouli, Moncef; Pareau, Dominique

2016-08-05

Bio-based organic acids are promising renewable carbon sources for the chemical industry. However energy-consuming purification processes are used, like distillation or crystallization, to reach high purities required in some applications. That is why preparative chromatography was studied as an alternative separation technique. In a previous work dealing with the purification of lactic, succinic and citric acids, the Langmuir model was insufficient to explain the elution profiles obtained with a strong anionic resin. Consequently the Langmuir model was coupled with a usual ion-exchange model to take into account the retention of their conjugate bases (<2%), which are commonly neglected at low pH (<1.5). Elution simulations with both uptake mechanisms fitted very well with experimental pulse tests. Only two parameters were optimized (equilibrium constant of acid uptake and ion-exchange selectivity coefficient of conjugate base) and their value were coherent with experimental and resin suppliers' data. These results confirmed that the singular tailing and apparent delay observed with succinic and citric acids can be explained by the high affinity of succinate and citrate for resin cationic sites. The model was implemented in a preparative chromatography simulation program in order to optimize operating parameters of our pilot-scale ISMB unit (Improved Simulated Moving Bed). The comparison with experimental ISMB profiles was conclusive. Copyright © 2016 Elsevier B.V. All rights reserved.

A Dynamic Neural Network Approach to CBM

DTIC Science & Technology

2011-03-15

high efficiency water cooled heat exchanger positioned on the side of the engine. The air temperature was controlled at the desired set-point by...regulating the inlet water flow in the heat exchanger. The temperature of the cooling water was not regulated. The typical set-point for the air charge...temperature was 127 degF, as used in other durability tests carried out in these facilities. Because the heat exchanger controller was optimized for

Single-File Escape of Colloidal Particles from Microfluidic Channels

NASA Astrophysics Data System (ADS)

Locatelli, Emanuele; Pierno, Matteo; Baldovin, Fulvio; Orlandini, Enzo; Tan, Yizhou; Pagliara, Stefano

2016-07-01

Single-file diffusion is a ubiquitous physical process exploited by living and synthetic systems to exchange molecules with their environment. It is paramount to quantify the escape time needed for single files of particles to exit from constraining synthetic channels and biological pores. This quantity depends on complex cooperative effects, whose predominance can only be established through a strict comparison between theory and experiments. By using colloidal particles, optical manipulation, microfluidics, digital microscopy, and theoretical analysis we uncover the self-similar character of the escape process and provide closed-formula evaluations of the escape time. We find that the escape time scales inversely with the diffusion coefficient of the last particle to leave the channel. Importantly, we find that at the investigated microscale, bias forces as tiny as 10-15 N determine the magnitude of the escape time by drastically reducing interparticle collisions. Our findings provide crucial guidelines to optimize the design of micro- and nanodevices for a variety of applications including drug delivery, particle filtering, and transport in geometrical constrictions.

Electric control of magnetism at the Fe/BaTiO 3 interface

DOE PAGES

Radaelli, G.; Petti, D.; Plekhanov, E.; ...

2014-03-03

Interfacial magnetoelectric coupling (MEC) is a viable path to achieve electrical writing of magnetic information in spintronic devices. For the prototypical Fe/BaTiO 3 (BTO) system, only tiny changes of the interfacial Fe magnetic moment upon reversal of the BTO dielectric polarization have been predicted so far. Here, by using X-ray magnetic circular dichroism in combination with high resolution electron microscopy and first principles calculations, we report on an undisclosed physical mechanism for interfacial MEC in the Fe/BTO system. At the Fe/BTO interface, an ultrathin FeO x layer exists, whose magnetization can be electrically and reversibly switched on-off at room-temperature bymore » reversing the BTO polarization. The suppression / recovery of interfacial ferromagnetism results from the asymmetric effect that ionic displacements in BTO produces on the exchange coupling constants in the adjacent FeOx layer. The observed giant magnetoelectric response holds potential for optimizing interfacial MEC in view of efficient, low-power spintronic devices.« less

Determination of Temperature- Dependent Mechanical Properties of Carbon Composites Under Tensile and Flexural Loading

NASA Astrophysics Data System (ADS)

Chripunow, Andre; Kubisch, Aline; Ruder, Matthias; Forster, Andreas; Korber, Hannes

2014-06-01

The presented test setup utilises a custom-built furnace realising test temperatures of up to 500°C. In order to ensure always optimal test conditions the temperature cell can be exchanged depending on the mechanical tests and specimen sizes. Cells for tensile and flexural loadings had been developed. With the latter one it is possible to perform three-point-bending tests, interlaminar-shear-strength tests as well as tests to determine the interlaminar fracture toughness. In this work the effect of fibre orientation on the mechanical properties of CFRP prepreg material under tensile and flexural loads at elevated temperatures was studied. Especially the matrix dominated layups showed a rather early decay of the mechanical properties even at temperatures quite lower than Tg. An analytical model has been used to describe the temperature-dependent properties. The model shows good agreement concerning the strength whereas the proper prediction of the moduli was only possible for the matrix dominated layups.

Chance-Constrained System of Systems Based Operation of Power Systems

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

Kargarian, Amin; Fu, Yong; Wu, Hongyu

In this paper, a chance-constrained system of systems (SoS) based decision-making approach is presented for stochastic scheduling of power systems encompassing active distribution grids. Based on the concept of SoS, the independent system operator (ISO) and distribution companies (DISCOs) are modeled as self-governing systems. These systems collaborate with each other to run the entire power system in a secure and economic manner. Each self-governing system accounts for its local reserve requirements and line flow constraints with respect to the uncertainties of load and renewable energy resources. A set of chance constraints are formulated to model the interactions between the ISOmore » and DISCOs. The proposed model is solved by using analytical target cascading (ATC) method, a distributed optimization algorithm in which only a limited amount of information is exchanged between collaborative ISO and DISCOs. In this paper, a 6-bus and a modified IEEE 118-bus power systems are studied to show the effectiveness of the proposed algorithm.« less

Influence of bulking agents on physical, chemical, and microbiological properties during the two-stage composting of green waste.

PubMed

Zhang, Lu; Sun, Xiangyang

2016-02-01

A recyclable organic bulking agent (BA) that can be screened and was developed to optimize green waste (GW) composting. This study investigated the use of wood chips (WC) (at 0%, 15%, and 25%) and/or composted green waste (CGW) (at 0%, 25%, and 35%) as the BAs in the two-stage composting of GW. The combined addition of WC and CGW improved the conditions of composting process and the quality of compost product in terms of composting temperature, porosity, water retention, particle-size distribution, pH, electrical conductivity (EC), cation exchange capacity (CEC), nitrogen losses, humification indices, microbial numbers, enzyme activities, macro- and micro-nutrient contents, and toxicity to germinating seeds. The compost matured in only 22days with the optimized two-stage composting method rather than in the 90-270days typically required for traditional composting. The optimal two-stage composting process and the best quality of compost product were obtained with the combined addition of 15% WC and 35% CGW. Copyright © 2015 Elsevier Ltd. All rights reserved.

Symbiosis-Based Alternative Learning Multi-Swarm Particle Swarm Optimization.

PubMed

Niu, Ben; Huang, Huali; Tan, Lijing; Duan, Qiqi

2017-01-01

Inspired by the ideas from the mutual cooperation of symbiosis in natural ecosystem, this paper proposes a new variant of PSO, named Symbiosis-based Alternative Learning Multi-swarm Particle Swarm Optimization (SALMPSO). A learning probability to select one exemplar out of the center positions, the local best position, and the historical best position including the experience of internal and external multiple swarms, is used to keep the diversity of the population. Two different levels of social interaction within and between multiple swarms are proposed. In the search process, particles not only exchange social experience with others that are from their own sub-swarms, but also are influenced by the experience of particles from other fellow sub-swarms. According to the different exemplars and learning strategy, this model is instantiated as four variants of SALMPSO and a set of 15 test functions are conducted to compare with some variants of PSO including 10, 30 and 50 dimensions, respectively. Experimental results demonstrate that the alternative learning strategy in each SALMPSO version can exhibit better performance in terms of the convergence speed and optimal values on most multimodal functions in our simulation.

Grain Yield Observations Constrain Cropland CO2 Fluxes Over Europe

NASA Astrophysics Data System (ADS)

Combe, M.; de Wit, A. J. W.; Vilà-Guerau de Arellano, J.; van der Molen, M. K.; Magliulo, V.; Peters, W.

2017-12-01

Carbon exchange over croplands plays an important role in the European carbon cycle over daily to seasonal time scales. A better description of this exchange in terrestrial biosphere models—most of which currently treat crops as unmanaged grasslands—is needed to improve atmospheric CO2 simulations. In the framework we present here, we model gross European cropland CO2 fluxes with a crop growth model constrained by grain yield observations. Our approach follows a two-step procedure. In the first step, we calculate day-to-day crop carbon fluxes and pools with the WOrld FOod STudies (WOFOST) model. A scaling factor of crop growth is optimized regionally by minimizing the final grain carbon pool difference to crop yield observations from the Statistical Office of the European Union. In a second step, we re-run our WOFOST model for the full European 25 × 25 km gridded domain using the optimized scaling factors. We combine our optimized crop CO2 fluxes with a simple soil respiration model to obtain the net cropland CO2 exchange. We assess our model's ability to represent cropland CO2 exchange using 40 years of observations at seven European FluxNet sites and compare it with carbon fluxes produced by a typical terrestrial biosphere model. We conclude that our new model framework provides a more realistic and strongly observation-driven estimate of carbon exchange over European croplands. Its products will be made available to the scientific community through the ICOS Carbon Portal and serve as a new cropland component in the CarbonTracker Europe inverse model.

Exact CNOT gates with a single nonlocal rotation for quantum-dot qubits

NASA Astrophysics Data System (ADS)

Pal, Arijeet; Rashba, Emmanuel I.; Halperin, Bertrand I.

2015-09-01

We investigate capacitively-coupled exchange-only two-qubit quantum gates based on quantum dots. For exchange-only coded qubits electron spin S and its projection Sz are exact quantum numbers. Capacitive coupling between qubits, as distinct from interqubit exchange, preserves these quantum numbers. We prove, both analytically and numerically, that conservation of the spins of individual qubits has a dramatic effect on the performance of two-qubit gates. By varying the level splittings of individual qubits, Ja and Jb, and the interqubit coupling time, t , we can find an infinite number of triples (Ja,Jb,t ) for which the two-qubit entanglement, in combination with appropriate single-qubit rotations, can produce an exact cnot gate. This statement is true for practically arbitrary magnitude and form of capacitive interqubit coupling. Our findings promise a large decrease in the number of nonlocal (two-qubit) operations in quantum circuits.

A simple numerical model for membrane oxygenation of an artificial lung machine

NASA Astrophysics Data System (ADS)

Subraveti, Sai Nikhil; Sai, P. S. T.; Viswanathan Pillai, Vinod Kumar; Patnaik, B. S. V.

2015-11-01

Optimal design of membrane oxygenators will have far reaching ramification in the development of artificial heart-lung systems. In the present CFD study, we simulate the gas exchange between the venous blood and air that passes through the hollow fiber membranes on a benchmark device. The gas exchange between the tube side fluid and the shell side venous liquid is modeled by solving mass, momentum conservation equations. The fiber bundle was modelled as a porous block with a bundle porosity of 0.6. The resistance offered by the fiber bundle was estimated by the standard Ergun correlation. The present numerical simulations are validated against available benchmark data. The effect of bundle porosity, bundle size, Reynolds number, non-Newtonian constitutive relation, upstream velocity distribution etc. on the pressure drop, oxygen saturation levels etc. are investigated. To emulate the features of gas transfer past the alveoli, the effect of pulsatility on the membrane oxygenation is also investigated.

Bypass valve and coolant flow controls for optimum temperatures in waste heat recovery systems

DOEpatents

Meisner, Gregory P

2013-10-08

Implementing an optimized waste heat recovery system includes calculating a temperature and a rate of change in temperature of a heat exchanger of a waste heat recovery system, and predicting a temperature and a rate of change in temperature of a material flowing through a channel of the waste heat recovery system. Upon determining the rate of change in the temperature of the material is predicted to be higher than the rate of change in the temperature of the heat exchanger, the optimized waste heat recovery system calculates a valve position and timing for the channel that is configurable for achieving a rate of material flow that is determined to produce and maintain a defined threshold temperature of the heat exchanger, and actuates the valve according to the calculated valve position and calculated timing.

76 FR 2705 - Notice of Realty Action; Modification of the Segregative Effect of Recreation and Public Purposes...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-01-14

... action will modify the segregation to open the lands only to effect this exchange. FOR FURTHER... lease on November 3, 1978, and published in the Federal Register (62 FR 9446) which included segregation...

The impact of professional and organizational identification on the relationship between hospital-physician exchange and customer-oriented behaviour of physicians.

PubMed

Trybou, Jeroen; De Caluwé, Gaelle; Verleye, Katrien; Gemmel, Paul; Annemans, Lieven

2015-02-17

Hospitals face increasingly competitive market conditions. In this challenging environment, hospitals have been struggling to build high-quality hospital-physician relationships. In the literature, two types of managerial strategies for optimizing relationships have been identified. The first focuses on optimizing the economic relationship; the second focuses on the noneconomic dimension and emphasizes the cooperative structure and collaborative nature of the hospital-physician relationship. We investigate potential spillover effects between the perceptions of physicians of organizational exchange and their customer-oriented behaviors. A cross-sectional study was conducted on 130 self-employed physicians practicing at six Belgian hospitals. Economic exchange was measured using the concept of distributive justice (DJ); noneconomic exchange was measured by the concept of perceived organizational support (POS). Our outcomes consist of three types of customer-oriented behaviours: internal influence (II), external representation (ER), and service delivery (SD). Our results show a positive relationship between DJ and II (adjusted R(2) = 0.038, t = 2.35; p = 0.028) and ER (adjusted R(2) = 0.15, t = 4.59; p < 0.001) and a positive relationship between POS and II (adjusted R(2) = 0.032, t = 2.26; p = 0.026) and ER (adjusted R(2) = 0.22, t = 5.81; p < 0.001). No relationship was present between DJ (p = 0.54) or POS (p = 0.57) and SD. Organizational identification positively moderates the relationship between POS and ER (p = 0.045) and between DJ and ER (p = 0.056). The relationships between POS and II (p = 0.54) and between DJ and II (p = 0.99) were not moderated by OI. Professional identification did not moderate the studied relationships. Our results demonstrate that both perceptions of economic and noneconomic exchange are important to self-employed physicians' customer-oriented behaviours. Fostering organizational identification could enhance this reciprocity dynamic.

Traveling the Silk Road: A Measurement of a Large Anonymous Online Marketplace

DTIC Science & Technology

2012-11-28

Silk Road, an anonymous, international online marketplace that operates as a Tor hidden service and uses Bitcoin as its exchange currency. We gather...analysis of Silk Road, an anonymous, international on- line marketplace that operates as a Tor hidden service and uses Bitcoin as its exchange currency. We...anonymity, Silk Road needs to also preserve payment anonymity. To that effect, Silk Road only supports Bitcoin (BTC, [30]) as a trading currency

Integrative energy-systems design: System structure from thermodynamic optimization

NASA Astrophysics Data System (ADS)

Ordonez, Juan Carlos

This thesis deals with the application of thermodynamic optimization to find optimal structure and operation conditions of energy systems. Chapter 1 outlines the thermodynamic optimization of a combined power and refrigeration system subject to constraints. It is shown that the thermodynamic optimum is reached by distributing optimally the heat exchanger inventory. Chapter 2 considers the maximization of power extraction from a hot stream in the presence of phase change. It shows that when the receiving (cold) stream boils in a counterflow heat exchanger, the thermodynamic optimization consists of locating the optimal capacity rate of the cold stream. Chapter 3 shows that the main architectural features of a counterflow heat exchanger can be determined based on thermodynamic optimization subject to volume constraint. Chapter 4 addresses two basic issues in the thermodynamic optimization of environmental control systems (ECS) for aircraft: realistic limits for the minimal power requirement, and design features that facilitate operation at minimal power consumption. Several models of the ECS-Cabin interaction are considered and it is shown that in all the models the temperature of the air stream that the ECS delivers to the cabin can be optimized for operation at minimal power. In chapter 5 it is shown that the sizes (weights) of heat and fluid flow systems that function on board vehicles such as aircraft can be derived from the maximization of overall (system level) performance. Chapter 6 develops analytically the optimal sizes (hydraulic diameters) of parallel channels that penetrate and cool a volume with uniformly distributed internal heat generation and Chapter 7 shows analytically and numerically how an originally uniform flow structure transforms itself into a nonuniform one when the objective is to minimize global flow losses. It is shown that flow maldistribution and the abandonment of symmetry are necessary for the development of flow structures with minimal resistance. In the second part of the chapter, the flow medium is continuous and permeated by Darcy flow. As flow systems become smaller and more compact, the flow systems themselves become "designed porous media".

Efficient universal blind quantum computation.

PubMed

Giovannetti, Vittorio; Maccone, Lorenzo; Morimae, Tomoyuki; Rudolph, Terry G

2013-12-06

We give a cheat sensitive protocol for blind universal quantum computation that is efficient in terms of computational and communication resources: it allows one party to perform an arbitrary computation on a second party's quantum computer without revealing either which computation is performed, or its input and output. The first party's computational capabilities can be extremely limited: she must only be able to create and measure single-qubit superposition states. The second party is not required to use measurement-based quantum computation. The protocol requires the (optimal) exchange of O(Jlog2(N)) single-qubit states, where J is the computational depth and N is the number of qubits needed for the computation.

Tunneling magnetoresistance sensors with different coupled free layers

NASA Astrophysics Data System (ADS)

Liu, Yen-Fu; Yin, Xiaolu; Yang, Yi; Ewing, Dan; De Rego, Paul J.; Liou, Sy-Hwang

2017-05-01

Large differences of magnetic coercivity (HC), exchange coupling field (HE), and tunneling magnetoresistance ratio (TMR) in magnetic tunnel junctions with different coupled free layers are discussed. We demonstrate that the magnetization behavior of the free layer is not only dominated by the interfacial barrier layer but also affected largely by the magnetic or non-magnetic coupled free layers. All these parameters are sensitively controlled by the magnetic nanostructure, which can be tuned also by the magnetic annealing process. The optimized sensors exhibit a large field sensitivity of up to 261%/mT in the region of the reversal synthetic ferrimagnet at the pinned layers.

A Substance Exchanger-Based Bioreactor Culture of Pig Discs for Studying the Immature Nucleus Pulposus.

PubMed

Li, Pei; Gan, Yibo; Wang, Haoming; Xu, Yuan; Song, Lei; Wang, Liyuan; Ouyang, Bin; Zhou, Qiang

2017-11-01

Various research models have been developed to study the biology of disc cells. Recently, the adult disc nucleus pulposus (NP) has been well studied. However, the immature NP is underinvestigated due to a lack of a suitable model. This study aimed to establish an organ culture of immature porcine disc by optimizing culture conditions and using a self-developed substance exchanger-based bioreactor. Immature porcine discs were first cultured in the bioreactor for 7 days at various levels of glucose (low, medium, high), osmolarity (hypo-, iso-, hyper-) and serum (5, 10, 20%) to determine the respective optimal level. The porcine discs were then cultured under the optimized conditions in the novel bioreactor, and were compared with fresh discs at day 14. For high-glucose, iso-osmolarity, or 10% serum, cell viability, the gene expression profile (for anabolic genes and catabolic genes), and glycosaminoglycan (GAG) and hydroxyproline (HYP) contents were more favorable than for other levels of glucose, osmolarity, and serum. When the immature discs were cultured under the optimized conditions using the novel bioreactor for 14 days, the viability of the immature NP was maintained based on histology, cell viability, GAG and HYP contents, and matrix molecule expression. In conclusion, the viability of the immature NP in organ culture could be maintained under the optimized culture conditions (high-glucose, iso-osmolarity, and 10% serum) in the substance exchanger-based bioreactor. © 2017 International Center for Artificial Organs and Transplantation and Wiley Periodicals, Inc.

A dynamic leaf gas-exchange strategy is conserved in woody ...

EPA Pesticide Factsheets

Rising atmospheric [CO2], ca, is expected to affect stomatal regulation of leaf gas-exchange of woody plants, thus influencing energy fluxes as well as carbon (C), water and nutrient cycling of forests. Researchers have reported that stomata regulate leaf gas-exchange around “set points” that include a constant leaf internal [CO2], ci, a constant drawdown in CO2 (ca - ci), and a constant ci/ca. Because these set points can result in drastically different consequences for leaf gas-exchange, it will be essential for the accuracy of Earth systems models that generalizable patterns in leaf gas-exchange responses to ca be identified if any do exist. We hypothesized that the concept of optimal stomatal behavior, exemplified by woody plants shifting along a continuum of these set point strategies, would provide a unifying framework for understanding leaf gas-exchange responses to ca. We analyzed studies reporting C stable isotope ratio (δ13C) or photosynthetic discrimination (∆13C) from woody plant taxa that grew across ca spanning at least 100 ppm for each species investigated. From these data we calculated ci, and in combination with known or estimated ca, leaf gas-exchange regulation strategies were assessed. Overall, our analyses does not support the hypothesis that trees are canalized towards any of the proposed set points, particularly so for a constant ci. Rather, the results are consistent with the hypothesis that stomatal optimization regulates leaf gas

Orthogonal test design for optimization of synthesis of MTX/LDHs hybrids by ion-exchange method

NASA Astrophysics Data System (ADS)

Liu, Su-Qing; Dai, Chao-Fan; Wang, Lin; Li, Shu-Ping; Li, Xiao-Dong

2015-04-01

Based on orthogonal test design, the factors influencing the synthesis of methotrexate intercalated magnesium-aluminum layered double hydroxides (MTX/LDHs for short) by ion-exchange method, such as weight ratio of pristine LDHs to MTX (R for short), exchange temperature, time and pH value were investigated. Of the four controllable independent variables, R had the strongest effect on the crystallinity and the drug-loading capacity and the optimum synthesis conditions considered from the crystallinity and the drug-loading capacity both pointed to the same values, i.e., R=2:1, pH=9.5, temperature of 80 °C and exchange time of 3 day. The XRD diffractions indicated that high MTX content was in favor of the formation of intercalated hybrids, while low content lead to the failure of it. TEM photos indicated that the intercalated hybrids all exhibited aggregated hexagonal plates. In order to improve the morphology, two different states of pristine LDHs, i.e., powder and colloid, were chosen to prepare MTX/LDHs hybrids and the results indicated that colloid state of pristine was advantageous to obtain regular particles. The study also revealed that the properties of hybrids obtained at optimum conditions by ion-exchange were superior to that obtained from standard methods, such as co-precipitation method.

Salicylate effects on proton gradient dissipation by isolated gastric mucosal surface cells.

PubMed

Olender, E J; Woods, D; Kozol, R; Fromm, D

1986-11-01

The effects of salicylate were examined on Na+/H+ exchange by isolated gastric mucosal surface cells loaded with H+ and resuspended in a buffered medium. Choline salicylate (pH 7.4) increases the dissipation of an intracellular proton gradient which was measured using acridine orange. The exchange of extracellular Na+ with intracellular H+ by surface cells not only remains intact but also is enhanced upon exposure to salicylate. This was confirmed by cellular uptake of 22Na and titration of cellular H+ efflux. Salicylate increases Na+/H+ exchange via a pathway predominantly sensitive to amiloride. However, the data also suggest that salicylate dissipates an intracellular proton gradient by an additional mechanism. The latter is independent of extracellular Na+ and not due to a generalized increase in cellular permeability.

Optimized anion exchange column isolation of zirconium-89 ( 89Zr) from yttrium cyclotron target: Method development and implementation on an automated fluidic platform

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

O’Hara, Matthew J.; Murray, Nathaniel J.; Carter, Jennifer C.

Zirconium-89 ( 89Zr), produced by the (p, n) reaction from naturally monoisotopic yttrium ( natY), is a promising positron emitting isotope for immunoPET imaging. Its long half-life of 78.4 h is sufficient for evaluating slow physiological processes. A prototype automated fluidic system, coupled to on-line and in-line detectors, has been constructed to facilitate development of new 89Zr purification methodologies. The highly reproducible reagent delivery platform and near-real time monitoring of column effluents allows for efficient method optimization. The separation of Zr from dissolved Y metal targets was evaluated using several anion exchange resins. Each resin was evaluated against its abilitymore » to quantitatively capture Zr from a load solution high in dissolved Y. The most appropriate anion exchange resin for this application was identified, and the separation method was optimized. The method is capable of a high Y decontamination factor (>10 5) and has been shown to remove Fe, an abundant contaminant in Y foils, from the 89Zr elution fraction. Finally, the method was evaluated using cyclotron bombarded Y foil targets; the method was shown to achieve >95% recovery of the 89Zr present in the foils. The anion exchange column method described here is intended to be the first 89Zr isolation stage in a dual-column purification process.« less

Optimized anion exchange column isolation of zirconium-89 ( 89Zr) from yttrium cyclotron target: Method development and implementation on an automated fluidic platform

DOE PAGES

O’Hara, Matthew J.; Murray, Nathaniel J.; Carter, Jennifer C.; ...

