Energetics, Biomechanics, and Performance in Masters' Swimmers: A Systematic Review.

PubMed

Ferreira, Maria I; Barbosa, Tiago M; Costa, Mário J; Neiva, Henrique P; Marinho, Daniel A

2016-07-01

Ferreira, MI, Barbosa, TM, Costa, MJ, Neiva, HP, and Marinho, DA. Energetics, biomechanics, and performance in masters' swimmers: a systematic review. J Strength Cond Res 30(7): 2069-2081, 2016-This study aimed to summarize evidence on masters' swimmers energetics, biomechanics, and performance gathered in selected studies. An expanded search was conducted on 6 databases, conference proceedings, and department files. Fifteen studies were selected for further analysis. A qualitative evaluation of the studies based on the Quality Index (QI) was performed by 2 independent reviewers. The studies were thereafter classified into 3 domains according to the reported data: performance (10 studies), energetics (4 studies), and biomechanics (6 studies). The selected 15 articles included in this review presented low QI scores (mean score, 10.47 points). The biomechanics domain obtained higher QI (11.5 points), followed by energetics and performance (10.6 and 9.9 points, respectively). Stroke frequency (SF) and stroke length (SL) were both influenced by aging, although SF is more affected than SL. Propelling efficiency (ηp) decreased with age. Swimming performance declined with age. The performance declines with age having male swimmers deliver better performances than female counterparts, although this difference tends to be narrow in long-distance events. One single longitudinal study is found in the literature reporting the changes in performance over time. The remaining studies are cross-sectional designs focusing on the energetics and biomechanics. Overall, biomechanics parameters, such as SF, SL, and ηp, tend to decrease with age. This review shows the lack of a solid body of knowledge (reflected in the amount and quality of the articles published) on the changes in biomechanics, energetics, and performance of master swimmers over time. The training programs for this age-group should aim to preserve the energetics as much as possible and, concurrently, improve the technique. Training sessions should feature a higher percentage of technical drills with the goal of enhancing the swim technique. Another goal should be the association of technique enhancement with aerobic and anaerobic sets, enabling the swimmer to improve the swimming efficiency.

Thermodynamic Studies for Drug Design and Screening

PubMed Central

Garbett, Nichola C.; Chaires, Jonathan B.

2012-01-01

Introduction A key part of drug design and development is the optimization of molecular interactions between an engineered drug candidate and its binding target. Thermodynamic characterization provides information about the balance of energetic forces driving binding interactions and is essential for understanding and optimizing molecular interactions. Areas covered This review discusses the information that can be obtained from thermodynamic measurements and how this can be applied to the drug development process. Current approaches for the measurement and optimization of thermodynamic parameters are presented, specifically higher throughput and calorimetric methods. Relevant literature for this review was identified in part by bibliographic searches for the period 2004 – 2011 using the Science Citation Index and PUBMED and the keywords listed below. Expert opinion The most effective drug design and development platform comes from an integrated process utilizing all available information from structural, thermodynamic and biological studies. Continuing evolution in our understanding of the energetic basis of molecular interactions and advances in thermodynamic methods for widespread application are essential to realize the goal of thermodynamically-driven drug design. Comprehensive thermodynamic evaluation is vital early in the drug development process to speed drug development towards an optimal energetic interaction profile while retaining good pharmacological properties. Practical thermodynamic approaches, such as enthalpic optimization, thermodynamic optimization plots and the enthalpic efficiency index, have now matured to provide proven utility in design process. Improved throughput in calorimetric methods remains essential for even greater integration of thermodynamics into drug design. PMID:22458502

Efficient generation and transportation of energetic electrons in a carbon nanotube array target

NASA Astrophysics Data System (ADS)

Ji, Yanling; Jiang, Gang; Wu, Weidong; Wang, Chaoyang; Gu, Yuqiu; Tang, Yongjian

2010-01-01

Laser-driven energetic electron propagation in a carbon nanotube-array target is investigated using two-dimensional particle-in-cell simulations. Energetic electrons are efficiently generated when the array is irradiated by a short intense laser pulse. Confined and guided transportation of energetic electrons in the array is achieved by exploiting strong transient electromagnetic fields created at the wall surfaces of nanotubes. The underlying mechanisms are discussed in detail. Our investigation shows that the laser energy can be transferred more effectively to the target electrons in the array than that of in the flat foil due to the hole structures in the array.

A systems-based approach for integrated design of materials, products and design process chains

NASA Astrophysics Data System (ADS)

Panchal, Jitesh H.; Choi, Hae-Jin; Allen, Janet K.; McDowell, David L.; Mistree, Farrokh

2007-12-01

The concurrent design of materials and products provides designers with flexibility to achieve design objectives that were not previously accessible. However, the improved flexibility comes at a cost of increased complexity of the design process chains and the materials simulation models used for executing the design chains. Efforts to reduce the complexity generally result in increased uncertainty. We contend that a systems based approach is essential for managing both the complexity and the uncertainty in design process chains and simulation models in concurrent material and product design. Our approach is based on simplifying the design process chains systematically such that the resulting uncertainty does not significantly affect the overall system performance. Similarly, instead of striving for accurate models for multiscale systems (that are inherently complex), we rely on making design decisions that are robust to uncertainties in the models. Accordingly, we pursue hierarchical modeling in the context of design of multiscale systems. In this paper our focus is on design process chains. We present a systems based approach, premised on the assumption that complex systems can be designed efficiently by managing the complexity of design process chains. The approach relies on (a) the use of