2018-02-24

Zirconium-89 ( 89Zr), produced by the (p, n) reaction from naturally monoisotopic yttrium ( natY), is a promising positron emitting isotope for immunoPET imaging. Its long half-life of 78.4 h is sufficient for evaluating slow physiological processes. A prototype automated fluidic system, coupled to on-line and in-line detectors, has been constructed to facilitate development of new 89Zr purification methodologies. The highly reproducible reagent delivery platform and near-real time monitoring of column effluents allows for efficient method optimization. The separation of Zr from dissolved Y metal targets was evaluated using several anion exchange resins. Each resin was evaluated against its abilitymore » to quantitatively capture Zr from a load solution high in dissolved Y. The most appropriate anion exchange resin for this application was identified, and the separation method was optimized. The method is capable of a high Y decontamination factor (>10 5) and has been shown to remove Fe, an abundant contaminant in Y foils, from the 89Zr elution fraction. Finally, the method was evaluated using cyclotron bombarded Y foil targets; the method was shown to achieve >95% recovery of the 89Zr present in the foils. The anion exchange column method described here is intended to be the first 89Zr isolation stage in a dual-column purification process.« less

Efficient and lightweight current leads

NASA Astrophysics Data System (ADS)

Bromberg, L.; Dietz, A. J.; Michael, P. C.; Gold, C.; Cheadle, M.

2014-01-01

Current leads generate substantial cryogenic heat loads in short length High Temperature Superconductor (HTS) distribution systems. Thermal conduction, as well as Joule losses (I2R) along the current leads, comprises the largest cryogenic loads for short distribution systems. Current leads with two temperature stages have been designed, constructed and tested, with the goal of minimizing the electrical power consumption, and to provide thermal margin for the cable. We present the design of a two-stage current lead system, operating at 140 K and 55 K. This design is very attractive when implemented with a turbo-Brayton cycle refrigerator (two-stage), with substantial power and weight reduction. A heat exchanger is used at each temperature station, with conduction-cooled stages in-between. Compact, efficient heat exchangers are challenging, because of the gaseous coolant. Design, optimization and performance of the heat exchangers used for the current leads will be presented. We have made extensive use of CFD models for optimizing hydraulic and thermal performance of the heat exchangers. The methodology and the results of the optimization process will be discussed. The use of demountable connections between the cable and the terminations allows for ease of assembly, but require means of aggressively cooling the region of the joint. We will also discuss the cooling of the joint. We have fabricated a 7 m, 5 kA cable with second generation HTS tapes. The performance of the system will be described.

Hyperpolarized (129) Xe imaging of the rat lung using spiral IDEAL.

PubMed

Doganay, Ozkan; Wade, Trevor; Hegarty, Elaine; McKenzie, Charles; Schulte, Rolf F; Santyr, Giles E

2016-08-01

To implement and optimize a single-shot spiral encoding strategy for rapid 2D IDEAL projection imaging of hyperpolarized (Hp) (129) Xe in the gas phase, and in the pulmonary tissue (PT) and red blood cells (RBCs) compartments of the rat lung, respectively. A theoretical and experimental point spread function analysis was used to optimize the spiral k-space read-out time in a phantom. Hp (129) Xe IDEAL images from five healthy rats were used to: (i) optimize flip angles by a Bloch equation analysis using measured kinetics of gas exchange and (ii) investigate the feasibility of the approach to characterize the exchange of Hp (129) Xe. A read-out time equal to approximately 1.8 × T2* was found to provide the best trade-off between spatial resolution and signal-to-noise ratio (SNR). Spiral IDEAL approaches that use the entire dissolved phase magnetization should give an SNR improvement of a factor of approximately three compared with Cartesian approaches with similar spatial resolution. The IDEAL strategy allowed imaging of gas, PT, and RBC compartments with sufficient SNR and temporal resolution to permit regional gas exchange measurements in healthy rats. Single-shot spiral IDEAL imaging of gas, PT and RBC compartments and gas exchange is feasible in rat lung using Hp (129) Xe. Magn Reson Med 76:566-576, 2016. © 2015 Wiley Periodicals, Inc. © 2015 Wiley Periodicals, Inc.

Investigating Liquid CO2 as a Coolant for a MTSA Heat Exchanger Design

NASA Technical Reports Server (NTRS)

Paul, Heather L.; Padilla, Sebastian; Powers, Aaron; Iacomini, Christie

2009-01-01

Metabolic heat regenerated Temperature Swing Adsorption (MTSA) technology is being developed for thermal and carbon dioxide (CO 2) control for a future Portable Life Support System (PLSS), as well as water recycling. CO 2 removal and rejection is accomplished by driving a sorbent through a temperature swing of approximately 210 K to 280 K . The sorbent is cooled to these sub-freezing temperatures by a Sublimating Heat Exchanger (SHX) with liquid coolant expanded to sublimation temperatures. Water is the baseline coolant available on the moon, and if used, provides a competitive solution to the current baseline PLSS schematic. Liquid CO2 (LCO2) is another non-cryogenic coolant readily available from Martian resources which can be produced and stored using relatively low power and minimal infrastructure. LCO 2 expands from high pressure liquid (5800 kPa) to Mars ambient (0.8 kPa) to produce a gas / solid mixture at temperatures as low as 156 K. Analysis and experimental work are presented to investigate factors that drive the design of a heat exchanger to effectively use this sink. Emphasis is given to enabling efficient use of the CO 2 cooling potential and mitigation of heat exchanger clogging due to solid formation. Minimizing mass and size as well as coolant delivery are also considered. The analysis and experimental work is specifically performed in an MTSA-like application to enable higher fidelity modeling for future optimization of a SHX design. In doing so, the work also demonstrates principles and concepts so that the design can be further optimized later in integrated applications (including Lunar application where water might be a choice of coolant).

Essays in applied macroeconomics: Asymmetric price adjustment, exchange rate and treatment effect

NASA Astrophysics Data System (ADS)

Gu, Jingping

This dissertation consists of three essays. Chapter II examines the possible asymmetric response of gasoline prices to crude oil price changes using an error correction model with GARCH errors. Recent papers have looked at this issue. Some of these papers estimate a form of error correction model, but none of them accounts for autoregressive heteroskedasticity in estimation and testing for asymmetry and none of them takes the response of crude oil price into consideration. We find that time-varying volatility of gasoline price disturbances is an important feature of the data, and when we allow for asymmetric GARCH errors and investigate the system wide impulse response function, we find evidence of asymmetric adjustment to crude oil price changes in weekly retail gasoline prices. Chapter III discusses the relationship between fiscal deficit and exchange rate. Economic theory predicts that fiscal deficits can significantly affect real exchange rate movements, but existing empirical evidence reports only a weak impact of fiscal deficits on exchange rates. Based on US dollar-based real exchange rates in G5 countries and a flexible varying coefficient model, we show that the previously documented weak relationship between fiscal deficits and exchange rates may be the result of additive specifications, and that the relationship is stronger if we allow fiscal deficits to impact real exchange rates non-additively as well as nonlinearly. We find that the speed of exchange rate adjustment toward equilibrium depends on the state of the fiscal deficit; a fiscal contraction in the US can lead to less persistence in the deviation of exchange rates from fundamentals, and faster mean reversion to the equilibrium. Chapter IV proposes a kernel method to deal with the nonparametric regression model with only discrete covariates as regressors. This new approach is based on recently developed least squares cross-validation kernel smoothing method. It can not only automatically smooth the irrelevant variables out of the nonparametric regression model, but also avoid the problem of loss of efficiency related to the traditional nonparametric frequency-based method and the problem of misspecification based on parametric model.

Brayton cycle heat exchanger and duct assembly (HXDA, preliminary design and technology tests

NASA Technical Reports Server (NTRS)

Coombs, M. G.; Morse, C. J.; Graves, R. F.; Gibson, J. C.

1972-01-01

A preliminary design of the heat exchanger and duct assembly (HXDA) for a 60 kwe, closed loop, Brayton cycle space power system is presented. This system is weight optimized within the constraints imposed by the defined structural and operational requirements. Also presented are the results of several small scale tests, directed to obtaining specific design data and/or the resolution of a design approach for long life Brayton cycle heat exchanger systems.

Synthesis of biodiesel from pongamia oil using heterogeneous ion-exchange resin catalyst.

PubMed

Jaya, N; Selvan, B Karpanai; Vennison, S John

2015-11-01

Biodiesel is a clean-burning renewable substitute fuel for petroleum. Biodiesel could be effectively produced by transesterification reaction of triglycerides of vegetable oils with short-chain alcohols in the presence of homogeneous or heterogeneous catalysts. Conventionally, biodiesel manufacturing processes employ strong acids or bases as catalysts. But, separation of the catalyst and the by-product glycerol from the product ester is too expensive to justify the product use as an automobile fuel. Hence heterogeneous catalysts are preferred. In this study, transesterification of pongamia oil with ethanol was performed using a solid ion-exchange resin catalyst. It is a macro porous strongly basic anion exchange resin. The process parameters affecting the ethyl ester yield were investigated. The reaction conditions were optimized for the maximum yield of fatty acid ethyl ester (FAEE) of pongamia oil. The properties of FAEE were compared with accepted standards of biodiesel. Engine performance was also studied with pongamia oil diesel blend and engine emission characteristics were observed. Copyright © 2015 Elsevier Inc. All rights reserved.

Exchange coupling interaction in L10-FePd/α-Fe nanocomposite magnets with large maximum energy products.

PubMed

Sakuma, Noritsugu; Ohshima, Tsubasa; Shoji, Tetsuya; Suzuki, Yoshihito; Sato, Ryota; Wachi, Ayako; Kato, Akira; Kawai, Yoichiro; Manabe, Akira; Teranishi, Toshiharu

2011-04-26

Nanocomposite magnets (NCMs) consisting of hard and soft magnetic phases are expected to be instrumental in overcoming the current theoretical limit of magnet performance. In this study, structural analyses were performed on L1(0)-FePd/α-Fe NCMs with various hard/soft volume fractions, which were formed by annealing Pd/γ-Fe(2)O(3) heterostructured nanoparticles and pure Pd nanoparticles. The sample with a hard/soft volume ratio of 82/18 formed by annealing at 773 K had the largest maximum energy product (BH(max) = 10.3 MGOe). In such a sample, the interface between the hard and soft phases was coherent and the phase sizes were optimized, both of which effectively induced exchange coupling. This exchange coupling was directly observed by visualizing the magnetic interaction between the hard and soft phases using a first-order reversal curve diagram, which is a valuable tool to improve the magnetic properties of NCMs.

78 FR 14394 - Self-Regulatory Organizations; EDGA Exchange, Inc.; Notice of Filing and Immediate Effectiveness...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-03-05

... will remain at the original price at which it was posted to the EDGA Book. Example 1: EDGA Only/Post... Upper Price Band. Example 2: Price Band Moves Higher Than EDGA Only/Post Only Buy Order on the EDGA Book... and a short sale price test restriction under Rule 201 of Regulation SHO (``short sale price test...

Ubiquitous signatures of nematic quantum criticality in optimally doped Fe-based superconductors

DOE PAGES

Kuo, H. -H.; Chu, J. -H.; Palmstrom, J. C.; ...

2016-05-19

A key actor in the conventional theory of superconductivity is the induced interaction between electrons mediated by the exchange of virtual collective fluctuations (phonons in the case of conventional s-wave superconductors). Other collective modes that can play the same role, especially spin fluctuations, have been widely discussed in the context of high-temperature and heavy Fermion superconductors. The strength of such collective fluctuations is measured by the associated susceptibility. Here we use differential elastoresistance measurements from five optimally doped iron-based superconductors to show that divergent nematic susceptibility appears to be a generic feature in the optimal doping regime of these materials.more » This observation motivates consideration of the effects of nematic fluctuations on the superconducting pairing interaction in this family of compounds and possibly beyond.« less

Effect of medication reconciliation on medication costs after hospital discharge in relation to hospital pharmacy labor costs.

PubMed

Karapinar-Çarkit, Fatma; Borgsteede, Sander D; Zoer, Jan; Egberts, Toine C G; van den Bemt, Patricia M L A; van Tulder, Maurits

2012-03-01

Medication reconciliation aims to correct discrepancies in medication use between health care settings and to check the quality of pharmacotherapy to improve effectiveness and safety. In addition, medication reconciliation might also reduce costs. To evaluate the effect of medication reconciliation on medication costs after hospital discharge in relation to hospital pharmacy labor costs. A prospective observational study was performed. Patients discharged from the pulmonology department were included. A pharmacy team assessed medication errors prevented by medication reconciliation. Interventions were classified into 3 categories: correcting hospital formulary-induced medication changes (eg, reinstating less costly generic drugs used before admission), optimizing pharmacotherapy (eg, discontinuing unnecessary laxative), and eliminating discrepancies (eg, restarting omitted preadmission medication). Because eliminating discrepancies does not represent real costs to society (before hospitalization, the patient was also using the medication), these medication costs were not included in the cost calculation. Medication costs at 1 month and 6 months after hospital discharge and the associated labor costs were assessed using descriptive statistics and scenario analyses. For the 6-month extrapolation, only medication intended for chronic use was included. Two hundred sixty-two patients were included. Correcting hospital formulary changes saved €1.63/patient (exchange rate: EUR 1 = USD 1.3443) in medication costs at 1 month after discharge and €9.79 at 6 months. Optimizing pharmacotherapy saved €20.13/patient in medication costs at 1 month and €86.86 at 6 months. The associated labor costs for performing medication reconciliation were €41.04/patient. Medication cost savings from correcting hospital formulary-induced changes and optimizing of pharmacotherapy (€96.65/patient) outweighed the labor costs at 6 months extrapolation by €55.62/patient (sensitivity analysis €37.25-71.10). Preventing medication errors through medication reconciliation results in higher benefits than the costs related to the net time investment.

Effect of Ir-Mn composition on exchange bias and thermal stability of spin valves with nano-oxide layers

NASA Astrophysics Data System (ADS)

Liu, Y. F.; Cai, J. W.; Lai, W. Y.; Yu, G. H.

2008-05-01

The Ir-Mn bottom-pinned spin valves with nano-oxide layers (NOLs), Ta /Ni81Fe19/Ir-Mn/Co90Fe10/NOL/Co90Fe10/Cu/Co90Fe10/NOL/Ta, were fabricated by dc magnetron sputtering. The magnetoresistance (MR), magnetization, and exchange bias have been studied as a function of Ir-Mn composition and annealing temperature. It was observed that the spin valves with the Ir-Mn layer containing relatively low Mn content (58.9-72.4at.% Mn) show the best thermal endurance. For these samples, the Mn diffusion is effectively hampered by the NOL with a large MR value of about 12.5% even after annealing at 300°C. On the other hand, the exchange bias field of the pinned CoFe layer shows a maximum at Mn content of about 72.4at.%, which is different from the widely adopted composition, Ir-80at.% Mn, optimized from the top-pinned NiFe /Ir-Mn system. Moreover, the blocking temperature of the Ir -Mn/CoFe system with 72.4at.% Mn is higher than that with 80.6at.% Mn. The present results suggest that the Ir -Mn/CoFe pinning system with Mn content at about 72% renders the most favorable exchange bias and the best thermal stability for the bottom-pinned specular spin valves.

Order parameter free enhanced sampling of the vapor-liquid transition using the generalized replica exchange method.

PubMed

Lu, Qing; Kim, Jaegil; Straub, John E

2013-03-14

The generalized Replica Exchange Method (gREM) is extended into the isobaric-isothermal ensemble, and applied to simulate a vapor-liquid phase transition in Lennard-Jones fluids. Merging an optimally designed generalized ensemble sampling with replica exchange, gREM is particularly well suited for the effective simulation of first-order phase transitions characterized by "backbending" in the statistical temperature. While the metastable and unstable states in the vicinity of the first-order phase transition are masked by the enthalpy gap in temperature replica exchange method simulations, they are transformed into stable states through the parameterized effective sampling weights in gREM simulations, and join vapor and liquid phases with a succession of unimodal enthalpy distributions. The enhanced sampling across metastable and unstable states is achieved without the need to identify a "good" order parameter for biased sampling. We performed gREM simulations at various pressures below and near the critical pressure to examine the change in behavior of the vapor-liquid phase transition at different pressures. We observed a crossover from the first-order phase transition at low pressure, characterized by the backbending in the statistical temperature and the "kink" in the Gibbs free energy, to a continuous second-order phase transition near the critical pressure. The controlling mechanisms of nucleation and continuous phase transition are evident and the coexistence properties and phase diagram are found in agreement with literature results.

Perceived Appearance Judgments Moderate the Biological Stress Effects of Social Exchanges

PubMed Central

Geiger, Ashley M.; Sabik, Natalie J.; Lupis, Sarah B.; Rene, Kirsten M.; Wolf, Jutta M.

2014-01-01

Social relationships are generally thought of as beneficial. However, the present study set out to test the hypothesis that for individuals who perceive others to judge their appearance negatively, daily social interactions can also be a source of stress. Indeed when assessing 38 young adults, we found that both more incidences of negative exchanges reported during the past month as well as perceived negative appearance judgments by others were associated with more self-reported stress. Interestingly, however, for individuals with low attribution body esteem, higher numbers of positive social exchanges during the past month were related to health-relevant changes in biological markers of chronic stress as well. The same was true for individuals with high attribution body esteem who reported to experience only very few positive exchanges. As such, these findings go beyond the initial focus on low body esteem and negative social exchanges and introduce high body esteem as well as daily positive exchanges as potential health risk factors. PMID:25457637

Vaccination and treatment as control interventions in an infectious disease model with their cost optimization

NASA Astrophysics Data System (ADS)

Kumar, Anuj; Srivastava, Prashant K.

2017-03-01

In this work, an optimal control problem with vaccination and treatment as control policies is proposed and analysed for an SVIR model. We choose vaccination and treatment as control policies because both these interventions have their own practical advantage and ease in implementation. Also, they are widely applied to control or curtail a disease. The corresponding total cost incurred is considered as weighted combination of costs because of opportunity loss due to infected individuals and costs incurred in providing vaccination and treatment. The existence of optimal control paths for the problem is established and guaranteed. Further, these optimal paths are obtained analytically using Pontryagin's Maximum Principle. We analyse our results numerically to compare three important strategies of proposed controls, viz.: vaccination only; with both treatment and vaccination; and treatment only. We note that first strategy (vaccination only) is less effective as well as expensive. Though, for a highly effective vaccine, vaccination alone may also work well in comparison with treatment only strategy. Among all the strategies, we observe that implementation of both treatment and vaccination is most effective and less expensive. Moreover, in this case the infective population is found to be relatively very low. Thus, we conclude that the comprehensive effect of vaccination and treatment not only minimizes cost burden due to opportunity loss and applied control policies but also keeps a tab on infective population.

Synthesis of polymer ion-exchange hydrogels under γ - irradiation 60Co

NASA Astrophysics Data System (ADS)

Le, V. M.; Zhevnyak, V. D.; Pak, V. Kh; Ananev, V. A.; Borodin, U. V.

2015-04-01

We have reported earlier about the modification of ion-exchange hydrogel under the influence of gamma radiation. The optimal absorbed dose of irradiation had been choosen for radiation modification of polymer hydrogels by ionits to produce products with a high content of the gel - fractions and sufficient mechanical properties. The dependence of the static exchange capacity of hydrogels on the type of ionit and its fractional composition had been studied. The dependence of the static exchange capacity of the quantitative composition of the ionit in the volume of the hydrogel had been investigated. The ion-exchange medical eye lenses had been made under selected conditions of synthesis. Their sorption properties had been studied.

Grid-free density functional calculations on periodic systems.

PubMed

Varga, Stefan

2007-09-21

Density fitting scheme is applied to the exchange part of the Kohn-Sham potential matrix in a grid-free local density approximation for infinite systems with translational periodicity. It is shown that within this approach the computational demands for the exchange part scale in the same way as for the Coulomb part. The efficiency of the scheme is demonstrated on a model infinite polymer chain. For simplicity, the implementation with Dirac-Slater Xalpha exchange functional is presented only. Several choices of auxiliary basis set expansion coefficients were tested with both Coulomb and overlap metric. Their effectiveness is discussed also in terms of robustness and norm preservation.

Grid-free density functional calculations on periodic systems

NASA Astrophysics Data System (ADS)

Varga, Štefan

2007-09-01

Density fitting scheme is applied to the exchange part of the Kohn-Sham potential matrix in a grid-free local density approximation for infinite systems with translational periodicity. It is shown that within this approach the computational demands for the exchange part scale in the same way as for the Coulomb part. The efficiency of the scheme is demonstrated on a model infinite polymer chain. For simplicity, the implementation with Dirac-Slater Xα exchange functional is presented only. Several choices of auxiliary basis set expansion coefficients were tested with both Coulomb and overlap metric. Their effectiveness is discussed also in terms of robustness and norm preservation.

[International academic mobility program in nursing experience report].

PubMed

de Oliveira, Mariana Gonçalves; Pagliuca, Lorita Marlena Freitag

2012-03-01

An experience of studying abroad or of academic exchange, really adds value to the professional and personal development of exchange students. This report aims to describe a student's experience in an international academic mobility program. It was developed from 2008 to 2009 in Brazil and Spain. The experiences, observations and activities of the student were emphasized believing that the training of students and researchers is not only restricted to the university and the students' home country, and that it is important to have possibilities of new experiences and differentiated knowledge. The conclusion is that this opportunity promoted a profound effect on psychological, cultural social and scientific development of the exchange student.

Chiral ligand-exchange high-performance liquid chromatography with copper (II)-L-phenylalanine complexes for separation of 3,4-dimethoxy-α-methylphenylalanine racemes.

PubMed

Jia, Dong-Xu; Ai, Zheng-Gui; Xue, Ya-Ping; Zheng, Yu-Guo

2014-11-01

L-3, 4-dimethoxy-α-methylphenylalanine (L-DMMD) is an important intermediate for the synthesis of 3-hydroxy-α-methyl-L-tyrosine (L-methyldopa). This paper describes an efficient, accurate, and low-priced method of high-performance liquid chromatography (HPLC) using chiral mobile phase and conventional C18 column to separate L-DMMD from its enantiomers. The effects of ligands, copper salts, organic modifiers, pHs of mobile phase, and temperatures on the retention factors (k') and selectivity (α) were evaluated to achieve optimal separation performance. Then, thermal analysis of the optimal separation conditions was investigated as well. It was confirmed that the optimal mobile phase was composed of 20 % (v/v) methanol, 8 mM L-phenylalanine (L-Phe), and 4 mM cupric sulfate in water of pH 3.2, and the column temperature was set at 20 °C. Baseline separation of two enantiomers could be obtained through the conventional C18 column with a resolution (R) of 3.18 in less than 18 min. Thermodynamic data (∆∆H and ∆∆S) obtained by Van't Hoff plots revealed the chiral separation was an enthalpy-controlled process. To the best of our knowledge, this is the first report regarding the enantioseparation of DMMD by chiral ligand-exchange HPLC.

The role of metal ions in chemical evolution - Polymerization of alanine and glycine in a cation-exchanged clay environment

NASA Technical Reports Server (NTRS)

Lawless, J. G.; Levi, N.

1979-01-01

The effect of the exchangeable cation on the condensation of glycine and alanine was investigated using a series of homoionic bentonites. A cycling procedure of drying, warming and wetting was employed. Peptide bond formation was observed, and the effectiveness of metal ions to catalyze the condensation was Cu(2+) greater than Ni(2) approximately equals Zn(2+) greater than Na(+). Glycine showed 6% of the monomer incorporated into oligomers with the largest detected being the pentamer. Alanine showed less peptide bond formation (a maximum of 2%) and only the dimer was observed.

The climatic effects of nuclear war

NASA Technical Reports Server (NTRS)

Turco, R. P.; Toon, O. B.; Ackerman, T. P.; Pollack, J. B.; Sagan, C.

1984-01-01

The effects of various US-USSR nuclear-exchange scenarios on global climate are investigated by means of computer simulations, summarizing the results of Turco et al. (1983) and follow-up studies using 3D global-circulation models. A nuclear-scenario model is used to determine the amounts of dust, smoke, radioactivity, and pyrotoxins generated by a particular type of nuclear exchange (such as a general 5,000-Mt exchange, a 1,000-Mt limited exchange, a 5,000-Mt hard-target counterforce attack, and a 100-Mt attack on cities only): a particle-microphysics model predicts the evolution of the dust and smoke particles; and a radiative-convective climate model estimates the effects of the dust and smoke clouds on the global radiation budget. The findings are presented in graphs, diagrams, and a table. Thick clouds blocking most sunlight over the Northern Hemisphere midlatitudes for weeks or months and producing ground-temperature reductions of 20-40 C, disruption of global circulation patterns, and rapid spread of clouds to the Southern Hemisphere are among the 'nuclear-winter' effects predicted for the 5,000-Mt baseline case. The catastrophic consequences for plant, animal, and human populations are considered, and the revision of superpower nuclear strategies is urged.

A Novel Coupled Resonator Photonic Crystal Design in Lithium Niobate for Electrooptic Applications

DOE PAGES

Ozturk, Birol; Yavuzcetin, Ozgur; Sridhar, Srinivas

2015-01-01

High-aspect-ratio photonic crystal air-hole fabrication on bulk Lithium Niobate (LN) substrates is extremely difficult due to its inherent resistance to etching, resulting in conical structures and high insertion losses. Here, we propose a novel coupled resonator photonic crystal (CRPC) design, combining a coupled resonator approach with that of Bragg gratings. CRPC design parameters were optimized by analytical calculations and FDTD simulations. CRPC structures with optimized parameters were fabricated and electrooptically tested on bulk LN annealed proton exchange waveguides. Low insertion loss and large electrooptic effect were observed with the fabricated devices, making the CRPC design a promising structure for electroopticmore » device applications.« less

Development of novel purifiers with appropriate functional groups based on solvent polarities at bulk filtration

NASA Astrophysics Data System (ADS)

Kohyama, Tetsu; Kaneko, Fumiya; Ly, Saksatha; Hamzik, James; Jaber, Jad; Yamada, Yoshiaki

2017-03-01

Weak-polar solvents like PGMEA (Propylene Glycol Monomethyl Ether Acetate) or CHN (Cyclohexanone) are used to dissolve hydrophobic photo-resist polymers, which are challenging for traditional cleaning methods such as distillation, ion-exchange resins service or water-washing processes. This paper investigated two novel surface modifications to see their effectiveness at metal removal and to understand the mechanism. The experiments yielded effective purification methods for metal reduction, focusing on solvent polarities based on HSP (Hansen Solubility Parameters), and developing optimal purification strategies.

Heat Transfer and Entropy Generation Analysis of an Intermediate Heat Exchanger in ADS

NASA Astrophysics Data System (ADS)

Wang, Yongwei; Huai, Xiulan

2018-04-01

The intermediate heat exchanger for enhancement heat transfer is the important equipment in the usage of nuclear energy. In the present work, heat transfer and entropy generation of an intermediate heat exchanger (IHX) in the accelerator driven subcritical system (ADS) are investigated experimentally. The variation of entropy generation number with performance parameters of the IHX is analyzed, and effects of inlet conditions of the IHX on entropy generation number and heat transfer are discussed. Compared with the results at two working conditions of the constant mass flow rates of liquid lead-bismuth eutectic (LBE) and helium gas, the total pumping power all tends to reduce with the decreasing entropy generation number, but the variations of the effectiveness, number of transfer units and thermal capacity rate ratio are inconsistent, and need to analyze respectively. With the increasing inlet mass flow rate or LBE inlet temperature, the entropy generation number increases and the heat transfer is enhanced, while the opposite trend occurs with the increasing helium gas inlet temperature. The further study is necessary for obtaining the optimized operation parameters of the IHX to minimize entropy generation and enhance heat transfer.

Learning in engineered multi-agent systems

NASA Astrophysics Data System (ADS)

Menon, Anup

Consider the problem of maximizing the total power produced by a wind farm. Due to aerodynamic interactions between wind turbines, each turbine maximizing its individual power---as is the case in present-day wind farms---does not lead to optimal farm-level power capture. Further, there are no good models to capture the said aerodynamic interactions, rendering model based optimization techniques ineffective. Thus, model-free distributed algorithms are needed that help turbines adapt their power production on-line so as to maximize farm-level power capture. Motivated by such problems, the main focus of this dissertation is a distributed model-free optimization problem in the context of multi-agent systems. The set-up comprises of a fixed number of agents, each of which can pick an action and observe the value of its individual utility function. An individual's utility function may depend on the collective action taken by all agents. The exact functional form (or model) of the agent utility functions, however, are unknown; an agent can only measure the numeric value of its utility. The objective of the multi-agent system is to optimize the welfare function (i.e. sum of the individual utility functions). Such a collaborative task requires communications between agents and we allow for the possibility of such inter-agent communications. We also pay attention to the role played by the pattern of such information exchange on certain aspects of performance. We develop two algorithms to solve this problem. The first one, engineered Interactive Trial and Error Learning (eITEL) algorithm, is based on a line of work in the Learning in Games literature and applies when agent actions are drawn from finite sets. While in a model-free setting, we introduce a novel qualitative graph-theoretic framework to encode known directed interactions of the form "which agents' action affect which others' payoff" (interaction graph). We encode explicit inter-agent communications in a directed graph (communication graph) and, under certain conditions, prove convergence of agent joint action (under eITEL) to the welfare optimizing set. The main condition requires that the union of interaction and communication graphs be strongly connected; thus the algorithm combines an implicit form of communication (via interactions through utility functions) with explicit inter-agent communications to achieve the given collaborative goal. This work has kinship with certain evolutionary computation techniques such as Simulated Annealing; the algorithm steps are carefully designed such that it describes an ergodic Markov chain with a stationary distribution that has support over states where agent joint actions optimize the welfare function. The main analysis tool is perturbed Markov chains and results of broader interest regarding these are derived as well. The other algorithm, Collaborative Extremum Seeking (CES), uses techniques from extremum seeking control to solve the problem when agent actions are drawn from the set of real numbers. In this case, under the assumption of existence of a local minimizer for the welfare function and a connected undirected communication graph between agents, a result regarding convergence of joint action to a small neighborhood of a local optimizer of the welfare function is proved. Since extremum seeking control uses a simultaneous gradient estimation-descent scheme, gradient information available in the continuous action space formulation is exploited by the CES algorithm to yield improved convergence speeds. The effectiveness of this algorithm for the wind farm power maximization problem is evaluated via simulations. Lastly, we turn to a different question regarding role of the information exchange pattern on performance of distributed control systems by means of a case study for the vehicle platooning problem. In the vehicle platoon control problem, the objective is to design distributed control laws for individual vehicles in a platoon (or a road-train) that regulate inter-vehicle distances at a specified safe value while the entire platoon follows a leader-vehicle. While most of the literature on the problem deals with some inadequacy in control performance when the information exchange is of the nearest neighbor-type, we consider an arbitrary graph serving as information exchange pattern and derive a relationship between how a certain indicator of control performance is related to the information pattern. Such analysis helps in understanding qualitative features of the `right' information pattern for this problem.

77 FR 67847 - Self-Regulatory Organizations; Chicago Board Options Exchange, Incorporated; Notice of Filing and...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-11-14

... ex-dividend.\\5\\ Dividend strategy transactions are only executed by Market-Makers. The Exchange... Sliding Scale volume thresholds. However, because only Market- Makers execute dividend strategy trades and... from the list of strategy executions for which fee caps apply. Under the Exchange's current Fees...

Optimal design of microtube recuperators for an indirect supercritical carbon dioxide recompression closed Brayton cycle

DOE PAGES

Jiang, Yuan; Liese, Eric; Zitney, Stephen E.; ...

2018-02-25

This paper presents a baseline design and optimization approach developed in Aspen Custom Modeler (ACM) for microtube shell-and-tube exchangers (MSTEs) used for high- and low-temperature recuperation in a 10 MWe indirect supercritical carbon dioxide (sCO 2) recompression closed Brayton cycle (RCBC). The MSTE-type recuperators are designed using one-dimensional models with thermal-hydraulic correlations appropriate for sCO 2 and properties models that capture considerable nonlinear changes in CO 2 properties near the critical and pseudo-critical points. Using the successive quadratic programming (SQP) algorithm in ACM, optimal recuperator designs are obtained for either custom or industry-standard microtubes considering constraints based on current advancedmore » manufacturing techniques. The three decision variables are the number of tubes, tube pitch-to-diameter ratio, and tube diameter. Five different objective functions based on different key design measures are considered: minimization of total heat transfer area, heat exchanger volume, metal weight, thermal residence time, and maximization of compactness. Sensitivities studies indicate the constraint on the maximum number of tubes per shell does affect the number of parallel heat exchanger trains but not the tube selection, total number of tubes, tube length and other key design measures in the final optimal design when considering industry-standard tubes. In this study, the optimally designed high- and low-temperature recuperators have 47,000 3/32 inch tubes and 63,000 1/16 inch tubes, respectively. In addition, sensitivities to the design temperature approach and maximum allowable pressure drop are studied, since these specifications significantly impact the optimal design of the recuperators as well as the thermal efficiency and the economic performance of the entire sCO 2 Brayton cycle.« less

Optimal design of microtube recuperators for an indirect supercritical carbon dioxide recompression closed Brayton cycle

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

Jiang, Yuan; Liese, Eric; Zitney, Stephen E.

This paper presents a baseline design and optimization approach developed in Aspen Custom Modeler (ACM) for microtube shell-and-tube exchangers (MSTEs) used for high- and low-temperature recuperation in a 10 MWe indirect supercritical carbon dioxide (sCO 2) recompression closed Brayton cycle (RCBC). The MSTE-type recuperators are designed using one-dimensional models with thermal-hydraulic correlations appropriate for sCO 2 and properties models that capture considerable nonlinear changes in CO 2 properties near the critical and pseudo-critical points. Using the successive quadratic programming (SQP) algorithm in ACM, optimal recuperator designs are obtained for either custom or industry-standard microtubes considering constraints based on current advancedmore » manufacturing techniques. The three decision variables are the number of tubes, tube pitch-to-diameter ratio, and tube diameter. Five different objective functions based on different key design measures are considered: minimization of total heat transfer area, heat exchanger volume, metal weight, thermal residence time, and maximization of compactness. Sensitivities studies indicate the constraint on the maximum number of tubes per shell does affect the number of parallel heat exchanger trains but not the tube selection, total number of tubes, tube length and other key design measures in the final optimal design when considering industry-standard tubes. In this study, the optimally designed high- and low-temperature recuperators have 47,000 3/32 inch tubes and 63,000 1/16 inch tubes, respectively. In addition, sensitivities to the design temperature approach and maximum allowable pressure drop are studied, since these specifications significantly impact the optimal design of the recuperators as well as the thermal efficiency and the economic performance of the entire sCO 2 Brayton cycle.« less

Study of switching behavior of exchange-coupled nanomagnets by transverse magnetization metrology

NASA Astrophysics Data System (ADS)

Dey, Himadri S.; Csaba, Gyorgy; Bernstein, Gary H.; Porod, Wolfgang

2017-05-01

We investigate the static switching modes of nanomagnets patterned from antiferromagnetically exchange-coupled magnetic multilayers, and compare them to nanomagnets having only dipole coupling between the ferromagnetic layers. Vibrating sample magnetometry experiments, supported by micromagnetic simulations, reveal two distinct switching mechanisms between the exchange-coupled and only dipole-coupled nanomagnets. The exchange-coupled nanomagnets exhibit gradual switching of the layers, dictated by the strong antiferromagnetic exchange coupling present between the layers. However, the layers of the only dipole-coupled nanomagnets show abrupt nucleation/growth type switching. A comprehensive understanding of the switching modes of such layered and patterned systems can add new insight into the reversal mechanisms of similar systems employed for spintronic and magneto-logic device applications.

Wireless Relay Selection in Pocket Switched Networks Based on Spatial Regularity of Human Mobility †

PubMed Central

Huang, Jianhui; Cheng, Xiuzhen; Bi, Jingping; Chen, Biao

2016-01-01

Pocket switched networks (PSNs) take advantage of human mobility to deliver data. Investigations on real-world trace data indicate that human mobility shows an obvious spatial regularity: a human being usually visits a few places at high frequencies. These most frequently visited places form the home of a node, which is exploited in this paper to design two HomE based Relay selectiOn (HERO) algorithms. Both algorithms input single data copy into the network at any time. In the basic HERO, only the first node encountered by the source and whose home overlaps a destination’s home is selected as a relay while the enhanced HERO keeps finding more optimal relay that visits the destination’s home with higher probability. The two proposed algorithms only require the relays to exchange the information of their home and/or the visiting frequencies to their home when two nodes meet. As a result, the information update is reduced and there is no global status information that needs to be maintained. This causes light loads on relays because of the low communication cost and storage requirements. Additionally, only simple operations are needed in the two proposed algorithms, resulting in little computation overhead at relays. At last, a theoretical analysis is performed on some key metrics and then the real-world based simulations indicate that the two HERO algorithms are efficient and effective through employing only one or a few relays. PMID:26797609

Magnetization reversal of an individual exchange-biased permalloy nanotube

NASA Astrophysics Data System (ADS)

Buchter, A.; Wölbing, R.; Wyss, M.; Kieler, O. F.; Weimann, T.; Kohlmann, J.; Zorin, A. B.; Rüffer, D.; Matteini, F.; Tütüncüoglu, G.; Heimbach, F.; Kleibert, A.; Fontcuberta i Morral, A.; Grundler, D.; Kleiner, R.; Koelle, D.; Poggio, M.

2015-12-01

We investigate the magnetization reversal mechanism in an individual permalloy (Py) nanotube (NT) using a hybrid magnetometer consisting of a nanometer-scale SQUID (nanoSQUID) and a cantilever torque sensor. The Py NT is affixed to the tip of a Si cantilever and positioned in order to optimally couple its stray flux into a Nb nanoSQUID. We are thus able to measure both the NT's volume magnetization by dynamic cantilever magnetometry and its stray flux using the nanoSQUID. We observe a training effect and a temperature dependence in the magnetic hysteresis, suggesting an exchange bias. We find a low blocking temperature TB=18 ±2 K, indicating the presence of a thin antiferromagnetic native oxide, as confirmed by x-ray absorption spectroscopy on similar samples. Furthermore, we measure changes in the shape of the magnetic hysteresis as a function of temperature and increased training. These observations show that the presence of a thin exchange-coupled native oxide modifies the magnetization reversal process at low temperatures. Complementary information obtained via cantilever and nanoSQUID magnetometry allows us to conclude that, in the absence of exchange coupling, this reversal process is nucleated at the NT's ends and propagates along its length as predicted by theory.

Development of a Platform for Simulating and Optimizing Thermoelectric Energy Systems

NASA Astrophysics Data System (ADS)

Kreuder, John J.

Thermoelectrics are solid state devices that can convert thermal energy directly into electrical energy. They have historically been used only in niche applications because of their relatively low efficiencies. With the advent of nanotechnology and improved manufacturing processes thermoelectric materials have become less costly and more efficient As next generation thermoelectric materials become available there is a need for industries to quickly and cost effectively seek out feasible applications for thermoelectric heat recovery platforms. Determining the technical and economic feasibility of such systems requires a model that predicts performance at the system level. Current models focus on specific system applications or neglect the rest of the system altogether, focusing on only module design and not an entire energy system. To assist in screening and optimizing entire energy systems using thermoelectrics, a novel software tool, Thermoelectric Power System Simulator (TEPSS), is developed for system level simulation and optimization of heat recovery systems. The platform is designed for use with a generic energy system so that most types of thermoelectric heat recovery applications can be modeled. TEPSS is based on object-oriented programming in MATLABRTM. A modular, shell based architecture is developed to carry out concept generation, system simulation and optimization. Systems are defined according to the components and interconnectivity specified by the user. An iterative solution process based on Newton's Method is employed to determine the system's steady state so that an objective function representing the cost of the system can be evaluated at the operating point. An optimization algorithm from MATLAB's Optimization Toolbox uses sequential quadratic programming to minimize this objective function with respect to a set of user specified design variables and constraints. During this iterative process many independent system simulations are executed and the optimal operating condition of the system is determined. A comprehensive guide to using the software platform is included. TEPSS is intended to be expandable so that users can add new types of components and implement component models with an adequate degree of complexity for a required application. Special steps are taken to ensure that the system of nonlinear algebraic equations presented in the system engineering model is square and that all equations are independent. In addition, the third party program FluidProp is leveraged to allow for simulations of systems with a range of fluids. Sequential unconstrained minimization techniques are used to prevent physical variables like pressure and temperature from trending to infinity during optimization. Two case studies are performed to verify and demonstrate the simulation and optimization routines employed by TEPSS. The first is of a simple combined cycle in which the size of the heat exchanger and fuel rate are optimized. The second case study is the optimization of geometric parameters of a thermoelectric heat recovery platform in a regenerative Brayton Cycle. A basic package of components and interconnections are verified and provided as well.

Charge exchange collisions of slow C6 + with atomic and molecular H

NASA Astrophysics Data System (ADS)

Saha, Bidhan C.; Guevara, Nicolais L.; Sabin, John R.; Deumens, Erik; Öhrn, Yngve

2016-04-01

Charge exchange in collisions of C6+ ions with H and H2 is investigated theoretically at projectile energies 0.1 < E < 10 keV/amu, using electron nuclear dynamics (END) - a semi-classical approximation which not only includes electron translation factors for avoiding spurious couplings but also employs full dynamical trajectories to treat nuclear motions. Both the total and partial cross sections are reported for the collision of C6+ ions with atomic and molecular hydrogen. A comparison with other theoretical and experimental results shows, in general good agreement except at very low energy, considered here. For H2, the one- and two-electron charge exchange cross sections are calculated and compared with other theoretical and experimental results. Small but non-negligible isotope effects are found at the lowest energy studied in the charge transfer of C6+ with H. In low energy region, it is observed that H2 has larger isotope effects than H atom due to the polarizability effect which is larger than the mass effect.

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

Rehman, Nasir, E-mail: nasirzainy1@hotmail.com; Shashiashvili, Malkhaz

The classical Garman-Kohlhagen model for the currency exchange assumes that the domestic and foreign currency risk-free interest rates are constant and the exchange rate follows a log-normal diffusion process.In this paper we consider the general case, when exchange rate evolves according to arbitrary one-dimensional diffusion process with local volatility that is the function of time and the current exchange rate and where the domestic and foreign currency risk-free interest rates may be arbitrary continuous functions of time. First non-trivial problem we encounter in time-dependent case is the continuity in time argument of the value function of the American put optionmore » and the regularity properties of the optimal exercise boundary. We establish these properties based on systematic use of the monotonicity in volatility for the value functions of the American as well as European options with convex payoffs together with the Dynamic Programming Principle and we obtain certain type of comparison result for the value functions and corresponding exercise boundaries for the American puts with different strikes, maturities and volatilities.Starting from the latter fact that the optimal exercise boundary curve is left continuous with right-hand limits we give a mathematically rigorous and transparent derivation of the significant early exercise premium representation for the value function of the American foreign exchange put option as the sum of the European put option value function and the early exercise premium.The proof essentially relies on the particular property of the stochastic integral with respect to arbitrary continuous semimartingale over the predictable subsets of its zeros. We derive from the latter the nonlinear integral equation for the optimal exercise boundary which can be studied by numerical methods.« less

Exchange-Correlation Effects for Noncovalent Interactions in Density Functional Theory.

PubMed

Otero-de-la-Roza, A; DiLabio, Gino A; Johnson, Erin R

2016-07-12

In this article, we develop an understanding of how errors from exchange-correlation functionals affect the modeling of noncovalent interactions in dispersion-corrected density-functional theory. Computed CCSD(T) reference binding energies for a collection of small-molecule clusters are decomposed via a molecular many-body expansion and are used to benchmark density-functional approximations, including the effect of semilocal approximation, exact-exchange admixture, and range separation. Three sources of error are identified. Repulsion error arises from the choice of semilocal functional approximation. This error affects intermolecular repulsions and is present in all n-body exchange-repulsion energies with a sign that alternates with the order n of the interaction. Delocalization error is independent of the choice of semilocal functional but does depend on the exact exchange fraction. Delocalization error misrepresents the induction energies, leading to overbinding in all induction n-body terms, and underestimates the electrostatic contribution to the 2-body energies. Deformation error affects only monomer relaxation (deformation) energies and behaves similarly to bond-dissociation energy errors. Delocalization and deformation errors affect systems with significant intermolecular orbital interactions (e.g., hydrogen- and halogen-bonded systems), whereas repulsion error is ubiquitous. Many-body errors from the underlying exchange-correlation functional greatly exceed in general the magnitude of the many-body dispersion energy term. A functional built to accurately model noncovalent interactions must contain a dispersion correction, semilocal exchange, and correlation components that minimize the repulsion error independently and must also incorporate exact exchange in such a way that delocalization error is absent.

OPTIMIZATION OF MULTICOMPONENT PERVAPORATION FOR REMOVAL OF VOLATILE ORGANIC COMPOUNDS FROM WATER

EPA Science Inventory

Optimal operation of a hollow fiber membrane module for pervaporative removal of multicomponent volatile organic compounds (VOCs) from wastewater was studied. A shell-and-tube heat-exchange type of hollow fiber module was considered for treatment of a wastewater containing toluen...

Alternative separation of exchange and correlation energies in multi-configuration range-separated density-functional theory.

PubMed

Stoyanova, Alexandrina; Teale, Andrew M; Toulouse, Julien; Helgaker, Trygve; Fromager, Emmanuel

2013-10-07

The alternative separation of exchange and correlation energies proposed by Toulouse et al. [Theor. Chem. Acc. 114, 305 (2005)] is explored in the context of multi-configuration range-separated density-functional theory. The new decomposition of the short-range exchange-correlation energy relies on the auxiliary long-range interacting wavefunction rather than the Kohn-Sham (KS) determinant. The advantage, relative to the traditional KS decomposition, is that the wavefunction part of the energy is now computed with the regular (fully interacting) Hamiltonian. One potential drawback is that, because of double counting, the wavefunction used to compute the energy cannot be obtained by minimizing the energy expression with respect to the wavefunction parameters. The problem is overcome by using short-range optimized effective potentials (OEPs). The resulting combination of OEP techniques with wavefunction theory has been investigated in this work, at the Hartree-Fock (HF) and multi-configuration self-consistent-field (MCSCF) levels. In the HF case, an analytical expression for the energy gradient has been derived and implemented. Calculations have been performed within the short-range local density approximation on H2, N2, Li2, and H2O. Significant improvements in binding energies are obtained with the new decomposition of the short-range energy. The importance of optimizing the short-range OEP at the MCSCF level when static correlation becomes significant has also been demonstrated for H2, using a finite-difference gradient. The implementation of the analytical gradient for MCSCF wavefunctions is currently in progress.

Novel proton exchange membranes based on structure-optimized poly(ether ether ketone ketone)s and nanocrystalline cellulose

NASA Astrophysics Data System (ADS)

Ni, Chuangjiang; Wei, Yingcong; Zhao, Qi; Liu, Baijun; Sun, Zhaoyan; Gu, Yan; Zhang, Mingyao; Hu, Wei

2018-03-01

Two sulfonated fluorenyl-containing poly(ether ether ketone ketone)s (SFPEEKKs) were synthesized as the matrix of composite proton exchange membranes by directly sulfonating copolymer precursors comprising non-sulfonatable fluorinated segments and sulfonatable fluorenyl-containing segments. Surface-modified nanocrystalline cellulose (NCC) was produced as the "performance-enhancing" filler by treating the microcrystalline cellulose with acid. Two families of SFPEEKK/NCC nanocomposite membranes with various NCC contents were prepared via a solution-casting procedure. Results revealed that the insertion of NCC at a suitable ratio could greatly enhance the proton conductivity of the pristine membranes. For example, the proton conductivity of SFPEEKK-60/NCC-4 (SFPEEKK with 60% fluorenyl segments in the repeating unit, and inserted with 4% NCC) composite membrane was as high as 0.245 S cm-1 at 90 °C, which was 61.2% higher than that of the corresponding pure SFPEEKK-60 membrane. This effect could be attributed to the formation of hydrogen bond networks and proton conduction paths through the interaction between -SO3H/-OH groups on the surface of NCC particles and -SO3H groups on the SFPEEKK backbones. Furthermore, the chemically modified NCC filler and the optimized chemical structure of the SFPEEKK matrix also provided good dimensional stability and mechanical properties of the obtained nanocomposites. In conclusion, these novel nanocomposites can be promising proton exchange membranes for fuel cells at moderate temperatures.

Joint terminals and relay optimization for two-way power line information exchange systems with QoS constraints

NASA Astrophysics Data System (ADS)

Wu, Xiaolin; Rong, Yue

2015-12-01

The quality-of-service (QoS) criteria (measured in terms of the minimum capacity requirement in this paper) are very important to practical indoor power line communication (PLC) applications as they greatly affect the user experience. With a two-way multicarrier relay configuration, in this paper we investigate the joint terminals and relay power optimization for the indoor broadband PLC environment, where the relay node works in the amplify-and-forward (AF) mode. As the QoS-constrained power allocation problem is highly non-convex, the globally optimal solution is computationally intractable to obtain. To overcome this challenge, we propose an alternating optimization (AO) method to decompose this problem into three convex/quasi-convex sub-problems. Simulation results demonstrate the fast convergence of the proposed algorithm under practical PLC channel conditions. Compared with the conventional bidirectional direct transmission (BDT) system, the relay-assisted two-way information exchange (R2WX) scheme can meet the same QoS requirement with less total power consumption.

Complete exchange on the iPSC-860

NASA Technical Reports Server (NTRS)

Bokhari, Shahid H.

1991-01-01

The implementation of complete exchange on the circuit switched Intel iPSC-860 hypercube is described. This pattern, also known as all-to-all personalized communication, is the densest requirement that can be imposed on a network. On the iPSC-860, care needs to be taken to avoid edge contention, which can have a disastrous impact on communication time. There are basically two classes of algorithms that achieve contention-free complete exchange. The first contains the classical standard exchange algorithm that is generally useful for small message sizes. The second includes a number of optimal or near-optimal algorithms that are best for large messages. Measurement of communication overhead on the iPSC-860 are given and a notation for analyzing communication link usage is developed. It is shown that for the two classes of algorithms, there is substantial variation in performance with synchronization technique and choice of message protocol. Timings of six implementations are given; each of these is useful over a particular range of message size and cube dimension. Since the complete exchange is a superset of communication patterns, these timings represent upper bounds on the time required by an arbitrary communication requirement. These results indicate that the programmer needs to evaluate several possibilities before finalizing an implementation - a careful choice can lead to very significant savings in time.

Exchange Bias Optimization by Controlled Oxidation of Cobalt Nanoparticle Films Prepared by Sputter Gas Aggregation

PubMed Central

Antón, Ricardo López; González, Juan A.; Andrés, Juan P.; Normile, Peter S.; Canales-Vázquez, Jesús; Muñiz, Pablo; Riveiro, José M.; De Toro, José A.

2017-01-01

Porous films of cobalt nanoparticles have been obtained by sputter gas aggregation and controllably oxidized by air annealing at 100 °C for progressively longer times (up to more than 1400 h). The magnetic properties of the samples were monitored during the process, with a focus on the exchange bias field. Air annealing proves to be a convenient way to control the Co/CoO ratio in the samples, allowing the optimization of the exchange bias field to a value above 6 kOe at 5 K. The occurrence of the maximum in the exchange bias field is understood in terms of the density of CoO uncompensated spins and their degree of pinning, with the former reducing and the latter increasing upon the growth of a progressively thicker CoO shell. Vertical shifts exhibited in the magnetization loops are found to correlate qualitatively with the peak in the exchange bias field, while an increase in vertical shift observed for longer oxidation times may be explained by a growing fraction of almost completely oxidized particles. The presence of a hummingbird-like form in magnetization loops can be understood in terms of a combination of hard (biased) and soft (unbiased) components; however, the precise origin of the soft phase is as yet unresolved. PMID:28336895

Exchange Bias Optimization by Controlled Oxidation of Cobalt Nanoparticle Films Prepared by Sputter Gas Aggregation.

PubMed

Antón, Ricardo López; González, Juan A; Andrés, Juan P; Normile, Peter S; Canales-Vázquez, Jesús; Muñiz, Pablo; Riveiro, José M; De Toro, José A

2017-03-11

Porous films of cobalt nanoparticles have been obtained by sputter gas aggregation and controllably oxidized by air annealing at 100 °C for progressively longer times (up to more than 1400 h). The magnetic properties of the samples were monitored during the process, with a focus on the exchange bias field. Air annealing proves to be a convenient way to control the Co/CoO ratio in the samples, allowing the optimization of the exchange bias field to a value above 6 kOe at 5 K. The occurrence of the maximum in the exchange bias field is understood in terms of the density of CoO uncompensated spins and their degree of pinning, with the former reducing and the latter increasing upon the growth of a progressively thicker CoO shell. Vertical shifts exhibited in the magnetization loops are found to correlate qualitatively with the peak in the exchange bias field, while an increase in vertical shift observed for longer oxidation times may be explained by a growing fraction of almost completely oxidized particles. The presence of a hummingbird-like form in magnetization loops can be understood in terms of a combination of hard (biased) and soft (unbiased) components; however, the precise origin of the soft phase is as yet unresolved.

76 FR 28826 - Self-Regulatory Organizations; BATS Y-Exchange, Inc.; Notice of Filing of Proposed Rule Change by...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-05-18

...-Regulatory Organizations; BATS Y-Exchange, Inc.; Notice of Filing of Proposed Rule Change by BATS Y-Exchange...''),\\1\\ and Rule 19b-4 thereunder,\\2\\ notice is hereby given that on May 9, 2011, BATS Y-Exchange, Inc... the market is a BATS Post Only Order. As defined in Rule 11.9(c)(6), a BATS Post Only Order is ``[a]n...

Solubility and Cation Exchange Properties of Synthetic Hydroxyapatite and Clinoptilolite Mixtures

NASA Technical Reports Server (NTRS)

Beiersdorfer, Raymond E.; Ming, Douglas W.

2003-01-01

A zeoponic plant growth system is defined as the cultivation of plants in artificial soils, which have zeolites as a major component. These systems: 1) can serve as a controllable and renewable fertilization system to provide plant growth nutrients; 2) can mitigate the adverse effects of contamination due to leaching of highly soluble and concentrated fertilizers; and 3) are being considered as substrates for plant growth in regenerative life-support systems for long-duration space missions. Batch-equilibrium studies of the dissolution and ion-exchange properties of mixtures of naturally-occurring Wyoming clinoptilolite (a zeolite) exchanged with K(+) or NH4(+); and synthetic hydroxyapatite were conducted to determine: 1) the plant availability of the macro-nutrients NH4-N, P, K, Ca, and Mg and 2) the effects of varying the clinoptilolite to hydroxyapatite ratio and the ratio of exchangeable cations (K(+) vs. NH4(+)) on clinoptilolite extraframework sites. The nutrients NH4-N (19.7 to 73.6 mg L(sup -1), P (0.57 to 14.99 mg L(sup- 1), K (14.8 to 104.9 mg L(sup -1), and Mg (0.11 to 6.68mg L(sup -1) are available to plants at sufficient levels. Solution Ca concentrations (0.47 to 3.40 mg L(sup -1) are less than optimal. Solution concentrations of NH4(+), K(+), Ca(2+), and Mg(2+) all decreased with increasing clinoptilolite to hydroxyapatite ratio in the sample. Solution concentrations of phosphorous initially increased, reached a maximum value and then decreased with increasing clinoptilolite to hydroxyapatite ratio in the sample. The NH4(+) -exchanged clinoptilolite is more efficient in dissolving synthetic hydroxyapatite than the K(+) -exchanged clinoptilolite. This suggests that NH4(+), which is less selective at clinoptilolite extraframework sites than K(+) is exchanged more readily by Ca(2+) and thereby enhances the dissolution of the synthetic hydroxyapatite.

Parameterized CAD techniques implementation for the fatigue behaviour optimization of a service chamber

NASA Astrophysics Data System (ADS)

Sánchez, H. T.; Estrems, M.; Franco, P.; Faura, F.

2009-11-01

In recent years, the market of heat exchangers is increasingly demanding new products in short cycle time, which means that both the design and manufacturing stages must be extremely reduced. The design stage can be reduced by means of CAD-based parametric design techniques. The methodology presented in this proceeding is based on the optimized control of geometric parameters of a service chamber of a heat exchanger by means of the Application Programming Interface (API) provided by the Solidworks CAD package. Using this implementation, a set of different design configurations of the service chamber made of stainless steel AISI 316 are studied by means of the FE method. As a result of this study, a set of knowledge rules based on the fatigue behaviour are constructed and integrated into the design optimization process.

The nature of three-body interactions in DFT: Exchange and polarization effects

NASA Astrophysics Data System (ADS)

Hapka, Michał; Rajchel, Łukasz; Modrzejewski, Marcin; Schäffer, Rainer; Chałasiński, Grzegorz; Szcześniak, Małgorzata M.

2017-08-01

We propose a physically motivated decomposition of density functional theory (DFT) 3-body nonadditive interaction energies into the exchange and density-deformation (polarization) components. The exchange component represents the effect of the Pauli exclusion in the wave function of the trimer and is found to be challenging for density functional approximations (DFAs). The remaining density-deformation nonadditivity is less dependent upon the DFAs. Numerical demonstration is carried out for rare gas atom trimers, Ar2-HX (X = F, Cl) complexes, and small hydrogen-bonded and van der Waals molecular systems. None of the tested semilocal, hybrid, and range-separated DFAs properly accounts for the nonadditive exchange in dispersion-bonded trimers. By contrast, for hydrogen-bonded systems, range-separated DFAs achieve a qualitative agreement to within 20% of the reference exchange energy. A reliable performance for all systems is obtained only when the monomers interact through the Hartree-Fock potential in the dispersion-free Pauli blockade scheme. Additionally, we identify the nonadditive second-order exchange-dispersion energy as an important but overlooked contribution in force-field-like dispersion corrections. Our results suggest that range-separated functionals do not include this component, although semilocal and global hybrid DFAs appear to imitate it in the short range.

Devise of an exhaust gas heat exchanger for a thermal oil heater in a palm oil refinery plant

NASA Astrophysics Data System (ADS)

Chucherd, Panom; Kittisupakorn, Paisan

2017-08-01

This paper presents the devise of an exhaust gas heat exchanger for waste heat recovery of the exhausted flue gas of palm oil refinery plant. This waste heat can be recovered by installing an economizer to heat the feed water which can save the fuel consumption of the coal fired steam boiler and the outlet temperature of flue gas will be controlled in order to avoid the acid dew point temperature and protect the filter bag. The decrease of energy used leads to the reduction of CO2 emission. Two designed economizer studied in this paper are gas in tube and water in tube. The gas in tube exchanger refers to the shell and tube heat exchanger which the flue gas flows in tube; this designed exchanger is used in the existing unit. The new designed water in tube refers to the shell and tube heat exchanger which the water flows in the tube; this designed exchanger is proposed for new implementation. New economizer has the overall coefficient of heat transfer of 19.03 W/m2.K and the surface heat transfer area of 122 m2 in the optimized case. Experimental results show that it is feasible to install economizer in the exhaust flue gas system between the air preheater and the bag filter, which has slightly disadvantage effect in the system. The system can raise the feed water temperature from 40 to 104°C and flow rate 3.31 m3/h, the outlet temperature of flue gas is maintained about 130 °C.

Optimal temperature ladders in replica exchange simulations

NASA Astrophysics Data System (ADS)

Denschlag, Robert; Lingenheil, Martin; Tavan, Paul

2009-04-01

In replica exchange simulations, a temperature ladder with N rungs spans a given temperature interval. Considering systems with heat capacities independent of the temperature, here we address the question of how large N should be chosen for an optimally fast diffusion of the replicas through the temperature space. Using a simple example we show that choosing average acceptance probabilities of about 45% and computing N accordingly maximizes the round trip rates r across the given temperature range. This result differs from previous analyses which suggested smaller average acceptance probabilities of about 23%. We show that the latter choice maximizes the ratio r/N instead of r.

Optimization of SHINE Process: Design and Verification of Plant-Scale AG 1 Anion-Exchange Concentration Column and Titania Sorbent Pretreatment

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

Stepinski, Dominique C.; Abdul, Momen; Youker, Amanda J.

2016-06-01

Argonne National Laboratory has developed a Mo-recovery and -purification system for the SHINE medical technologies process, which uses a uranyl sulfate solution for the accelerator-driven production of Mo-99. The objective of this effort is to reduce the processing time for the acidification of the Mo-99 product prior to loading onto a concentration column and concentration of the Mo-99 product solution. Two methods were investigated: (1) the replacement of the titania concentration column by an anion-exchange column to decrease processing time and increase the radioiodine-decontamination efficiency and (2) pretreatment of the titania sorbent to improve its effectiveness for the Mo-recovery andmore » -concentration columns. Promising results are reported for both methods.« less

Optimization of the lithium/thionyl chloride battery

NASA Technical Reports Server (NTRS)

White, Ralph E.

1989-01-01

A 1-D math model for the lithium/thionyl chloride primary cell is used in conjunction with a parameter estimation technique in order to estimate the electro-kinetic parameters of this electrochemical system. The electro-kinetic parameters include the anodic transfer coefficient and exchange current density of the lithium oxidation, alpha sub a,1 and i sub o,i,ref, the cathodic transfer coefficient and the effective exchange current density of the thionyl chloride reduction, alpha sub c,2 and a sup o i sub o,2,ref, and a morphology parameter, Xi. The parameter estimation is performed on simulated data first in order to gain confidence in the method. Data, reported in the literature, for a high rate discharge of an experimental lithium/thionyl chloride cell is used for an analysis.

Economic policy optimization based on both one stochastic model and the parametric control theory

NASA Astrophysics Data System (ADS)

Ashimov, Abdykappar; Borovskiy, Yuriy; Onalbekov, Mukhit

2016-06-01

A nonlinear dynamic stochastic general equilibrium model with financial frictions is developed to describe two interacting national economies in the environment of the rest of the world. Parameters of nonlinear model are estimated based on its log-linearization by the Bayesian approach. The nonlinear model is verified by retroprognosis, estimation of stability indicators of mappings specified by the model, and estimation the degree of coincidence for results of internal and external shocks' effects on macroeconomic indicators on the basis of the estimated nonlinear model and its log-linearization. On the base of the nonlinear model, the parametric control problems of economic growth and volatility of macroeconomic indicators of Kazakhstan are formulated and solved for two exchange rate regimes (free floating and managed floating exchange rates)

Assessments of the Veteran Medication Allergy Knowledge Gap and Potential Safety Improvements with the Veteran Health Information Exchange (VHIE).

PubMed

Pan, Eric; Botts, Nathan; Jordan, Harmon; Olinger, Lois; Donahue, Margaret; Hsing, Nelson

2016-01-01

The U.S. Department of Veterans Affairs (VA) Veteran Health Information Exchange (VHIE, formerly Virtual Lifetime Electronic Record, or VLER) had been deployed at all VA sites and used to exchange clinical information with private sector healthcare partners nationally. This paper examined VHIE's effect on allergy documentation. Review of all inbound VHIE transactions in FY14 showed that VHIE use was associated with a nearly eight-fold increase in allergy documentation rate. Preliminary manual document review further showed that VA and partners had shared knowledge of only 38% ofpatient allergies, while VA had exclusive knowledge of another 58% ofpatient allergies, and partners had exclusive knowledge of the last 5% of patient allergies. To our knowledge, this is the first study that examined the effect of HIE on allergy documentation.

Assessments of the Veteran Medication Allergy Knowledge Gap and Potential Safety Improvements with the Veteran Health Information Exchange (VHIE)

PubMed Central

Pan, Eric; Botts, Nathan; Jordan, Harmon; Olinger, Lois; Donahue, Margaret; Hsing, Nelson

2016-01-01

The U.S. Department of Veterans Affairs (VA) Veteran Health Information Exchange (VHIE, formerly Virtual Lifetime Electronic Record, or VLER) had been deployed at all VA sites and used to exchange clinical information with private sector healthcare partners nationally. This paper examined VHIE’s effect on allergy documentation. Review of all inbound VHIE transactions in FY14 showed that VHIE use was associated with a nearly eight-fold increase in allergy documentation rate. Preliminary manual document review further showed that VA and partners had shared knowledge of only 38% ofpatient allergies, while VA had exclusive knowledge of another 58% ofpatient allergies, and partners had exclusive knowledge of the last 5% of patient allergies. To our knowledge, this is the first study that examined the effect of HIE on allergy documentation. PMID:28269897

Exchange inlet optimization by genetic algorithm for improved RBCC performance

NASA Astrophysics Data System (ADS)

Chorkawy, G.; Etele, J.

2017-09-01

A genetic algorithm based on real parameter representation using a variable selection pressure and variable probability of mutation is used to optimize an annular air breathing rocket inlet called the Exchange Inlet. A rapid and accurate design method which provides estimates for air breathing, mixing, and isentropic flow performance is used as the engine of the optimization routine. Comparison to detailed numerical simulations show that the design method yields desired exit Mach numbers to within approximately 1% over 75% of the annular exit area and predicts entrained air massflows to between 1% and 9% of numerically simulated values depending on the flight condition. Optimum designs are shown to be obtained within approximately 8000 fitness function evaluations in a search space on the order of 106. The method is also shown to be able to identify beneficial values for particular alleles when they exist while showing the ability to handle cases where physical and aphysical designs co-exist at particular values of a subset of alleles within a gene. For an air breathing engine based on a hydrogen fuelled rocket an exchange inlet is designed which yields a predicted air entrainment ratio within 95% of the theoretical maximum.

Optimization technique of wavefront coding system based on ZEMAX externally compiled programs

NASA Astrophysics Data System (ADS)

Han, Libo; Dong, Liquan; Liu, Ming; Zhao, Yuejin; Liu, Xiaohua

2016-10-01

Wavefront coding technique as a means of athermalization applied to infrared imaging system, the design of phase plate is the key to system performance. This paper apply the externally compiled programs of ZEMAX to the optimization of phase mask in the normal optical design process, namely defining the evaluation function of wavefront coding system based on the consistency of modulation transfer function (MTF) and improving the speed of optimization by means of the introduction of the mathematical software. User write an external program which computes the evaluation function on account of the powerful computing feature of the mathematical software in order to find the optimal parameters of phase mask, and accelerate convergence through generic algorithm (GA), then use dynamic data exchange (DDE) interface between ZEMAX and mathematical software to realize high-speed data exchanging. The optimization of the rotational symmetric phase mask and the cubic phase mask have been completed by this method, the depth of focus increases nearly 3 times by inserting the rotational symmetric phase mask, while the other system with cubic phase mask can be increased to 10 times, the consistency of MTF decrease obviously, the maximum operating temperature of optimized system range between -40°-60°. Results show that this optimization method can be more convenient to define some unconventional optimization goals and fleetly to optimize optical system with special properties due to its externally compiled function and DDE, there will be greater significance for the optimization of unconventional optical system.

Modification and optimization of the united-residue (UNRES) potential-energy function for canonical simulations. I. Temperature dependence of the effective energy function and tests of the optimization method with single training proteins

PubMed Central

Liwo, Adam; Khalili, Mey; Czaplewski, Cezary; Kalinowski, Sebastian; Ołdziej, Stanisław; Wachucik, Katarzyna; Scheraga, Harold A.

2011-01-01

We report the modification and parameterization of the united-residue (UNRES) force field for energy-based protein-structure prediction and protein-folding simulations. We tested the approach on three training proteins separately: 1E0L (β), 1GAB (α), and 1E0G (α + β). Heretofore, the UNRES force field had been designed and parameterized to locate native-like structures of proteins as global minima of their effective potential-energy surfaces, which largely neglected the conformational entropy because decoys composed of only lowest-energy conformations were used to optimize the force field. Recently, we developed a mesoscopic dynamics procedure for UNRES, and applied it with success to simulate protein folding pathways. How ever, the force field turned out to be largely biased towards α-helical structures in canonical simulations because the conformational entropy had been neglected in the parameterization. We applied the hierarchical optimization method developed in our earlier work to optimize the force field, in which the conformational space of a training protein is divided into levels each corresponding to a certain degree of native-likeness. The levels are ordered according to increasing native-likeness; level 0 corresponds to structures with no native-like elements and the highest level corresponds to the fully native-like structures. The aim of optimization is to achieve the order of the free energies of levels, decreasing as their native-likeness increases. The procedure is iterative, and decoys of the training protein(s) generated with the energy-function parameters of the preceding iteration are used to optimize the force field in a current iteration. We applied the multiplexing replica exchange molecular dynamics (MREMD) method, recently implemented in UNRES, to generate decoys; with this modification, conformational entropy is taken into account. Moreover, we optimized the free-energy gaps between levels at temperatures corresponding to a predominance of folded or unfolded structures, as well as to structures at the putative folding-transition temperature, changing the sign of the gaps at the transition temperature. This enabled us to obtain force fields characterized by a single peak in the heat capacity at the transition temperature. Furthermore, we introduced temperature dependence to the UNRES force field; this is consistent with the fact that it is a free-energy and not a potential-energy function. PMID:17201450

Simultaneous experimental determination of labile proton fraction ratio and exchange rate with irradiation radio frequency power-dependent quantitative CEST MRI analysis.

PubMed

Sun, Phillip Zhe; Wang, Yu; Xiao, Gang; Wu, Renhua

2013-01-01

Chemical exchange saturation transfer (CEST) imaging is sensitive to dilute proteins/peptides and microenvironmental properties, and has been increasingly evaluated for molecular imaging and in vivo applications. However, the experimentally measured CEST effect depends on the CEST agent concentration, exchange rate and relaxation time. In addition, there may be non-negligible direct radio-frequency (RF) saturation effects, particularly severe for diamagnetic CEST (DIACEST) agents owing to their relatively small chemical shift difference from that of the bulk water resonance. As such, the commonly used asymmetry analysis only provides CEST-weighted information. Recently, it has been shown with numerical simulation that both labile proton concentration and exchange rate can be determined by evaluating the RF power dependence of DIACEST effect. To validate the simulation results, we prepared and imaged two CEST phantoms: a pH phantom of serially titrated pH at a fixed creatine concentration and a concentration phantom of serially varied creatine concentration titrated to the same pH, and solved the labile proton fraction ratio and exchange rate per-pixel. For the concentration phantom, we showed that the labile proton fraction ratio is proportional to the CEST agent concentration with negligible change in the exchange rate. Additionally, we found the exchange rate of the pH phantom is dominantly base-catalyzed with little difference in the labile proton fraction ratio. In summary, our study demonstrated quantitative DIACEST MRI, which remains promising to augment the conventional CEST-weighted MRI analysis. Copyright © 2013 John Wiley & Sons, Ltd.

Topology optimization of thermal fluid flows with an adjoint Lattice Boltzmann Method

NASA Astrophysics Data System (ADS)

Dugast, Florian; Favennec, Yann; Josset, Christophe; Fan, Yilin; Luo, Lingai

2018-07-01

This paper presents an adjoint Lattice Boltzmann Method (LBM) coupled with the Level-Set Method (LSM) for topology optimization of thermal fluid flows. The adjoint-state formulation implies discrete velocity directions in order to take into account the LBM boundary conditions. These boundary conditions are introduced at the beginning of the adjoint-state method as the LBM residuals, so that the adjoint-state boundary conditions can appear directly during the adjoint-state equation formulation. The proposed method is tested with 3 numerical examples concerning thermal fluid flows, but with different objectives: minimization of the mean temperature in the domain, maximization of the heat evacuated by the fluid, and maximization of the heat exchange with heated solid parts. This latter example, treated in several articles, is used to validate our method. In these optimization problems, a limitation of the maximal pressure drop and of the porosity (number of fluid elements) is also applied. The obtained results demonstrate that the method is robust and effective for solving topology optimization of thermal fluid flows.

Adaptive Constrained Optimal Control Design for Data-Based Nonlinear Discrete-Time Systems With Critic-Only Structure.

PubMed

Luo, Biao; Liu, Derong; Wu, Huai-Ning

2018-06-01

Reinforcement learning has proved to be a powerful tool to solve optimal control problems over the past few years. However, the data-based constrained optimal control problem of nonaffine nonlinear discrete-time systems has rarely been studied yet. To solve this problem, an adaptive optimal control approach is developed by using the value iteration-based Q-learning (VIQL) with the critic-only structure. Most of the existing constrained control methods require the use of a certain performance index and only suit for linear or affine nonlinear systems, which is unreasonable in practice. To overcome this problem, the system transformation is first introduced with the general performance index. Then, the constrained optimal control problem is converted to an unconstrained optimal control problem. By introducing the action-state value function, i.e., Q-function, the VIQL algorithm is proposed to learn the optimal Q-function of the data-based unconstrained optimal control problem. The convergence results of the VIQL algorithm are established with an easy-to-realize initial condition . To implement the VIQL algorithm, the critic-only structure is developed, where only one neural network is required to approximate the Q-function. The converged Q-function obtained from the critic-only VIQL method is employed to design the adaptive constrained optimal controller based on the gradient descent scheme. Finally, the effectiveness of the developed adaptive control method is tested on three examples with computer simulation.

Application of Novel Anion-Exchange Blend Membranes (AEBMs) to Vanadium Redox Flow Batteries.

PubMed

Cho, Hyeongrae; Krieg, Henning M; Kerres, Jochen A

2018-06-19

Both cation-exchange membranes and anion-exchange membranes are used as ion conducting membranes in vanadium redox flow batteries (VRFBs). Anion-exchange membranes (AEMs) are applied in vanadium redox flow batteries due to the high blocking property of vanadium ions via the Donnan exclusion effect. In this study, novel anion-exchange blend membranes (AEBMs) were prepared, characterized, and applied in VRFBs. Bromomethylated poly(2,6-dimethyl-1,4-phenylene oxide), poly[(1-(4,4′-diphenylether)-5-oxybenzimidazole)-benzimidazole] (PBI-OO) and sulfonated polyether sulfone polymer were combined to prepare 3-component AEBMs with 1,2,4,5-tetramethylimidazole (TMIm) for quaternization. 3-component AEBMs showed significantly enhanced chemical and mechanical properties compared with those of 2-component AEBMs, resulting in an improved performance in VRFBs. The compositions of the anion-exchange polymers in 3-component AEBMs were systematically varied to optimize the AEBMs for the redox-flow battery application. While the 3-component AEBMs showed comparable efficiencies with Nafion ® 212 membranes, they displayed improved vanadium ions cross-over as was confirmed by open circuit voltage tests and capacity fade tests conducted in VRFBs. In addition, one of the synthesized 3-component AEBM had a superior coulombic efficiency and capacity retention in a charging⁻discharging test over 300 cycles at a current density of 40 mA/cm². It can thus be concluded that 3-component AEBMs are promising candidates for long-term operation in VRFBs.

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

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

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

2000-01-15

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

Optimized anion exchange column isolation of zirconium-89 (89Zr) from yttrium cyclotron target: Method development and implementation on an automated fluidic platform.

PubMed

O'Hara, Matthew J; Murray, Nathaniel J; Carter, Jennifer C; Morrison, Samuel S

2018-04-13

Zirconium-89 ( 89 Zr), produced by the (p, n) reaction from naturally monoisotopic yttrium ( nat Y), is a promising positron emitting isotope for immunoPET imaging. Its long half-life of 78.4 h is sufficient for evaluating slow physiological processes. A prototype automated fluidic system, coupled to on-line and in-line detectors, has been constructed to facilitate development of new 89 Zr purification methodologies. The highly reproducible reagent delivery platform and near-real time monitoring of column effluents allows for efficient method optimization. The separation of Zr from dissolved Y metal targets was evaluated using several anion exchange resins. Each resin was evaluated against its ability to quantitatively capture Zr from a load solution high in dissolved Y. The most appropriate anion exchange resin for this application was identified, and the separation method was optimized. The method is capable of a high Y decontamination factor (>10 5 ) and has been shown to remove Fe, an abundant contaminant in Y foils, from the 89 Zr elution fraction. Finally, the method was evaluated using cyclotron bombarded Y foil targets; the method was shown to achieve >95% recovery of the 89 Zr present in the foils. The anion exchange column method described here is intended to be the first 89 Zr isolation stage in a dual-column purification process. Copyright © 2018 Elsevier B.V. All rights reserved.

Conformational exchange of aromatic side chains characterized by L-optimized TROSY-selected ¹³C CPMG relaxation dispersion.

PubMed

Weininger, Ulrich; Respondek, Michal; Akke, Mikael

2012-09-01

Protein dynamics on the millisecond time scale commonly reflect conformational transitions between distinct functional states. NMR relaxation dispersion experiments have provided important insights into biologically relevant dynamics with site-specific resolution, primarily targeting the protein backbone and methyl-bearing side chains. Aromatic side chains represent attractive probes of protein dynamics because they are over-represented in protein binding interfaces, play critical roles in enzyme catalysis, and form an important part of the core. Here we introduce a method to characterize millisecond conformational exchange of aromatic side chains in selectively (13)C labeled proteins by means of longitudinal- and transverse-relaxation optimized CPMG relaxation dispersion. By monitoring (13)C relaxation in a spin-state selective manner, significant sensitivity enhancement can be achieved in terms of both signal intensity and the relative exchange contribution to transverse relaxation. Further signal enhancement results from optimizing the longitudinal relaxation recovery of the covalently attached (1)H spins. We validated the L-TROSY-CPMG experiment by measuring fast folding-unfolding kinetics of the small protein CspB under native conditions. The determined unfolding rate matches perfectly with previous results from stopped-flow kinetics. The CPMG-derived chemical shift differences between the folded and unfolded states are in excellent agreement with those obtained by urea-dependent chemical shift analysis. The present method enables characterization of conformational exchange involving aromatic side chains and should serve as a valuable complement to methods developed for other types of protein side chains.

An Effective Hybrid Cuckoo Search Algorithm with Improved Shuffled Frog Leaping Algorithm for 0-1 Knapsack Problems

PubMed Central

Wang, Gai-Ge; Feng, Qingjiang; Zhao, Xiang-Jun

2014-01-01

An effective hybrid cuckoo search algorithm (CS) with improved shuffled frog-leaping algorithm (ISFLA) is put forward for solving 0-1 knapsack problem. First of all, with the framework of SFLA, an improved frog-leap operator is designed with the effect of the global optimal information on the frog leaping and information exchange between frog individuals combined with genetic mutation with a small probability. Subsequently, in order to improve the convergence speed and enhance the exploitation ability, a novel CS model is proposed with considering the specific advantages of Lévy flights and frog-leap operator. Furthermore, the greedy transform method is used to repair the infeasible solution and optimize the feasible solution. Finally, numerical simulations are carried out on six different types of 0-1 knapsack instances, and the comparative results have shown the effectiveness of the proposed algorithm and its ability to achieve good quality solutions, which outperforms the binary cuckoo search, the binary differential evolution, and the genetic algorithm. PMID:25404940

Optimized heat exchange in a CO2 de-sublimation process

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

Baxter, Larry; Terrien, Paul; Tessier, Pascal

The present invention is a process for removing carbon dioxide from a compressed gas stream including cooling the compressed gas in a first heat exchanger, introducing the cooled gas into a de-sublimating heat exchanger, thereby producing a first solid carbon dioxide stream and a first carbon dioxide poor gas stream, expanding the carbon dioxide poor gas stream, thereby producing a second solid carbon dioxide stream and a second carbon dioxide poor gas stream, combining the first solid carbon dioxide stream and the second solid carbon dioxide stream, thereby producing a combined solid carbon dioxide stream, and indirectly exchanging heat betweenmore » the combined solid carbon dioxide stream and the compressed gas in the first heat exchanger.« less

Rational design of the exchange-spring permanent magnet.

PubMed

Jiang, J S; Bader, S D

2014-02-12

The development of the optimal exchange-spring permanent magnet balances exchange hardening, magnetization enhancement, and the feasibility of scalable fabrication. These requirements can be met with a rational design of the microstructural characteristics. The magnetization processes in several model exchange-spring structures with different geometries have been analyzed with both micromagnetic simulations and nucleation theory. The multilayer geometry and the soft-cylinders-in-hard-matrix geometry have the highest achievable figure of merit (BH)max, while the soft-spheres-in-hard-matrix geometry has the lowest upper limit for (BH)max. The cylindrical geometry permits the soft phase to be larger and does not require strict size control. Exchange-spring permanent magnets based on the cylindrical geometry may be amenable to scaled-up fabrication.

Techno-economic and thermodynamic analysis of pre-cooling systems at gaseous hydrogen refueling stations

DOE PAGES

Elgowainy, Amgad; Reddi, Krishna; Lee, Dong-Yeon; ...

2017-10-16

In this study, we conducted a techno-economic and thermodynamic analysis of precooling units (PCUs) at hydrogen refueling stations and developed a cost-minimizing design algorithm for the PCU observing the SAE J2601 refueling protocol for T40 stations. In so doing, we identified major factors that affect PCU cost and energy use. The hydrogen precooling energy intensity depends strongly on the station utilization rate, but approaches 0.3 kWh e/kg-H 2 at full utilization. In early fuel cell electric vehicle markets where utilization of the refueling capacity is low, the overhead cooling load (to keep the heat exchanger cold at -40°C) results inmore » significantly high PCU energy intensity because only a small amount of hydrogen is being dispensed. We developed a parameterized precooling energy intensity prediction formula as a function of the ambient temperature and station utilization rate. We also found that the Joule-Thomson effect of the flow control device introduces a significant increase in temperature upstream of the PCU’s heat exchanger (HX), which impacts the PCU design capacity. An optimal PCU (per dispenser, at 35°C HX inlet temperature) consists of a 13-kW refrigerator and a HX with 1400 kg of thermal mass (aluminum), which currently costs $70,000 (uninstalled). Finally, the total (installed) capital and operation cost of PCU at a fully utilized hydrogen refueling station adds $0.50/kg-H 2.« less

Techno-economic and thermodynamic analysis of pre-cooling systems at gaseous hydrogen refueling stations

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

Elgowainy, Amgad; Reddi, Krishna; Lee, Dong-Yeon

In this study, we conducted a techno-economic and thermodynamic analysis of precooling units (PCUs) at hydrogen refueling stations and developed a cost-minimizing design algorithm for the PCU observing the SAE J2601 refueling protocol for T40 stations. In so doing, we identified major factors that affect PCU cost and energy use. The hydrogen precooling energy intensity depends strongly on the station utilization rate, but approaches 0.3 kWh e/kg-H 2 at full utilization. In early fuel cell electric vehicle markets where utilization of the refueling capacity is low, the overhead cooling load (to keep the heat exchanger cold at -40°C) results inmore » significantly high PCU energy intensity because only a small amount of hydrogen is being dispensed. We developed a parameterized precooling energy intensity prediction formula as a function of the ambient temperature and station utilization rate. We also found that the Joule-Thomson effect of the flow control device introduces a significant increase in temperature upstream of the PCU’s heat exchanger (HX), which impacts the PCU design capacity. An optimal PCU (per dispenser, at 35°C HX inlet temperature) consists of a 13-kW refrigerator and a HX with 1400 kg of thermal mass (aluminum), which currently costs $70,000 (uninstalled). Finally, the total (installed) capital and operation cost of PCU at a fully utilized hydrogen refueling station adds $0.50/kg-H 2.« less

Implications of room temperature oxidation on crystal structure and exchange bias effect in Co/CoO nanoparticles

DOE PAGES

Feygenson, Mikhail; Formo, Eric V.; Freeman, Katherine; ...

2015-11-02

In this study, we describe how the exchange bias effect in Co/CoO nanoparticles depends on the size focusing and temperature treatment of precursor Co nanoparticles before oxidation at ambient conditions. By appealing to magnetization, microscopy, neutron and synchrotron x-ray measurements we found that as-synthesized Co nanoparticles readily oxidize in air only after 20 days. The highest exchange bias field of 814 Oe is observed at T = 2K. When the same nanoparticles are centrifuged and annealed at 70 °C in vacuum prior to oxidation, the exchange bias field is increased to 2570 Oe. Annealing of Co nanoparticles in vacuum improvesmore » their crystallinity and prevents complete oxidation, so that Co-core/CoO-shell structure is preserved even after 120 days. The crystal structure of CoO shell in both samples is different from its bulk counterpart. Implications of such distorted CoO shells on exchange bias are discussed. Coating of Co nanoparticles with amorphous silica shell makes them resistant to oxidation, but ultimately modifies the crystal structure of both Co core and SiO 2 shell.« less

System development and early biological tests in NASA's biomass production chamber

NASA Technical Reports Server (NTRS)

Wheeler, R. M.; Mackowiak, C. L.; Dreschel, T. W.; Sager, J. C.; Prince, R. P.; Knott, W. M.; Hinkle, C. R.; Strayer, R. F.

1990-01-01

The Biomass Production Chamber at Kennedy Space Center was constructed to conduct large scale plant growth studies for NASA's CELSS program. Over the past four years, physical systems and computer control software have been continually upgraded and the degree of atmospheric leakage from the chamber has decreased from about 40 to 5 percent of the total volume per day. Early tests conducted with a limited degree of closure showed that total crop (wheat) growth from the best trays was within 80 percent of reported optimal yields for similar light levels. Yields from subsequent tests under more tightly closed conditions have not been as good--up to only 65 percent of optimal yields. Yields appear to have decreased with increasing closure, yet potential problems exist in cultural techniques and further studies are warranted. With the ability to tightly seal the chamber, quantitative data were gathered on CO2 and water exchange rates. Results showed that stand photosynthesis and transpiration reached a peak near 25 days after planting, soon after full vegetative ground cover was established. In the final phase of testing when atmospheric closure was the highest, ethylene gas levels in the chamber rose from about 10 to nearly 120 ppb. Evidence suggests that the ethylene originated from the wheat plants themselves and may have caused an epinastic rolling of the leaves, but no apparent detrimental effects on whole plant function.

A Cluster-Based Dual-Adaptive Topology Control Approach in Wireless Sensor Networks.

PubMed

Gui, Jinsong; Zhou, Kai; Xiong, Naixue

2016-09-25

Multi-Input Multi-Output (MIMO) can improve wireless network performance. Sensors are usually single-antenna devices due to the high hardware complexity and cost, so several sensors are used to form virtual MIMO array, which is a desirable approach to efficiently take advantage of MIMO gains. Also, in large Wireless Sensor Networks (WSNs), clustering can improve the network scalability, which is an effective topology control approach. The existing virtual MIMO-based clustering schemes do not either fully explore the benefits of MIMO or adaptively determine the clustering ranges. Also, clustering mechanism needs to be further improved to enhance the cluster structure life. In this paper, we propose an improved clustering scheme for virtual MIMO-based topology construction (ICV-MIMO), which can determine adaptively not only the inter-cluster transmission modes but also the clustering ranges. Through the rational division of cluster head function and the optimization of cluster head selection criteria and information exchange process, the ICV-MIMO scheme effectively reduces the network energy consumption and improves the lifetime of the cluster structure when compared with the existing typical virtual MIMO-based scheme. Moreover, the message overhead and time complexity are still in the same order of magnitude.

A Cluster-Based Dual-Adaptive Topology Control Approach in Wireless Sensor Networks

PubMed Central

Gui, Jinsong; Zhou, Kai; Xiong, Naixue

2016-01-01

Multi-Input Multi-Output (MIMO) can improve wireless network performance. Sensors are usually single-antenna devices due to the high hardware complexity and cost, so several sensors are used to form virtual MIMO array, which is a desirable approach to efficiently take advantage of MIMO gains. Also, in large Wireless Sensor Networks (WSNs), clustering can improve the network scalability, which is an effective topology control approach. The existing virtual MIMO-based clustering schemes do not either fully explore the benefits of MIMO or adaptively determine the clustering ranges. Also, clustering mechanism needs to be further improved to enhance the cluster structure life. In this paper, we propose an improved clustering scheme for virtual MIMO-based topology construction (ICV-MIMO), which can determine adaptively not only the inter-cluster transmission modes but also the clustering ranges. Through the rational division of cluster head function and the optimization of cluster head selection criteria and information exchange process, the ICV-MIMO scheme effectively reduces the network energy consumption and improves the lifetime of the cluster structure when compared with the existing typical virtual MIMO-based scheme. Moreover, the message overhead and time complexity are still in the same order of magnitude. PMID:27681731

Effect of the raw material type and the reaction time on the synthesis of halloysite based Zeolite Na-P1

NASA Astrophysics Data System (ADS)

Meftah, Mahdi; Oueslati, Walid; Chorfi, Nejmeddine; Ben Haj Amara, Abdesslem

Zeolites are currently one of the most important classes of inorganic materials because of their multiple applications not only as ions exchangers and molecular sieves, but also as catalysts. This works focus the synthesis and the characterization of Zeolite Na-P1 using halloysite (collected near Ain Khemouda, western Tunisia) as the starting material. Two parameters, such as the host materials type (natural or treated) and the reaction time, involved in the synthesis process are investigated. The intermediate phases and final products were characterized by X-ray diffraction, Infrared IR spectroscopy, scanning electron microscopy and high-resolution 29Si and 27Al MAS NMR. Obtained results show that the hydrothermal synthesis from natural and heated-halloysite leads to formation of homogenous Zeolite Na-P1. The difference in the crystallization/transformation time process is explained by the effect of the dissolution rate of the starting materials in sodium hydroxide solution. In the case of heated halloysite, the synthesis reaction with alkali solution occurs very readily and achieved without prior thermal activation at high temperature. The optimal conditions of Zeolite Na-P1 crystallization, from heated-halloysite, are reached at 120 °C.

A Non-Local, Energy-Optimized Kernel: Recovering Second-Order Exchange and Beyond in Extended Systems

NASA Astrophysics Data System (ADS)

Bates, Jefferson; Laricchia, Savio; Ruzsinszky, Adrienn

The Random Phase Approximation (RPA) is quickly becoming a standard method beyond semi-local Density Functional Theory that naturally incorporates weak interactions and eliminates self-interaction error. RPA is not perfect, however, and suffers from self-correlation error as well as an incorrect description of short-ranged correlation typically leading to underbinding. To improve upon RPA we introduce a short-ranged, exchange-like kernel that is one-electron self-correlation free for one and two electron systems in the high-density limit. By tuning the one free parameter in our model to recover an exact limit of the homogeneous electron gas correlation energy we obtain a non-local, energy-optimized kernel that reduces the errors of RPA for both homogeneous and inhomogeneous solids. To reduce the computational cost of the standard kernel-corrected RPA, we also implement RPA renormalized perturbation theory for extended systems, and demonstrate its capability to describe the dominant correlation effects with a low-order expansion in both metallic and non-metallic systems. Furthermore we stress that for norm-conserving implementations the accuracy of RPA and beyond RPA structural properties compared to experiment is inherently limited by the choice of pseudopotential. Current affiliation: King's College London.

Design and Validation of In-Source Atmospheric Pressure Photoionization Hydrogen/Deuterium Exchange Mass Spectrometry with Continuous Feeding of D2O

NASA Astrophysics Data System (ADS)

Acter, Thamina; Lee, Seulgidaun; Cho, Eunji; Jung, Maeng-Joon; Kim, Sunghwan

2018-01-01

In this study, continuous in-source hydrogen/deuterium exchange (HDX) atmospheric pressure photoionization (APPI) mass spectrometry (MS) with continuous feeding of D2O was developed and validated. D2O was continuously fed using a capillary line placed on the center of a metal plate positioned between the UV lamp and nebulizer. The proposed system overcomes the limitations of previously reported APPI HDX-MS approaches where deuterated solvents were premixed with sample solutions before ionization. This is particularly important for APPI because solvent composition can greatly influence ionization efficiency as well as the solubility of analytes. The experimental parameters for APPI HDX-MS with continuous feeding of D2O were optimized, and the optimized conditions were applied for the analysis of nitrogen-, oxygen-, and sulfur-containing compounds. The developed method was also applied for the analysis of the polar fraction of a petroleum sample. Thus, the data presented in this study clearly show that the proposed HDX approach can serve as an effective analytical tool for the structural analysis of complex mixtures. [Figure not available: see fulltext.

Optimal villi density for maximal oxygen uptake in the human placenta.

PubMed

Serov, A S; Salafia, C M; Brownbill, P; Grebenkov, D S; Filoche, M

2015-01-07

We present a stream-tube model of oxygen exchange inside a human placenta functional unit (a placentone). The effect of villi density on oxygen transfer efficiency is assessed by numerically solving the diffusion-convection equation in a 2D+1D geometry for a wide range of villi densities. For each set of physiological parameters, we observe the existence of an optimal villi density providing a maximal oxygen uptake as a trade-off between the incoming oxygen flow and the absorbing villus surface. The predicted optimal villi density 0.47±0.06 is compatible to previous experimental measurements. Several other ways to experimentally validate the model are also proposed. The proposed stream-tube model can serve as a basis for analyzing the efficiency of human placentas, detecting possible pathologies and diagnosing placental health risks for newborns by using routine histology sections collected after birth. Copyright © 2014 Elsevier Ltd. All rights reserved.

Effects of inorganic substances on water splitting in ion-exchange membranes; II. Optimal contents of inorganic substances in preparing bipolar membranes.

PubMed

Kang, Moon-Sung; Choi, Yong-Jin; Moon, Seung-Hyeon

2004-05-15

An approach to enhancing the water-splitting performance of bipolar membranes (BPMs) is introducing an inorganic substance at the bipolar (BP) junction. In this study, the immobilization of inorganic matters (i.e., iron hydroxides and silicon compounds) at the BP junction and the optimum concentration have been investigated. To immobilize these inorganic matters, novel methods (i.e., electrodeposition of the iron hydroxide and processing of the sol-gel to introduce silicon groups at the BP junction) were suggested. At optimal concentrations, the immobilized inorganic matters significantly enhanced the water-splitting fluxes, indicating that they provide alternative paths for water dissociation, but on the other hand possibly reduce the polarization of water molecules between the sulfonic acid and quaternary ammonium groups at high contents. Consequently, the amount of inorganic substances introduced should be optimized to obtain the maximum water splitting in the BPM.

Systematization, condensed description, and prediction of sets of anion exchange extraction constants on the basis of their statistical treatment by computer

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

Mezhov, E.A.; Reimarov, G.A.; Rubisov, V.N.

1987-05-01

On the basis of a statistical treatment of the entire set of published data on anion exchange extraction constants, the authors have refined and expanded the scale of the hydration parameters for the anions ..delta..G/sub hydr/ (the effective free energies of hydration for the anions). The authors have estimated the parameters ..delta..G for 93 anions and the coefficients % for 94 series of extraction systems, which are distinguished within each series only by the nature of the exchanging anions. The series are distinguished from one another by the nature of the cation extraction agent and the diluent.

Report on the BWR owners group radiation protection/ALARA Committee

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

Aldrich, L.R.

1995-03-01

Radiation protection programs at U.S. boiling water reactor (BWR) stations have evolved during the 1980s and early 1990s from a regulatory adherence-based endeavor to a proactive, risk-based radiation protection and prevention mission. The objectives are no longer to merely monitor and document exposure to radiation and radioactive materials. The focus of the current programs is the optimization of radiation protection of occupational workers consistent with the purpose of producing cost-effective electric power. The newly revised 10 CFR 20 defines the term ALARA (as low as reasonably achievable) to take into account the state of technology, the economics of improvements inmore » relation to the state of the technology, and the benefits to the public health and safety. The BWR Owners Group (BWROG) initially formed the Radiation Protection/ALARA Committee in January 1990 to evaluate methods of reducing occupational radiation exposure during refueling outages. Currently, twenty U.S. BWR owner/operators (representing 36 of the operational 37 domestic BWR units), as well as three foreign BWR operators (associate members), have broadened the scope to promote information exchange between BWR radiation protection professionals and develop good practices which will affect optimization of their radiation protection programs. In search of excellence and the challenge of becoming {open_quotes}World Class{close_quotes} performers in radiation protection, the BWROG Radiation Protection/ALARA Committee has recently accepted a role in assisting the member utilities in improving radiation protection performance in a cost-effective manner. This paper will summarize the recent activities of this Committee undertaken to execute their role of exchanging information in pursuit of optimizing the improvement of their collective radiation protection performance.« less

Experimental quantification of the fluid dynamics in blood-processing devices through 4D-flow imaging: A pilot study on a real oxygenator/heat-exchanger module.

PubMed

Piatti, Filippo; Palumbo, Maria Chiara; Consolo, Filippo; Pluchinotta, Francesca; Greiser, Andreas; Sturla, Francesco; Votta, Emiliano; Siryk, Sergii V; Vismara, Riccardo; Fiore, Gianfranco Beniamino; Lombardi, Massimo; Redaelli, Alberto

2018-02-08

The performance of blood-processing devices largely depends on the associated fluid dynamics, which hence represents a key aspect in their design and optimization. To this aim, two approaches are currently adopted: computational fluid-dynamics, which yields highly resolved three-dimensional data but relies on simplifying assumptions, and in vitro experiments, which typically involve the direct video-acquisition of the flow field and provide 2D data only. We propose a novel method that exploits space- and time-resolved magnetic resonance imaging (4D-flow) to quantify the complex 3D flow field in blood-processing devices and to overcome these limitations. We tested our method on a real device that integrates an oxygenator and a heat exchanger. A dedicated mock loop was implemented, and novel 4D-flow sequences with sub-millimetric spatial resolution and region-dependent velocity encodings were defined. Automated in house software was developed to quantify the complex 3D flow field within the different regions of the device: region-dependent flow rates, pressure drops, paths of the working fluid and wall shear stresses were computed. Our analysis highlighted the effects of fine geometrical features of the device on the local fluid-dynamics, which would be unlikely observed by current in vitro approaches. Also, the effects of non-idealities on the flow field distribution were captured, thanks to the absence of the simplifying assumptions that typically characterize numerical models. To the best of our knowledge, our approach is the first of its kind and could be extended to the analysis of a broad range of clinically relevant devices. Copyright © 2017 Elsevier Ltd. All rights reserved.

Characterizing slow chemical exchange in nucleic acids by carbon CEST and low spin-lock field R(1ρ) NMR spectroscopy.

PubMed

Zhao, Bo; Hansen, Alexandar L; Zhang, Qi

2014-01-08

Quantitative characterization of dynamic exchange between various conformational states provides essential insights into the molecular basis of many regulatory RNA functions. Here, we present an application of nucleic-acid-optimized carbon chemical exchange saturation transfer (CEST) and low spin-lock field R(1ρ) relaxation dispersion (RD) NMR experiments in characterizing slow chemical exchange in nucleic acids that is otherwise difficult if not impossible to be quantified by the ZZ-exchange NMR experiment. We demonstrated the application on a 47-nucleotide fluoride riboswitch in the ligand-free state, for which CEST and R(1ρ) RD profiles of base and sugar carbons revealed slow exchange dynamics involving a sparsely populated (p ~ 10%) and shortly lived (τ ~ 10 ms) NMR "invisible" state. The utility of CEST and low spin-lock field R(1ρ) RD experiments in studying slow exchange was further validated in characterizing an exchange as slow as ~60 s(-1).

Characterizing Slow Chemical Exchange in Nucleic Acids by Carbon CEST and Low Spin-Lock Field R1ρ NMR Spectroscopy

PubMed Central

Zhao, Bo; Hansen, Alexandar L.; Zhang, Qi

2016-01-01

Quantitative characterization of dynamic exchange between various conformational states provides essential insights into the molecular basis of many regulatory RNA functions. Here, we present an application of nucleic-acid-optimized carbon chemical exchange saturation transfer (CEST) and low spin-lock field R1ρ relaxation dispersion (RD) NMR experiments in characterizing slow chemical exchange in nucleic acids that is otherwise difficult if not impossible to be quantified by the ZZ-exchange NMR experiment. We demonstrated the application on a 47-nucleotide fluoride riboswitch in the ligand-free state, for which CEST and R1ρ RD profiles of base and sugar carbons revealed slow exchange dynamics involving a sparsely populated (p ~ 10%) and shortly lived (τ ~ 10 ms) NMR “invisible” state. The utility of CEST and low spin-lock field R1ρ RD experiments in studying slow exchange was further validated in characterizing an exchange as slow as ~60 s−1. PMID:24299272

Bronchial lumen is the safer route for an airway exchange catheter in double-lumen tube replacement: preventable complication in airway management for thoracic surgery.

PubMed

Wu, Hsiang-Ling; Tai, Ying-Hsuan; Wei, Ling-Fang; Cheng, Hung-Wei; Ho, Chiu-Ming

2017-10-01

There is no current consensus on which lumen an airway exchange catheter (AEC) should be passed through in double-lumen endotracheal tube (DLT) to exchange for a single-lumen endotracheal tube (SLT) after thoracic surgery. We report an unusual case to provide possible solution on this issue. A 71-year-old man with lung adenocarcinoma had an event of a broken exchange catheter used during a DLT replacement with a SLT, after a video-assisted thoracic surgery. The exchange catheter was impinged at the distal tracheal lumen and snapped during manipulation. All three segments of the catheter were retrieved without further airway compromises. Placement of airway tube exchanger into the tracheal lumen of double-lumen tube is a potential contributing factor of the unusual complication. We suggest an exchange catheter be inserted into the bronchial lumen in optimal depth with the adjunct of video laryngoscope, as the safe method for double-lumen tube exchange.

Fuel management optimization using genetic algorithms and expert knowledge

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

DeChaine, M.D.; Feltus, M.A.

1996-09-01

The CIGARO fuel management optimization code based on genetic algorithms is described and tested. The test problem optimized the core lifetime for a pressurized water reactor with a penalty function constraint on the peak normalized power. A bit-string genotype encoded the loading patterns, and genotype bias was reduced with additional bits. Expert knowledge about fuel management was incorporated into the genetic algorithm. Regional crossover exchanged physically adjacent fuel assemblies and improved the optimization slightly. Biasing the initial population toward a known priority table significantly improved the optimization.

Effects of aspirin in combination with EPA and DHA on HDL-C cholesterol and ApoA1 exchange in individuals with type 2 diabetes mellitus.

PubMed

Block, Robert C; Holub, Ashley; Abdolahi, Amir; Tu, Xin M; Mousa, Shaker A; Oda, Michael N

2017-11-01

Low-dose aspirin is an effective drug for the prevention of cardiovascular disease (CVD) events but individuals with diabetes mellitus can be subject to 'aspirin resistance'. Thus, aspirin's effect in these individuals is controversial. Higher blood levels of seafood-derived omega-3 polyunsaturated fatty acids (ω3) eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA) also have beneficial effects in reducing risk of CVD events but few studies have examined the interaction of plasma EPA and DHA with aspirin ingestion. Our study examined the combinatory effects of EPA, DHA, and aspirin ingestion on HDL-cholesterol (HDL-C) and apoA-I exchange (shown to be associated with CVD event risk). 30 adults with Type 2 diabetes mellitus ingested aspirin (81mg/day) for 7 consecutive days, EPA+DHA (2.6g/day) for 28 days, then both for 7 days. Plasma was collected at baseline and at 5 subsequent visits including 4h after each aspirin ingestion. Mixed model methods were used to determine HDL-C-concentrations and apoA-I exchange compared to the baseline visit values. LOWESS curves were used for non-linear analyses of outcomes to help discern change patterns, which was followed by piecewise linear functions for formal testing of curvilinear relationships. Significant changes (p < 0.05) compared to baseline in both HDL-C-concentrations and apoA-I exchange were present at different times. After 7 days of aspirin-only ingestion, apoA-I exchange was significantly modified by increasing levels of DHA concentration, with increased apoA-I exchange observed up until log(DHA) of 4.6 and decreased exchange thereafter (p = 0.03). These LOWESS curve effects were not observed for EPA or HDL-C (p > 0.05). Aspirin's effects on apoA-I exchange were the greatest when EPA or DHA concentrations were moderate compared to high or low. Comparison of EPA, DHA, and EPA+DHA LOWESS curves, demonstrated that the majority of the effect is due to DHA. Our results strongly suggest that plasma concentrations of EPA and DHA influence aspirin effects on lipid mediators of CVD event risk where their concentrations are most beneficial when moderate, not high or low. These effects on HDL-C cholesterol and apoA-I exchange are novel. Personalized dosing of DHA in those who take aspirin may be a beneficial option for patients with type 2 diabetes mellitus. Copyright © 2017 Elsevier Ltd. All rights reserved.

Water Uptake Performance of Hygroscopic Heat and Moisture Exchangers after 24-Hour Tracheostoma Application.

PubMed

van den Boer, Cindy; Vas Nunes, Jonathan H; Muller, Sara H; van der Noort, Vincent; van den Brekel, Michiel W M; Hilgers, Frans J M

2014-06-01

After total laryngectomy, patients suffer from pulmonary complaints due to the shortcut of the upper airways that results in decreased warming and humidification of inspired air. Laryngectomized patients are advised to use a heat and moisture exchanger (HME) to optimize the inspired air. According to manufacturers' guidelines, these medical devices should be replaced every 24 hours. The aim of this study is to determine whether HMEs still function after 24-hour tracheostoma application. Assessment of residual water uptake capacity of used HMEs by measuring the difference between wet and dry core weight. Tertiary comprehensive cancer center. Three hygroscopic HME types were tested after use by laryngectomized patients in long-term follow-up. Water uptake of 41 used devices (including 10 prematurely replaced devices) was compared with that of control (unused) devices of the same type and with a control device with a relatively low performance. After 24 hours, the mean water uptake of the 3 device types had decreased compared with that of the control devices. For only one type was this difference significant. None of the used HMEs had a water uptake lower than that of the low-performing control device. The water uptake capacity of hygroscopic HEMs is clinically acceptable although no longer optimal after 24-hour tracheostoma application. From a functional point of view, the guideline for daily device replacement is therefore justified. © American Academy of Otolaryngology—Head and Neck Surgery Foundation 2014.

A density difference based analysis of orbital-dependent exchange-correlation functionals

NASA Astrophysics Data System (ADS)

Grabowski, Ireneusz; Teale, Andrew M.; Fabiano, Eduardo; Śmiga, Szymon; Buksztel, Adam; Della Sala, Fabio

2014-03-01

We present a density difference based analysis for a range of orbital-dependent Kohn-Sham functionals. Results for atoms, some members of the neon isoelectronic series and small molecules are reported and compared with ab initio wave function calculations. Particular attention is paid to the quality of approximations to the exchange-only optimised effective potential (OEP) approach: we consider both the localised Hartree-Fock as well as the Krieger-Li-Iafrate methods. Analysis of density differences at the exchange-only level reveals the impact of the approximations on the resulting electronic densities. These differences are further quantified in terms of the ground state energies, frontier orbital energy differences and highest occupied orbital energies obtained. At the correlated level, an OEP approach based on a perturbative second-order correlation energy expression is shown to deliver results comparable with those from traditional wave function approaches, making it suitable for use as a benchmark against which to compare standard density functional approximations.

Optimal Design of Multitype Groundwater Monitoring Networks Using Easily Accessible Tools.

PubMed

Wöhling, Thomas; Geiges, Andreas; Nowak, Wolfgang

2016-11-01

Monitoring networks are expensive to establish and to maintain. In this paper, we extend an existing data-worth estimation method from the suite of PEST utilities with a global optimization method for optimal sensor placement (called optimal design) in groundwater monitoring networks. Design optimization can include multiple simultaneous sensor locations and multiple sensor types. Both location and sensor type are treated simultaneously as decision variables. Our method combines linear uncertainty quantification and a modified genetic algorithm for discrete multilocation, multitype search. The efficiency of the global optimization is enhanced by an archive of past samples and parallel computing. We demonstrate our methodology for a groundwater monitoring network at the Steinlach experimental site, south-western Germany, which has been established to monitor river-groundwater exchange processes. The target of optimization is the best possible exploration for minimum variance in predicting the mean travel time of the hyporheic exchange. Our results demonstrate that the information gain of monitoring network designs can be explored efficiently and with easily accessible tools prior to taking new field measurements or installing additional measurement points. The proposed methods proved to be efficient and can be applied for model-based optimal design of any type of monitoring network in approximately linear systems. Our key contributions are (1) the use of easy-to-implement tools for an otherwise complex task and (2) yet to consider data-worth interdependencies in simultaneous optimization of multiple sensor locations and sensor types. © 2016, National Ground Water Association.

A Novel Strategy Using Factor Graphs and the Sum-Product Algorithm for Satellite Broadcast Scheduling Problems

NASA Astrophysics Data System (ADS)

Chen, Jung-Chieh

This paper presents a low complexity algorithmic framework for finding a broadcasting schedule in a low-altitude satellite system, i. e., the satellite broadcast scheduling (SBS) problem, based on the recent modeling and computational methodology of factor graphs. Inspired by the huge success of the low density parity check (LDPC) codes in the field of error control coding, in this paper, we transform the SBS problem into an LDPC-like problem through a factor graph instead of using the conventional neural network approaches to solve the SBS problem. Based on a factor graph framework, the soft-information, describing the probability that each satellite will broadcast information to a terminal at a specific time slot, is exchanged among the local processing in the proposed framework via the sum-product algorithm to iteratively optimize the satellite broadcasting schedule. Numerical results show that the proposed approach not only can obtain optimal solution but also enjoys the low complexity suitable for integral-circuit implementation.

Design and Optimization of Coin-Shaped Microreactor Chips for PET Radiopharmaceutical Synthesis

PubMed Central

Elizarov, Arkadij M.; van Dam, R. Michael; Shin, Young Shik; Kolb, Hartmuth C.; Padgett, Henry C.; Stout, David; Shu, Jenny; Huang, Jiang; Daridon, Antoine; Heath, James R.

2010-01-01

An integrated elastomeric microfluidic device, with a footprint the size of a postage stamp, has been designed and optimized for multistep radiosynthesis of PET tracers. Methods The unique architecture of the device is centered around a 5-μL coin-shaped reactor, which yields reaction efficiency and speed from a combination of high reagent concentration, pressurized reactions, and rapid heat and mass transfer. Its novel features facilitate mixing, solvent exchange, and product collection. New mixing mechanisms assisted by vacuum, pressure, and chemical reactions are exploited. Results The architecture of the reported reactor is the first that has allowed batch-mode microfluidic devices to produce radiopharmaceuticals of sufficient quality and quantity to be validated by in vivo imaging. Conclusion The reactor has the potential to produce multiple human doses of 18F-FDG; the most impact, however, is expected in the synthesis of PET radiopharmaceuticals that can be made only with low yields by currently available equipment. PMID:20124050

Anomalous temperature dependence of training effect in specular spin valve using ultrathin Cr2O3-nano-oxide layer with magnetoelectric effect

NASA Astrophysics Data System (ADS)

Sawada, Kazuya; Shimomura, Naoki; Doi, Masaaki; Sahashi, Masashi

2010-05-01

Exchange bias from antiferromagnetic (AFM) oxides with a magnetoelectric (ME) effect has been studied for controlling ferromagnetic (FM) magnetizations by an applying electric field. However, thick ME oxides are needed for realizing the electrically controlled exchange biasing. Therefore, in this study the temperature dependencies of the training effect for the Cr2O3-nano-oxide-layer (NOL) are investigated for confirming the ME effect of the Cr2O3-NOL. The anomalous temperature tendencies of system dependent constant for exchange bias and magnetoresistance (MR), κHex and κMR, were observed, which are probably originated from the ME effect of the Cr2O3-NOL because (1) these anomalous temperature tendencies could not be obtained in the CoO-NOL spin valve and (2) the κHex and κMR are defined as the strength of the coupling between FM and AFM spins. It is remarkable result for us to confirm the possibility of the ME effect from the ultrathin Cr2O3 layer (less than 1 nm) because the ME effect was observed in only thick ME materials.

Fuzzy forecasting based on two-factors second-order fuzzy-trend logical relationship groups and particle swarm optimization techniques.

PubMed

Chen, Shyi-Ming; Manalu, Gandhi Maruli Tua; Pan, Jeng-Shyang; Liu, Hsiang-Chuan

2013-06-01

In this paper, we present a new method for fuzzy forecasting based on two-factors second-order fuzzy-trend logical relationship groups and particle swarm optimization (PSO) techniques. First, we fuzzify the historical training data of the main factor and the secondary factor, respectively, to form two-factors second-order fuzzy logical relationships. Then, we group the two-factors second-order fuzzy logical relationships into two-factors second-order fuzzy-trend logical relationship groups. Then, we obtain the optimal weighting vector for each fuzzy-trend logical relationship group by using PSO techniques to perform the forecasting. We also apply the proposed method to forecast the Taiwan Stock Exchange Capitalization Weighted Stock Index and the NTD/USD exchange rates. The experimental results show that the proposed method gets better forecasting performance than the existing methods.

Relabeling exchange method (REM) for learning in neural networks

NASA Astrophysics Data System (ADS)

Wu, Wen; Mammone, Richard J.

1994-02-01

The supervised training of neural networks require the use of output labels which are usually arbitrarily assigned. In this paper it is shown that there is a significant difference in the rms error of learning when `optimal' label assignment schemes are used. We have investigated two efficient random search algorithms to solve the relabeling problem: the simulated annealing and the genetic algorithm. However, we found them to be computationally expensive. Therefore we shall introduce a new heuristic algorithm called the Relabeling Exchange Method (REM) which is computationally more attractive and produces optimal performance. REM has been used to organize the optimal structure for multi-layered perceptrons and neural tree networks. The method is a general one and can be implemented as a modification to standard training algorithms. The motivation of the new relabeling strategy is based on the present interpretation of dyslexia as an encoding problem.

76 FR 77859 - Self-Regulatory Organizations; NYSE Arca, Inc.; Notice of Filing and Immediate Effectiveness of...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-12-14

... only be applicable to PSOs that remove liquidity from the NYSE and that a PSO that provides liquidity...(kk). A PSO is a Primary Only (``PO'') Order that initially sweeps the Exchange's Book before being routed to the security's primary market. \\11\\ In limited circumstances where a PSO in a Tape A security...

Breakdown of the single-exchange approximation in third-order symmetry-adapted perturbation theory.

PubMed

Lao, Ka Un; Herbert, John M

2012-03-22

We report third-order symmetry-adapted perturbation theory (SAPT) calculations for several dimers whose intermolecular interactions are dominated by induction. We demonstrate that the single-exchange approximation (SEA) employed to derive the third-order exchange-induction correction (E(exch-ind)((30))) fails to quench the attractive nature of the third-order induction (E(ind)((30))), leading to one-dimensional potential curves that become attractive rather than repulsive at short intermolecular separations. A scaling equation for (E(exch-ind)((30))), based on an exact formula for the first-order exchange correction, is introduced to approximate exchange effects beyond the SEA, and qualitatively correct potential energy curves that include third-order induction are thereby obtained. For induction-dominated systems, our results indicate that a "hybrid" SAPT approach, in which a dimer Hartree-Fock calculation is performed in order to obtain a correction for higher-order induction, is necessary not only to obtain quantitative binding energies but also to obtain qualitatively correct potential energy surfaces. These results underscore the need to develop higher-order exchange-induction formulas that go beyond the SEA. © 2012 American Chemical Society

Optimal Scaling of Interaction Effects in Generalized Linear Models

ERIC Educational Resources Information Center

van Rosmalen, Joost; Koning, Alex J.; Groenen, Patrick J. F.

2009-01-01

Multiplicative interaction models, such as Goodman's (1981) RC(M) association models, can be a useful tool for analyzing the content of interaction effects. However, most models for interaction effects are suitable only for data sets with two or three predictor variables. Here, we discuss an optimal scaling model for analyzing the content of…

Recent Experiences in Multidisciplinary Analysis and Optimization, part 2

NASA Technical Reports Server (NTRS)

Sobieski, J. (Compiler)

1984-01-01

The papers presented at the NASA Symposium on Recent Experiences in Multidisciplinary Analysis and Optimization held at NASA Langley Research Center, Hampton, Virginia, April 24 to 26, 1984 are given. The purposes of the symposium were to exchange information about the status of the application of optimization and the associated analyses in industry or research laboratories to real life problems and to examine the directions of future developments.

Thermal optimality of net ecosystem exchange of carbon dioxide and underlying mechanisms.

PubMed

Niu, Shuli; Luo, Yiqi; Fei, Shenfeng; Yuan, Wenping; Schimel, David; Law, Beverly E; Ammann, Christof; Arain, M Altaf; Arneth, Almut; Aubinet, Marc; Barr, Alan; Beringer, Jason; Bernhofer, Christian; Black, T Andrew; Buchmann, Nina; Cescatti, Alessandro; Chen, Jiquan; Davis, Kenneth J; Dellwik, Ebba; Desai, Ankur R; Etzold, Sophia; Francois, Louis; Gianelle, Damiano; Gielen, Bert; Goldstein, Allen; Groenendijk, Margriet; Gu, Lianhong; Hanan, Niall; Helfter, Carole; Hirano, Takashi; Hollinger, David Y; Jones, Mike B; Kiely, Gerard; Kolb, Thomas E; Kutsch, Werner L; Lafleur, Peter; Lawrence, David M; Li, Linghao; Lindroth, Anders; Litvak, Marcy; Loustau, Denis; Lund, Magnus; Marek, Michal; Martin, Timothy A; Matteucci, Giorgio; Migliavacca, Mirco; Montagnani, Leonardo; Moors, Eddy; Munger, J William; Noormets, Asko; Oechel, Walter; Olejnik, Janusz; Kyaw Tha Paw U; Pilegaard, Kim; Rambal, Serge; Raschi, Antonio; Scott, Russell L; Seufert, Günther; Spano, Donatella; Stoy, Paul; Sutton, Mark A; Varlagin, Andrej; Vesala, Timo; Weng, Ensheng; Wohlfahrt, Georg; Yang, Bai; Zhang, Zhongda; Zhou, Xuhui

2012-05-01

• It is well established that individual organisms can acclimate and adapt to temperature to optimize their functioning. However, thermal optimization of ecosystems, as an assemblage of organisms, has not been examined at broad spatial and temporal scales. • Here, we compiled data from 169 globally distributed sites of eddy covariance and quantified the temperature response functions of net ecosystem exchange (NEE), an ecosystem-level property, to determine whether NEE shows thermal optimality and to explore the underlying mechanisms. • We found that the temperature response of NEE followed a peak curve, with the optimum temperature (corresponding to the maximum magnitude of NEE) being positively correlated with annual mean temperature over years and across sites. Shifts of the optimum temperature of NEE were mostly a result of temperature acclimation of gross primary productivity (upward shift of optimum temperature) rather than changes in the temperature sensitivity of ecosystem respiration. • Ecosystem-level thermal optimality is a newly revealed ecosystem property, presumably reflecting associated evolutionary adaptation of organisms within ecosystems, and has the potential to significantly regulate ecosystem-climate change feedbacks. The thermal optimality of NEE has implications for understanding fundamental properties of ecosystems in changing environments and benchmarking global models. © 2012 The Authors. New Phytologist © 2012 New Phytologist Trust.

Nature of the Interlayer Environment in an Organoclay Optimized for the Sequestration of Dibenzo-p-dioxin

EPA Science Inventory

A Na-smectite clay (Na-SWy-2) was exchanged with various amounts of dimethyldioctadecylammonium bromide (DODA-Br) up to twice the cation exchange capacity (CEC). The organoclay (DODA - SWy-2) with DODA-Br added at 2 X CEC exhibited a maximum 4.2 nm d-spacing and a 31.4% c...

Microwave assisted esterification of acidified oil from waste cooking oil by CERP/PES catalytic membrane for biodiesel production.

PubMed

Zhang, Honglei; Ding, Jincheng; Zhao, Zengdian

2012-11-01

The traditional heating and microwave assisted method for biodiesel production using cation ion-exchange resin particles (CERP)/PES catalytic membrane were comparatively studied to achieve economic and effective method for utilization of free fatty acids (FFAs) from waste cooking oil (WCO). The optimal esterification conditions of the two methods were investigated and the experimental results showed that microwave irradiation exhibited a remarkable enhanced effect for esterification compared with that of traditional heating method. The FFAs conversion of microwave assisted esterification reached 97.4% under the optimal conditions of reaction temperature 60°C, methanol/acidified oil mass ratio 2.0:1, catalytic membrane (annealed at 120°C) loading 3g, microwave power 360W and reaction time 90min. The study results showed that it is a fast, easy and green way to produce biodiesel applying microwave irradiation. Copyright © 2012 Elsevier Ltd. All rights reserved.

Optimization and application of atmospheric pressure chemical and photoionization hydrogen-deuterium exchange mass spectrometry for speciation of oxygen-containing compounds.

PubMed

Acter, Thamina; Kim, Donghwi; Ahmed, Arif; Jin, Jang Mi; Yim, Un Hyuk; Shim, Won Joon; Kim, Young Hwan; Kim, Sunghwan

2016-05-01

This paper presents a detailed investigation of the feasibility of optimized positive and negative atmospheric pressure chemical ionization (APCI) mass spectrometry (MS) and atmospheric pressure photoionization (APPI) MS coupled to hydrogen-deuterium exchange (HDX) for structural assignment of diverse oxygen-containing compounds. The important parameters for optimization of HDX MS were characterized. The optimized techniques employed in the positive and negative modes showed satisfactory HDX product ions for the model compounds when dichloromethane and toluene were employed as a co-solvent in APCI- and APPI-HDX, respectively. The evaluation of the mass spectra obtained from 38 oxygen-containing compounds demonstrated that the extent of the HDX of the ions was structure-dependent. The combination of information provided by different ionization techniques could be used for better speciation of oxygen-containing compounds. For example, (+) APPI-HDX is sensitive to compounds with alcohol, ketone, or aldehyde substituents, while (-) APPI-HDX is sensitive to compounds with carboxylic functional groups. In addition, the compounds with alcohol can be distinguished from other compounds by the presence of exchanged peaks. The combined information was applied to study chemical compositions of degraded oils. The HDX pattern, double bond equivalent (DBE) distribution, and previously reported oxidation products were combined to predict structures of the compounds produced from oxidation of oil. Overall, this study shows that APCI- and APPI-HDX MS are useful experimental techniques that can be applied for the structural analysis of oxygen-containing compounds.

Optimized norm-conserving Hartree-Fock pseudopotentials

NASA Astrophysics Data System (ADS)

Walter, Eric J.; Al-Saidi, Wissam A.

2006-03-01

We report soft Hartree-Fock based pseudopotentials obtained using the optimized pseudopotential method. The spurious long range tail due to the non locality of the exchange potential is removed using a self-consistent damping mechanism as employed in exact exchange and recent Hartree-Fock pseudopotentials. The binding energies of several dimers computed using these pseudopotentials within a planewave Hartree-Fock code show good agreement with all-electron results. A. M. Rappe, K. M. Rabe, E. Kaxiras, and J. D. Joannopoulos, Phys. Rev. B 41, 1227 (1990). E. Engel, A. Höck, R. N. Schmid, R. M. Dreizler, and N. Chetty, Phys. Rev. B 64, 125111 (2001). J.R. Trail and R. J. Needs, J. Chem. Phys. 122, 014112 (2005).

Effects of electron beam irradiation and temperature on the treatment of swine wastewater using an ion exchange biological reactor.

PubMed

Lim, Seung Joo; Kim, Tak-Hyun; Lee, Sang-hun; Kim, Jun-young; Kim, Sun-kyoung

2013-06-01

Swine wastewater was treated using an ion exchange biological reactor (IEBR). Organic matter and nutrient in swine wastewater were pre-treated by electron beam irradiation. The optimal dose for solubilization of organic matter in swine wastewater ranged from 20 kGy to 75 kGy. The carbohydrates, proteins, and lipids were investigated as proteins and lipids mainly contained the solubilized organic matter. The solubilization of organic matter in swine wastewater was affected by the combination effects of temperature and dose. The maximum chemical oxygen demand (COD) and ammonia removal efficiencies were 74.4% and 76.7% at a dose of 0 kGy under room temperatures (23.0°C). The removal of ammonia was significantly affected by low temperature (15.3°C). On the other hand, the removal of phosphorus was not a function of electron beam irradiation or temperature because struvite is one of the main removal mechanisms under anoxic conditions. Published by Elsevier Ltd.

Long-Term Effects of PECS on Social-Communicative Skills of Children with Autism Spectrum Disorders: A Follow-Up Study

ERIC Educational Resources Information Center

Lerna, Anna; Esposito, Dalila; Conson, Massimiliano; Massagli, Angelo

2014-01-01

Background: The Picture Exchange Communication System (PECS) is a popular augmentative communication system frequently used with "nonverbal" children with autism. Several studies suggested that PECS could represent an effective tool for promoting improvement of several social-communicative skills. Only sparse evidence is instead…

Double proton transfer in the complex of acetic acid with methanol: Theory versus experiment

NASA Astrophysics Data System (ADS)

Fernández-Ramos, Antonio; Smedarchina, Zorka; Rodríguez-Otero, Jesús

2001-01-01

To test the approximate instanton approach to intermolecular proton-transfer dynamics, we report multidimensional ab initio bimolecular rate constants of HH, HD, and DD exchange in the complex of acetic acid with methanol in tetrahydrofuran-d8, and compare them with the NMR (nuclear magnetic resonance) experiments of Gerritzen and Limbach. The bimolecular rate constants are evaluated as products of the exchange rates and the equilibrium rate constants of complex formation in solution. The two molecules form hydrogen-bond bridges and the exchange occurs via concerted transfer of two protons. The dynamics of this transfer is evaluated in the complete space of 36 vibrational degrees of freedom. The geometries of the two isolated molecules, the complex, and the transition states corresponding to double proton transfer are fully optimized at QCISD (quadratic configuration interaction including single and double substitutions) level of theory, and the normal-mode frequencies are calculated at MP2 (Møller-Plesset perturbation theory of second order) level with the 6-31G (d,p) basis set. The presence of the solvent is taken into account via single-point calculations over the gas phase geometries with the PCM (polarized continuum model). The proton exchange rate constants, calculated with the instanton method, show the effect of the structure and strength of the hydrogen bonds, reflected in the coupling between the tunneling motion and the other vibrations of the complex. Comparison with experiment, which shows substantial kinetic isotopic effects (KIE), indicates that tunneling prevails over classic exchange for the whole temperature range of observation. The unusual behavior of the experimental KIE upon single and double deuterium substitution is well reproduced and is related to the synchronicity of two-atom tunneling.

Selective removal of arsenate from drinking water using a polymeric ligand exchanger.

PubMed

An, Byungryul; Steinwinder, Thomas R; Zhao, Dongye

2005-12-01

The new maximum contaminant level (MCL) of 10 microg/L for arsenic in the US drinking water will take effect on January 22, 2006. The compliance cost is estimated to be approximately dollar 600 million per year using current treatment technologies. This research aims to develop an innovative ion exchange process that may help water utilities comply with the new MCL in a more cost-effective manner. A polymeric ligand exchanger (PLE) was prepared by loading Cu2+ to a commercially available chelating ion exchange resin. Results from batch and column experiments indicated that the PLE offered unusually high selectivity for arsenate over other ubiquitous anions such as sulfate, bicarbonate and chloride. The average binary arsenate/sulfate separation factor for the PLE was determined to be 12, which were over two orders of magnitude greater than that (0.1-0.2) for commercial strong-base anion (SBA) exchangers. Because of the enhanced arsenate selectivity, the PLE was able to treat approximately 10 times more bed volumes (BVs) of water than commonly used SBA resins. The PLE can operate optimally in the neutral pH range (6.0-8.0). The exhausted PLE can be regenerated highly efficiently. More than 95% arsenate capacity can be recovered using approximately 22 BVs of 4% (w/w) NaCl at pH 9.1, and the regenerated PLE can be reused without any capacity drop. Upon treatment using FeCl3, the spent brine was recovered and reused for regeneration, which may cut down the regenerant need and reduces the volume of process waste residuals. The PLE can be used as a highly selective and reusable sorbent for removal of arsenate from drinking water.

Enhanced giant magnetoimpedance in heterogeneous nanobrush

PubMed Central

2012-01-01

A highly sensitive and large working range giant magnetoimpedance (GMI) effect is found in the novel nanostructure: nanobrush. The nanostructure is composed of a soft magnetic nanofilm and a nanowire array, respectively fabricated by RF magnetron sputtering and electrochemical deposition. The optimal GMI ratio of nanobrush is promoted to more than 250%, higher than the pure FeNi film and some sandwich structures at low frequency. The design of this structure is based on the vortex distribution of magnetic moments in thin film, and it can be induced by the exchange coupling effect between the interfaces of nanobrush. PMID:22963551

Self-consistent implementation of meta-GGA functionals for the ONETEP linear-scaling electronic structure package.

PubMed

Womack, James C; Mardirossian, Narbe; Head-Gordon, Martin; Skylaris, Chris-Kriton

2016-11-28

Accurate and computationally efficient exchange-correlation functionals are critical to the successful application of linear-scaling density functional theory (DFT). Local and semi-local functionals of the density are naturally compatible with linear-scaling approaches, having a general form which assumes the locality of electronic interactions and which can be efficiently evaluated by numerical quadrature. Presently, the most sophisticated and flexible semi-local functionals are members of the meta-generalized-gradient approximation (meta-GGA) family, and depend upon the kinetic energy density, τ, in addition to the charge density and its gradient. In order to extend the theoretical and computational advantages of τ-dependent meta-GGA functionals to large-scale DFT calculations on thousands of atoms, we have implemented support for τ-dependent meta-GGA functionals in the ONETEP program. In this paper we lay out the theoretical innovations necessary to implement τ-dependent meta-GGA functionals within ONETEP's linear-scaling formalism. We present expressions for the gradient of the τ-dependent exchange-correlation energy, necessary for direct energy minimization. We also derive the forms of the τ-dependent exchange-correlation potential and kinetic energy density in terms of the strictly localized, self-consistently optimized orbitals used by ONETEP. To validate the numerical accuracy of our self-consistent meta-GGA implementation, we performed calculations using the B97M-V and PKZB meta-GGAs on a variety of small molecules. Using only a minimal basis set of self-consistently optimized local orbitals, we obtain energies in excellent agreement with large basis set calculations performed using other codes. Finally, to establish the linear-scaling computational cost and applicability of our approach to large-scale calculations, we present the outcome of self-consistent meta-GGA calculations on amyloid fibrils of increasing size, up to tens of thousands of atoms.

Self-consistent implementation of meta-GGA functionals for the ONETEP linear-scaling electronic structure package

NASA Astrophysics Data System (ADS)

Womack, James C.; Mardirossian, Narbe; Head-Gordon, Martin; Skylaris, Chris-Kriton

2016-11-01

Accurate and computationally efficient exchange-correlation functionals are critical to the successful application of linear-scaling density functional theory (DFT). Local and semi-local functionals of the density are naturally compatible with linear-scaling approaches, having a general form which assumes the locality of electronic interactions and which can be efficiently evaluated by numerical quadrature. Presently, the most sophisticated and flexible semi-local functionals are members of the meta-generalized-gradient approximation (meta-GGA) family, and depend upon the kinetic energy density, τ, in addition to the charge density and its gradient. In order to extend the theoretical and computational advantages of τ-dependent meta-GGA functionals to large-scale DFT calculations on thousands of atoms, we have implemented support for τ-dependent meta-GGA functionals in the ONETEP program. In this paper we lay out the theoretical innovations necessary to implement τ-dependent meta-GGA functionals within ONETEP's linear-scaling formalism. We present expressions for the gradient of the τ-dependent exchange-correlation energy, necessary for direct energy minimization. We also derive the forms of the τ-dependent exchange-correlation potential and kinetic energy density in terms of the strictly localized, self-consistently optimized orbitals used by ONETEP. To validate the numerical accuracy of our self-consistent meta-GGA implementation, we performed calculations using the B97M-V and PKZB meta-GGAs on a variety of small molecules. Using only a minimal basis set of self-consistently optimized local orbitals, we obtain energies in excellent agreement with large basis set calculations performed using other codes. Finally, to establish the linear-scaling computational cost and applicability of our approach to large-scale calculations, we present the outcome of self-consistent meta-GGA calculations on amyloid fibrils of increasing size, up to tens of thousands of atoms.

Simulation of Canopy CO2/H2O Fluxes for a Rubber (Hevea Brasiliensis) Plantation in Central Cambodia: The Effect of the Regular Spacing of Planted Trees

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

Kumagai, Tomo'omi; Mudd, Ryan; Miyazawa, Yoshiyuki

We developed a soil-vegetation-atmosphere transfer (SVAT) model applicable to simulating CO2 and H2O fluxes from the canopies of rubber plantations, which are characterized by distinct canopy clumping produced by regular spacing of plantation trees. Rubber (Hevea brasiliensis Müll. Arg.) plantations, which are rapidly expanding into both climatically optimal and sub-optimal environments throughout mainland Southeast Asia, potentially change the partitioning of water, energy, and carbon at multiple scales, compared with traditional land covers it is replacing. Describing the biosphere-atmosphere exchange in rubber plantations via SVAT modeling is therefore essential to understanding the impacts on environmental processes. The regular spacing of plantationmore » trees creates a peculiar canopy structure that is not well represented in most SVAT models, which generally assumes a non-uniform spacing of vegetation. Herein we develop a SVAT model applicable to rubber plantation and an evaluation method for its canopy structure, and examine how the peculiar canopy structure of rubber plantations affects canopy CO2 and H2O exchanges. Model results are compared with measurements collected at a field site in central Cambodia. Our findings suggest that it is crucial to account for intensive canopy clumping in order to reproduce observed rubber plantation fluxes. These results suggest a potentially optimal spacing of rubber trees to produce high productivity and water use efficiency.« less

Ultrafast Photoinduced Multimode Antiferromagnetic Spin Dynamics in Exchange-Coupled Fe/RFeO3 (R = Er or Dy) Heterostructures.

PubMed

Tang, Jin; Ke, Yajiao; He, Wei; Zhang, Xiangqun; Zhang, Wei; Li, Na; Zhang, Yongsheng; Li, Yan; Cheng, Zhaohua

2018-05-25

Antiferromagnetic spin dynamics is important for both fundamental and applied antiferromagnetic spintronic devices; however, it is rarely explored by external fields because of the strong exchange interaction in antiferromagnetic materials. Here, the photoinduced excitation of ultrafast antiferromagnetic spin dynamics is achieved by capping antiferromagnetic RFeO 3 (R = Er or Dy) with an exchange-coupled ferromagnetic Fe film. Compared with antiferromagnetic spin dynamics of bare RFeO 3 orthoferrite single crystals, which can be triggered effectively by ultrafast laser heating just below the phase transition temperature, the ultrafast photoinduced multimode antiferromagnetic spin dynamic modes, for exchange-coupled Fe/RFeO 3 heterostructures, including quasiferromagnetic resonance, impurity, coherent phonon, and quasiantiferromagnetic modes, are observed in a temperature range of 10-300 K. These experimental results not only offer an effective means to trigger ultrafast antiferromagnetic spin dynamics of rare-earth orthoferrites, but also shed light on the ultrafast manipulation of antiferromagnetic magnetization in Fe/RFeO 3 heterostructures. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Evaluation and inversion of a net ecosystem carbon exchange model for grasslands and croplands

NASA Astrophysics Data System (ADS)

Herbst, M.; Klosterhalfen, A.; Weihermueller, L.; Graf, A.; Schmidt, M.; Huisman, J. A.; Vereecken, H.

2017-12-01

A one-dimensional soil water, heat, and CO2 flux model (SOILCO2), a pool concept of soil carbon turnover (RothC), and a crop growth module (SUCROS) was coupled to predict the net ecosystem exchange (NEE) of carbon. This model, further referred to as AgroC, was extended with routines for managed grassland as well as for root exudation and root decay. In a first step, the coupled model was applied to two winter wheat sites and one upland grassland site in Germany. The model was calibrated based on soil water content, soil temperature, biometric, and soil respiration measurements for each site, and validated in terms of hourly NEE measured with the eddy covariance technique. The overall model performance of AgroC was acceptable with a model efficiency >0.78 for NEE. In a second step, AgroC was optimized with the eddy covariance NEE measurements to examine the effect of various objective functions, constraints, and data-transformations on estimated NEE, which showed a distinct sensitivity to the choice of objective function and the inclusion of soil respiration data in the optimization process. Both, day and nighttime fluxes, were found to be sensitive to the selected optimization strategy. Additional consideration of soil respiration measurements improved the simulation of small positive fluxes remarkably. Even though the model performance of the selected optimization strategies did not diverge substantially, the resulting annual NEE differed substantially. We conclude that data-transformation, definition of objective functions, and data sources have to be considered cautiously when using a terrestrial ecosystem model to determine carbon balances by means of eddy covariance measurements.

Effect of pyrazinamide and probenecid on peritoneal urate transport kinetics during continuous ambulatory peritoneal dialysis.

PubMed

Spaia, S; Magoula, I; Tsapas, G; Vayonas, G

2000-01-01

We administered pyrazinamide (PZA) and probenecid (PB) --two well-known modulators of urate transport via the proximal tubules - to evaluate their impact on urate transport through the peritoneal membrane and to clarify mechanisms affecting peritoneal transport. A continuous ambulatory peritoneal dialysis (CAPD) unit in 2nd Hospital of IKA (Social Services Institute), Greece. In 20 stable CAPD patients, on the study day, a 4-hour, 2-L, 1.36% glucose exchange was performed (control exchange). Pyrazinamide 3 g was given orally and another identical exchange was performed (study exchange). The same protocol was repeated with 2 g PB. KtN, peritoneal clearances of urea, creatinine, and urate for each exchange, and mass transfer area coefficients (MTAC) for the three solutes and their dialysate-to-plasma concentration (D/P) ratios were used to estimate peritoneal transport. Administration of PZA resulted in decreased clearances and MTAC values for the three solutes. The D/P ratio decreased significantly only for urate, indicating a more intense influence of PZA on urate. After PB administration, clearances of urea, creatinine, and urate were increased. MTAC and DIP ratio increased significantly only for urate (p < 0.05), demonstrating an action similar to that exerted on renal tubules. These findings provide evidence that unrestricted diffusion is not the only transport mechanism in the case of urate, and demonstrate the existence of an active mechanism in peritoneal urate transport with a reabsorptive and, probably, a secretive component that resembles that of renal tubule urate transport. Attention should be given in the case of CAPD patients undergoing antituberculous (PZA) treatment: it might have a negative impact on urea, creatinine, and urate peritoneal transport rates.

Optimization and application of cooled avalanche photodiodes for spectroscopic fluctuation measurements with ultra-fast charge exchange recombination spectroscopy

DOE PAGES

Truong, D. D.; Fonck, R. J.; McKee, G. R.

2016-09-23

The Ultra Fast Charge Exchange Recombination Spectroscopy (UF-CHERS) diagnostic is a highly specialized spectroscopic instrument with 2 spatial channels consisting of 8 spectral channels each and a resolution of ~0.25 nm deployed at DIII-D to measure turbulent ion temperature fluctuations. Charge exchange emissions are obtained between 528-530 nm with 1 μs time resolution to study plasma instabilities. A primary challenge of extracting fluctuation measurements from raw UF-CHERS signals is photon and electronic noise. In order to reduce dark current, the Avalanche Photodiode (APD) detectors are thermoelectrically cooled. State-of-the-art components are used for the signal amplifiers and conditioners to minimize electronicmore » noise. Due to the low incident photon power (≤ 1 nW), APDs with a gain of up to 300 are used to optimize the signal to noise ratio. Maximizing the APDs’ gain while minimizing the excess noise factor (ENF) is essential since the total noise of the diagnostic sets a floor for the minimum level of detectable broadband fluctuations. The APDs’ gain should be high enough that photon noise dominates electronic noise, but not excessive so that the ENF overwhelms plasma fluctuations. A new generation of cooled APDs and optimized preamplifiers exhibits significantly enhanced signal-to-noise compared to a previous generation. Experiments at DIII-D have allowed for characterization and optimization of the ENF vs. gain. Here, a gain of ~100 at 1700 V is found to be near optimal for most plasma conditions. Ion temperature and toroidal velocity fluctuations due to the Edge Harmonic Oscillation (EHO) in Quiescent H-mode (QH) plasmas are presented to demonstrate UF-CHERS’ capabilities.« less

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.

Global linear-irreversible principle for optimization in finite-time thermodynamics

NASA Astrophysics Data System (ADS)

Johal, Ramandeep S.

2018-03-01

There is intense effort into understanding the universal properties of finite-time models of thermal machines —at optimal performance— such as efficiency at maximum power, coefficient of performance at maximum cooling power, and other such criteria. In this letter, a global principle consistent with linear irreversible thermodynamics is proposed for the whole cycle —without considering details of irreversibilities in the individual steps of the cycle. This helps to express the total duration of the cycle as τ \\propto {\\bar{Q}^2}/{Δ_\\text{tot}S} , where \\bar{Q} models the effective heat transferred through the machine during the cycle, and Δ_ \\text{tot} S is the total entropy generated. By taking \\bar{Q} in the form of simple algebraic means (such as arithmetic and geometric means) over the heats exchanged by the reservoirs, the present approach is able to predict various standard expressions for figures of merit at optimal performance, as well as the bounds respected by them. It simplifies the optimization procedure to a one-parameter optimization, and provides a fresh perspective on the issue of universality at optimal performance, for small difference in reservoir temperatures. As an illustration, we compare the performance of a partially optimized four-step endoreversible cycle with the present approach.

Discrepancy in reports of support exchanges between parents and adult offspring: within- and between-family differences.

PubMed

Kim, Kyungmin; Zarit, Steven H; Birditt, Kira S; Fingerman, Karen L

2014-04-01

Using data from 929 parent-child dyads nested in 458 three-generation families (aged 76 for the oldest generation, 50 for the middle generation, and 24 for the youngest generation), this study investigated how discrepancies in reports of support that parents and their adult offspring exchanged with one another vary both within and between families, and what factors explain variations in dyadic discrepancies. We found substantial within- and between-family differences in dyadic discrepancies in reports of support exchanges. For downward exchanges (from parents to offspring), both dyad-specific characteristics within a family (e.g., gender composition, relative levels of relationship quality, and family obligation) and shared family characteristics (e.g., average levels of relationship quality) showed significant effects on dyadic discrepancies. For upward exchanges (from offspring to parents), however, only dyad-specific characteristics (e.g., gender composition, coresidence, relative levels of positive relationship quality, and family obligation) were significantly associated with discrepancies. Discrepancies in support exchanges were mainly associated with dyad-specific characteristics, but they also appeared to be influenced by family emotional environments. The use of multiple informants revealed that families differ in discrepancies in reports of exchanges, which has implications for quality of family life as well as future exchanges. PsycINFO Database Record (c) 2014 APA, all rights reserved.

Quantitative Analysis of Guanine Nucleotide Exchange Factors (GEFs) as Enzymes

PubMed Central

Randazzo, Paul A; Jian, Xiaoying; Chen, Pei-Wen; Zhai, Peng; Soubias, Olivier; Northup, John K

2014-01-01

The proteins that possess guanine nucleotide exchange factor (GEF) activity, which include about ~800 G protein coupled receptors (GPCRs),1 15 Arf GEFs,2 81 Rho GEFs,3 8 Ras GEFs,4 and others for other families of GTPases,5 catalyze the exchange of GTP for GDP on all regulatory guanine nucleotide binding proteins. Despite their importance as catalysts, relatively few exchange factors (we are aware of only eight for ras superfamily members) have been rigorously characterized kinetically.5–13 In some cases, kinetic analysis has been simplistic leading to erroneous conclusions about mechanism (as discussed in a recent review14). In this paper, we compare two approaches for determining the kinetic properties of exchange factors: (i) examining individual equilibria, and; (ii) analyzing the exchange factors as enzymes. Each approach, when thoughtfully used,14,15 provides important mechanistic information about the exchange factors. The analysis as enzymes is described in further detail. With the focus on the production of the biologically relevant guanine nucleotide binding protein complexed with GTP (G•GTP), we believe it is conceptually simpler to connect the kinetic properties to cellular effects. Further, the experiments are often more tractable than those used to analyze the equilibrium system and, therefore, more widely accessible to scientists interested in the function of exchange factors. PMID:25332840

Discrepancy in Reports of Support Exchanges between Parents and Adult Offspring: Within- and Between-Family Differences

PubMed Central

Kim, Kyungmin; Zarit, Steven H.; Birditt, Kira S.; Fingerman, Karen L.

2014-01-01

Using data from 929 parent-child dyads nested in 458 three-generation families (aged 76 for the oldest generation, 50 for the middle generation, and 24 for the youngest generation), this study investigated how discrepancies in reports of support that parents and their adult offspring exchanged with one another vary both within and between families, and what factors explain variations in dyadic discrepancies. We found substantial within- and between-family differences in dyadic discrepancies in reports of support exchanges. For downward exchanges (from parents to offspring), both dyad-specific characteristics within a family (e.g., gender composition, relative levels of relationship quality, and family obligation) and shared family characteristics (e.g., average levels of relationship quality) showed significant effects on dyadic discrepancies. For upward exchanges (from offspring to parents), however, only dyad-specific characteristics (e.g., gender composition, coresidence, relative levels of positive relationship quality, and family obligation) were significantly associated with discrepancies. Discrepancies in support exchanges were mainly associated with dyad-specific characteristics, but they also appeared to be influenced by family emotional environments. The use of multiple informants revealed that families differ in discrepancies in reports of exchanges, which has implications for quality of family life as well as future exchanges. PMID:24548009

Effects on lung stress of position and different doses of perfluorocarbon in a model of ARDS.

PubMed

López-Aguilar, Josefina; Lucangelo, Umberto; Albaiceta, Guillermo M; Nahum, Avi; Murias, Gastón; Cañizares, Rosario; Oliva, Joan Carles; Romero, Pablo V; Blanch, Lluís

2015-05-01

We determined whether the combination of low dose partial liquid ventilation (PLV) with perfluorocarbons (PFC) and prone positioning improved lung function while inducing minimal stress. Eighteen pigs with acute lung injury were assigned to conventional mechanical ventilation (CMV) or PLV (5 or 10 ml/kg of PFC). Positive end-expiratory pressure (PEEP) trials in supine and prone positions were performed. Data were analyzed by a multivariate polynomial regression model. The interplay between PLV and position depended on the PEEP level. In supine PLV dampened the stress induced by increased PEEP during the trial. The PFC dose of 5 ml/kg was more effective than the dose 10 ml/kg. This effect was not observed in prone. Oxygenation was significantly higher in prone than in supine position mainly at lower levels of PEEP. In conclusion, MV settings should take both gas exchange and stress/strain into account. When protective CMV fails, rescue strategies combining prone positioning and PLV with optimal PEEP should improve gas exchange with minimal stress. Copyright © 2015 Elsevier B.V. All rights reserved.

Connectivity dominates larval replenishment in a coastal reef fish metapopulation

PubMed Central

Saenz-Agudelo, Pablo; Jones, Geoffrey P.; Thorrold, Simon R.; Planes, Serge

2011-01-01

Direct estimates of larval retention and connectivity are essential to understand the structure and dynamics of marine metapopulations, and optimize the size and spacing of reserves within networks of marine-protected areas (MPAs). For coral reef fishes, while there are some empirical estimates of self-recruitment at isolated populations, exchange among sub-populations has been rarely quantified. Here, we used microsatellite DNA markers and a likelihood-based parentage analysis to assess the relative magnitude of self-recruitment and exchange among eight geographically distinct sub-populations of the panda clownfish Amphiprion polymnus along 30 km of coastline near Port Moresby, Papua New Guinea. In addition, we used an assignment/exclusion test to identify immigrants arriving from genetically distinct sources. Overall, 82 per cent of the juveniles were immigrants while 18 per cent were progeny of parents genotyped in our focal metapopulation. Of the immigrants, only 6 per cent were likely to be genetically distinct from the focal metapopulation, suggesting most of the connectivity is among sub-populations from a rather homogeneous genetic pool. Of the 18 per cent that were progeny of known adults, two-thirds dispersed among the eight sub-populations and only one-third settled back into natal sub-populations. Comparison of our data with previous studies suggested that variation in dispersal distances is likely to be influenced by the geographical setting and spacing of sub-populations. PMID:21325328

Connectivity dominates larval replenishment in a coastal reef fish metapopulation.

PubMed

Saenz-Agudelo, Pablo; Jones, Geoffrey P; Thorrold, Simon R; Planes, Serge

2011-10-07

Direct estimates of larval retention and connectivity are essential to understand the structure and dynamics of marine metapopulations, and optimize the size and spacing of reserves within networks of marine-protected areas (MPAs). For coral reef fishes, while there are some empirical estimates of self-recruitment at isolated populations, exchange among sub-populations has been rarely quantified. Here, we used microsatellite DNA markers and a likelihood-based parentage analysis to assess the relative magnitude of self-recruitment and exchange among eight geographically distinct sub-populations of the panda clownfish Amphiprion polymnus along 30 km of coastline near Port Moresby, Papua New Guinea. In addition, we used an assignment/exclusion test to identify immigrants arriving from genetically distinct sources. Overall, 82 per cent of the juveniles were immigrants while 18 per cent were progeny of parents genotyped in our focal metapopulation. Of the immigrants, only 6 per cent were likely to be genetically distinct from the focal metapopulation, suggesting most of the connectivity is among sub-populations from a rather homogeneous genetic pool. Of the 18 per cent that were progeny of known adults, two-thirds dispersed among the eight sub-populations and only one-third settled back into natal sub-populations. Comparison of our data with previous studies suggested that variation in dispersal distances is likely to be influenced by the geographical setting and spacing of sub-populations.

Pre-dawn stomatal opening does not substantially enhance early-morning photosynthesis in Helianthus annuus.

PubMed

Auchincloss, Lisa; Easlon, Hsien M; Levine, Diedre; Donovan, Lisa; Richards, James H

2014-06-01

Most C3 plant species have partially open stomata during the night especially in the 3-5 h before dawn. This pre-dawn stomatal opening has been hypothesized to enhance early-morning photosynthesis (A) by reducing diffusion limitations to CO2 at dawn. We tested this hypothesis in cultivated Helianthus annuus using whole-shoot gas exchange, leaf level gas exchange and modelling approaches. One hour pre-dawn low-humidity treatments were used to reduce pre-dawn stomatal conductance (g). At the whole-shoot level, a difference of pre-dawn g (0.40 versus 0.17 mol m(-2) s(-1)) did not significantly affect A during the first hour after dawn. Shorter term effects were investigated with leaf level gas exchange measurements and a difference of pre-dawn g (0.10 versus 0.04 mol m(-2) s(-1)) affected g and A for only 5 min after dawn. The potential effects of a wider range of stomatal apertures were explored with an empirical model of the relationship between A and intercellular CO2 concentration during the half-hour after dawn. Modelling results demonstrated that even extremely low pre-dawn stomatal conductance values have only a minimal effect on early-morning A for a few minutes after dawn. Thus, we found no evidence that pre-dawn stomatal opening enhances A.

Physiological and biochemical principles underlying volume-targeted therapy--the "Lund concept".

PubMed

Nordström, Carl-Henrik

2005-01-01

The optimal therapy of sustained increase in intracranial pressure (ICP) remains controversial. The volume-targeted therapy ("Lund concept") discussed in this article focuses on the physiological volume regulation of the intracranial compartments. The balance between effective transcapillary hydrostatic and osmotic pressures constitutes the driving force for transcapillary fluid exchange. The low permeability for sodium and chloride combined with the high crystalloid osmotic pressure (approximately 5700 mmHg) on both sides of the blood-brain barrier (BBB) counteracts fluid exchange across the intact BBB. Additionally, variations in systemic blood pressure generally are not transmitted to these capillaries because cerebral intracapillary hydrostatic pressure (and blood flow) is physio-logically tightly autoregulated. Under pathophysiological conditions, the BBB may be partially disrupted. Transcapillary water exchange is then determined by the differences in hydrostatic and colloid osmotic pressure between the intra- and extracapillary compartments. Pressure autoregulation of cerebral blood flow is likely to be impaired in these conditions. A high cerebral perfusion pressure accordingly increases intracapillary hydrostatic pressure and leads to increased intracerebral water content and an increase in ICP. The volume-targeted "Lund concept" has been evaluated in experimental and clinical studies to examine the physiological and biochemical (utilizing intracerebral microdialysis) effects, and the clinical experiences have been favorable.

Equilibrium lithium-ion transport between nanocrystalline lithium-inserted anatase TiO2 and the electrolyte.

PubMed

Ganapathy, Swapna; van Eck, Ernst R H; Kentgens, Arno P M; Mulder, Fokko M; Wagemaker, Marnix

2011-12-23

The power density of lithium-ion batteries requires the fast transfer of ions between the electrode and electrolyte. The achievable power density is directly related to the spontaneous equilibrium exchange of charged lithium ions across the electrolyte/electrode interface. Direct and unique characterization of this charge-transfer process is very difficult if not impossible, and consequently little is known about the solid/liquid ion transfer in lithium-ion-battery materials. Herein we report the direct observation by solid-state NMR spectroscopy of continuous lithium-ion exchange between the promising nanosized anatase TiO(2) electrode material and the electrolyte. Our results reveal that the energy barrier to charge transfer across the electrode/electrolyte interface is equal to or greater than the barrier to lithium-ion diffusion through the solid anatase matrix. The composition of the electrolyte and in turn the solid/electrolyte interface (SEI) has a significant effect on the electrolyte/electrode lithium-ion exchange; this suggests potential improvements in the power of batteries by optimizing the electrolyte composition. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Quality management benchmarking: FDA compliance in pharmaceutical industry.

PubMed

Jochem, Roland; Landgraf, Katja

2010-01-01

By analyzing and comparing industry and business best practice, processes can be optimized and become more successful mainly because efficiency and competitiveness increase. This paper aims to focus on some examples. Case studies are used to show knowledge exchange in the pharmaceutical industry. Best practice solutions were identified in two companies using a benchmarking method and five-stage model. Despite large administrations, there is much potential regarding business process organization. This project makes it possible for participants to fully understand their business processes. The benchmarking method gives an opportunity to critically analyze value chains (a string of companies or players working together to satisfy market demands for a special product). Knowledge exchange is interesting for companies that like to be global players. Benchmarking supports information exchange and improves competitive ability between different enterprises. Findings suggest that the five-stage model improves efficiency and effectiveness. Furthermore, the model increases the chances for reaching targets. The method gives security to partners that did not have benchmarking experience. The study identifies new quality management procedures. Process management and especially benchmarking is shown to support pharmaceutical industry improvements.

Exchange interaction in hexagonal MnRhP from first-principles studies

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

Liu, X. B., E-mail: liuxubo@uta.edu; Zhang, Qiming; Ping Liu, J., E-mail: pliu@uta.edu

2014-05-07

Electronic structure and magnetic properties for MnRhP have been studied from a first-principles density functional calculation. The calculated lattice constants, a = 6.228 Å and c = 3.571 Å, are in good agreement with the experimental values of a = 6.223 Å and c = 3.585 Å. The calculated moment of Mn is 3.1 μ{sub B}/atom, resulting in a total moment of 3.0 μ{sub B}/atom due to small moments induced at Rh and P sites. The magnetic moment of Mn decreases with unit cell size. The exchange interactions are dominated by positive Mn-Mn exchange coupling (J{sub Mn−Mn}), implying a stable ferromagnetic ordering in Mn sublattice. In particular, J{sub Mn−Mn} showsmore » a maximum value (1.5 mRy) at the the optimized unit cell size. The structural distortion or unit cell size change will affect J{sub Mn−Mn}, which is intimately related to the magneto-elastic and magneto-caloric effect.« less

Adsorption of iodine on hydrogen-reduced silver-exchanged mordenite: Experiments and modeling

DOE PAGES

Nan, Yue; Tavlarides, Lawrence L.; DePaoli, David W.

2016-08-03

The adsorption process of iodine, a major volatile radionuclide in the off-gas streams of spent nuclear fuel reprocessing, on hydrogen-reduced silver-exchanged mordenite (Ag 0Z) was studied at the micro-scale. The gas-solid mass transfer and reaction involved in the adsorption process were investigated and evaluated with appropriate models. Optimal conditions for reducing the silver-exchanged mordenite (AgZ) in a hydrogen stream were determined. Kinetic and equilibrium data of iodine adsorption on Ag 0Z were obtained by performing single-layer adsorption experiments with experimental systems of high precision at 373–473 K over various iodine concentrations. Results indicate approximately 91% to 97% of the iodinemore » adsorption was through the silver-iodine reaction. The effect of temperature on the iodine loading capacity of Ag 0Z was discussed. In conclusion, the Shrinking Core model describes the data well, and the primary rate controlling mechanisms were macro-pore diffusion and silver-iodine reaction. © 2016 American Institute of Chemical Engineers AIChE J, 2016« less

12 CFR 703.16 - Prohibited investments.

Code of Federal Regulations, 2012 CFR

2012-01-01

... credit union may invest in and hold exchangeable collateralized mortgage obligations (exchangeable CMOs) representing beneficial ownership interests in one or more interest-only classes of a CMO (IO CMOs) or principal-only classes of a CMO (PO CMOs), but only if: (i) At the time of purchase, the ratio of the market...

Gas Exchange of Algae

PubMed Central

Ammann, Elizabeth C. B.; Lynch, Victoria H.

1967-01-01

The oxygen production of a photosynthetic gas exchanger containing Chlorella pyrenoidosa (1% packed cell volume) was measured when various concentrations of carbon dioxide were present within the culture unit. The internal carbon dioxide concentrations were obtained by manipulating the entrance gas concentration and the flow rate. Carbon dioxide percentages were monitored by means of electrodes placed directly in the nutrient medium. The concentration of carbon dioxide in the nutrient medium which produced maximal photosynthesis was in the range of 1.5 to 2.5% by volume. Results were unaffected by either the level of carbon dioxide in the entrance gas or the rate of gas flow. Entrance gases containing 2% carbon dioxide flowing at 320 ml/min, 3% carbon dioxide at 135 ml/min, and 4% carbon dioxide at 55 ml/min yielded optimal carbon dioxide concentrations in the particular unit studied. By using carbon dioxide electrodes implanted directly in the gas exchanger to optimize the carbon dioxide concentration throughout the culture medium, it should be possible to design more efficient large-scale units. PMID:4382391

Optimal allocation of leaf epidermal area for gas exchange.

PubMed

de Boer, Hugo J; Price, Charles A; Wagner-Cremer, Friederike; Dekker, Stefan C; Franks, Peter J; Veneklaas, Erik J

2016-06-01

A long-standing research focus in phytology has been to understand how plants allocate leaf epidermal space to stomata in order to achieve an economic balance between the plant's carbon needs and water use. Here, we present a quantitative theoretical framework to predict allometric relationships between morphological stomatal traits in relation to leaf gas exchange and the required allocation of epidermal area to stomata. Our theoretical framework was derived from first principles of diffusion and geometry based on the hypothesis that selection for higher anatomical maximum stomatal conductance (gsmax ) involves a trade-off to minimize the fraction of the epidermis that is allocated to stomata. Predicted allometric relationships between stomatal traits were tested with a comprehensive compilation of published and unpublished data on 1057 species from all major clades. In support of our theoretical framework, stomatal traits of this phylogenetically diverse sample reflect spatially optimal allometry that minimizes investment in the allocation of epidermal area when plants evolve towards higher gsmax . Our results specifically highlight that the stomatal morphology of angiosperms evolved along spatially optimal allometric relationships. We propose that the resulting wide range of viable stomatal trait combinations equips angiosperms with developmental and evolutionary flexibility in leaf gas exchange unrivalled by gymnosperms and pteridophytes. © 2016 The Authors New Phytologist © 2016 New Phytologist Trust.

Optimism and hope as predictors of subjective health in post-myocardial infarction patients: A comparison of the role of coping strategies.

PubMed

Wlodarczyk, Dorota

2017-03-01

This study explored the effects intervening in the linkages of optimism and hope with subjective health in the short term after myocardial infarction. A two-wave study design was used. The sample consisted of 222 myocardial infarction survivors. When adopting a cross-sectional design, optimism and hope predicted subjective health at Time 1 and Time 2. After controlling for baseline subjective health, they were no longer significant predictors of subjective health at Time 2. Parallel indirect effects of seeking social support and problem solving were significant for both optimism and hope. After controlling for the shared variance between optimism and hope, these effects remained significant only for optimism.

Optimization of collision/reaction gases for determination of 90Sr in atmospheric particulate matter by inductively coupled plasma tandem mass spectrometry after direct introduction of air via a gas-exchange device

NASA Astrophysics Data System (ADS)

Suzuki, Yoshinari; Ohara, Ryota; Matsunaga, Kirara

2017-09-01

Nuclear power plant accidents release radioactive strontium 90 (90Sr) into the environment. Monitoring of 90Sr, although important, is difficult and time consuming because it emits only beta radiation. We have developed a new analytical system that enables real-time analysis of 90Sr in atmospheric particulate matter with an analytical run time of only 10 min. Briefly, after passage of an air sample through an impactor, a small fraction of the sample is introduced into a gas-exchange device, where the air is replaced by Ar. Then the sample is directly introduced into an inductively coupled plasma tandem mass spectrometry (ICP-MS/MS) system equipped with a collision/reaction cell to eliminate isobaric interferences on 90Sr from 90Zr+, 89Y1H+, and 90Y+. Experiments with various reaction gas conditions revealed that these interferences could be minimized under the following optimized conditions: 1.0 mL min- 1 O2, 10.0 mL min- 1 H2, and 1.0 mL min- 1 NH3. The estimated background equivalent concentration and estimated detection limit of the system were 9.7 × 10- 4 and 3.6 × 10- 4 ng m- 3, respectively, which are equivalent to 4.9 × 10- 6 and 1.8 × 10- 6 Bq cm- 3. Recoveries of Sr in PM2.5 measured by real-time analysis compared to those obtained by simultaneously collection on filter was 53 ± 23%, and using this recovery, the detection limit as PM2.5 was estimated to be 3.4 ± 1.5 × 10- 6 Bq cm- 3. That is, this system enabled detection of 90Sr at concentrations < 5 × 10- 6 Bq cm- 3 even considering the insufficient fusion/vaporization/ionization efficiency of Sr in PM2.5.

Optimization of elution salt concentration in stepwise elution of protein chromatography using linear gradient elution data. Reducing residual protein A by cation-exchange chromatography in monoclonal antibody purification.

PubMed

Ishihara, Takashi; Kadoya, Toshihiko; Endo, Naomi; Yamamoto, Shuichi

2006-05-05

Our simple method for optimization of the elution salt concentration in stepwise elution was applied to the actual protein separation system, which involves several difficulties such as detection of the target. As a model separation system, reducing residual protein A by cation-exchange chromatography in human monoclonal antibody (hMab) purification was chosen. We carried out linear gradient elution experiments and obtained the data for the peak salt concentration of hMab and residual protein A, respectively. An enzyme-linked immunosorbent assay was applied to the measurement of the residual protein A. From these data, we calculated the distribution coefficient of the hMab and the residual protein A as a function of salt concentration. The optimal salt concentration of stepwise elution to reduce the residual protein A from the hMab was determined based on the relationship between the distribution coefficient and the salt concentration. Using the optimized condition, we successfully performed the separation, resulting in high recovery of hMab and the elimination of residual protein A.

Towards inverse modeling of turbidity currents: The inverse lock-exchange problem

NASA Astrophysics Data System (ADS)

Lesshafft, Lutz; Meiburg, Eckart; Kneller, Ben; Marsden, Alison

2011-04-01

A new approach is introduced for turbidite modeling, leveraging the potential of computational fluid dynamics methods to simulate the flow processes that led to turbidite formation. The practical use of numerical flow simulation for the purpose of turbidite modeling so far is hindered by the need to specify parameters and initial flow conditions that are a priori unknown. The present study proposes a method to determine optimal simulation parameters via an automated optimization process. An iterative procedure matches deposit predictions from successive flow simulations against available localized reference data, as in practice may be obtained from well logs, and aims at convergence towards the best-fit scenario. The final result is a prediction of the entire deposit thickness and local grain size distribution. The optimization strategy is based on a derivative-free, surrogate-based technique. Direct numerical simulations are performed to compute the flow dynamics. A proof of concept is successfully conducted for the simple test case of a two-dimensional lock-exchange turbidity current. The optimization approach is demonstrated to accurately retrieve the initial conditions used in a reference calculation.

Optimized anion exchange column isolation of zirconium-89 ( 89 Zr) from yttrium cyclotron target: Method development and implementation on an automated fluidic platform

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

O’Hara, Matthew J.; Murray, Nathaniel J.; Carter, Jennifer C.

Zirconium-89 (89Zr), produced by the (p,n) reaction from naturally monoisotopic yttrium (natY), is a promising positron emitting isotope for immunoPET imaging. Its long half-life of 78.4 h is sufficient for evaluating slow physiological processes. A prototype automated fluidic system, coupled to on-line and in-line detectors, has been constructed to facilitate development of new 89Zr purification methodologies. The highly reproducible reagent delivery platform and near-real time monitoring of column effluents allows for efficient method optimization. The separation of Zr from dissolved Y metal targets was evaluated using several anion exchange resins. Each resin was evaluated against its ability to quantitatively capturemore » Zr from a load solution that is high in dissolved Y. The most appropriate anion exchange resin for this application was identified, and the separation method was optimized. The method is capable of a high Y decontamination factor (>105) and has been shown to separate Fe, an abundant contaminant in Y foils, from the 89Zr elution fraction. Finally, the performance of the method was evaluated using cyclotron bombarded Y foil targets. The separation method was shown to achieve >95% recovery of the 89Zr present in the foils. The 89Zr eluent, however, was in a chemical matrix not immediately conducive to labeling onto proteins. The main intent of this study was to develop a tandem column 89Zr purification process, wherein the anion exchange column method described here is the first separation in a dual-column purification process.« less

Modeling and simulation of anion-exchange membrane chromatography for purification of Sf9 insect cell-derived virus-like particles.

PubMed

Ladd Effio, Christopher; Hahn, Tobias; Seiler, Julia; Oelmeier, Stefan A; Asen, Iris; Silberer, Christine; Villain, Louis; Hubbuch, Jürgen

2016-01-15

Recombinant protein-based virus-like particles (VLPs) are steadily gaining in importance as innovative vaccines against cancer and infectious diseases. Multiple VLPs are currently evaluated in clinical phases requiring a straightforward and rational process design. To date, there is no generic platform process available for the purification of VLPs. In order to accelerate and simplify VLP downstream processing, there is a demand for novel development approaches, technologies, and purification tools. Membrane adsorbers have been identified as promising stationary phases for the processing of bionanoparticles due to their large pore sizes. In this work, we present the potential of two strategies for designing VLP processes following the basic tenet of 'quality by design': High-throughput experimentation and process modeling of an anion-exchange membrane capture step. Automated membrane screenings allowed the identification of optimal VLP binding conditions yielding a dynamic binding capacity of 5.7 mg/mL for human B19 parvovirus-like particles derived from Spodoptera frugiperda Sf9 insect cells. A mechanistic approach was implemented for radial ion-exchange membrane chromatography using the lumped-rate model and stoichiometric displacement model for the in silico optimization of a VLP capture step. For the first time, process modeling enabled the in silico design of a selective, robust and scalable process with minimal experimental effort for a complex VLP feedstock. The optimized anion-exchange membrane chromatography process resulted in a protein purity of 81.5%, a DNA clearance of 99.2%, and a VLP recovery of 59%. Copyright © 2015 Elsevier B.V. All rights reserved.

Anesthesiologists and anesthetist: are we paying for outcome or process?

PubMed

Rutsohn, Phil

2005-01-01

The concept of Value Exchange is fundamental to any discipline that focuses on interactions between providers and consumers. In both the study of Marketing and the study of Economics, one learns that a producer and consumer will engage in an exchange relationship only so long as the value/cost relationship is positive. Once the cost of the exchange is equal to the value of that exchange, further economic activity is irrational. In a market-based economy, the market is obviously the regulator unless there is some imperfection inhibiting the interaction of the buyer and seller. When there is an imperfection, it is the government's responsibility to intervene and function as a proxy promoting rational buying and selling. In this paper, the author will attempt to demonstrate that the consumer has been economically irrational when purchasing anesthesia services and government has been slow and minimally effective when intervening to rectify this market imperfection.

Optimal dynamic pricing for deteriorating items with reference-price effects

NASA Astrophysics Data System (ADS)

Xue, Musen; Tang, Wansheng; Zhang, Jianxiong

2016-07-01

In this paper, a dynamic pricing problem for deteriorating items with the consumers' reference-price effect is studied. An optimal control model is established to maximise the total profit, where the demand not only depends on the current price, but also is sensitive to the historical price. The continuous-time dynamic optimal pricing strategy with reference-price effect is obtained through solving the optimal control model on the basis of Pontryagin's maximum principle. In addition, numerical simulations and sensitivity analysis are carried out. Finally, some managerial suggestions that firm may adopt to formulate its pricing policy are proposed.

Optimization of UA of heat exchangers and BOG compressor exit pressure of LNG boil-off gas reliquefaction system using exergy analysis

NASA Astrophysics Data System (ADS)

Kochunni, Sarun Kumar; Ghosh, Parthasarathi; Chowdhury, Kanchan

2015-12-01

Boil-off gas (BOG) generation and its handling are important issues in Liquefied natural gas (LNG) value chain because of economic, environment and safety reasons. Several variants of reliquefaction systems of BOG have been proposed by researchers. Thermodynamic analyses help to configure them and size their components for improving performance. In this paper, exergy analysis of reliquefaction system based on nitrogen-driven reverse Brayton cycle is carried out through simulation using Aspen Hysys 8.6®, a process simulator and the effects of heat exchanger size with and without related pressure drop and BOG compressor exit pressure are evaluated. Nondimensionalization of parameters with respect to the BOG load allows one to scale up or down the design. The process heat exchanger (PHX) requires much higher surface area than that of BOG condenser and it helps to reduce the quantity of methane vented out to atmosphere. As pressure drop destroys exergy, optimum UA of PHX decreases for highest system performance if pressure drop is taken into account. Again, for fixed sizes of heat exchangers, as there is a range of discharge pressures of BOG compressor at which the loss of methane in vent minimizes, the designer should consider choosing the pressure at lower value.

Knowledge transfer and exchange frameworks in health and their applicability to palliative care: scoping review protocol.

PubMed

Prihodova, Lucia; Guerin, Suzanne; Kernohan, W George

2015-07-01

To review knowledge transfer and exchange frameworks used in health, to analyse the core concepts of these frameworks and appraise their potential applicability to palliative care. Although there are over 60 different models of knowledge transfer and exchange designed for various areas of the fields of health care, many remain largely unrefined and untested. There is a lack of studies that create guidelines for scaling-up successful implementation of research findings and of proven models ensuring that patients have access to optimal health care, guided by current research. The protocol for this scoping review was devised according to the guidelines proposed by Arksey and O'Malley (2005) and Levac et al. (2010). The protocol includes decisions about the review objectives, inclusion criteria, search strategy, study selection, data extraction, quality assessment, data synthesis and plans for dissemination. The review will allow us to identify the currently used models of knowledge transfer and exchange in healthcare setting and analyse their applicability to the complex demands of palliative care. Results from this review will identify effective way of translating different types of knowledge to different PC providers and could be used in hospital, community and home based PC and future research. © 2015 John Wiley & Sons Ltd.

Formulation and evaluation of sublingual tablets containing Sumatriptan succinate

PubMed Central

Prajapati, Shailesh T; Patel, Parth B; Patel, Chhagan N

2012-01-01

Objective: Sumatriptan succinate is a selective 5-hydroxytryptamine-1 receptor agonist effective in the acute treatment of migraine headaches, having low bioavailability of about 15% orally due to first-pass metabolism. The purpose of this research was to mask the intensely bitter taste of Sumatriptan succinate and to formulate fast-acting, taste-masked sublingual tablet formulation. Materials and Methods: Taste masking was performed by solid dispersion method with mannitol and ion exchange with Kyron T 114 because it releases the drug in salivary pH. The resultant batches were evaluated for in-vivo taste masking as well compatability study (Fourier transform infrared (FTIR) and differential scanning calorimetry (DSC)). For a better feel in the mouth, menthol and sweetener Na saccharine were added to the tablet formulation. The tablets were prepared by direct compression and evaluated for weight variation, thickness, friability, drug content, hardness, disintegration time, wetting time, in vitro drug release, and in vitro permeation study. Results and Discussion: Optimized batches disintegrated in vitro within 28-34 s. Maximum drug release could be achieved with in 10 min for the solid dispersion batches and 14-15 min for the ion-exchange batches with Kyron T 114. The optimized tablet formulation showed better taste and the formulated sublingual tablets may act as a potential alternate for the Sumatriptan succinate oral tablet. Conclusion: Sumatriptan succinate can be successfully taste-masked by both the solid dispersion method using mannitol by the melting method and Ion exchange resin with Kyron T114. It was also concluded that prepared formulation improve bioavailability by prevention of first pass metabolism. PMID:23373008

78 FR 37265 - Self-Regulatory Organizations; New York Stock Exchange LLC; Notice of Filing and Immediate...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-06-20

... York, commonly known as the ``Blue Room'', and amend NYSE Rule 6A, which defines the terms ``Trading... Traders can only utilize the 18 Broad Street entrance to access the Blue Room. \\5\\ See Securities Exchange... IFUS Traders may, on an as needed basis and only prior to 7 a.m., access the Blue Room via the Exchange...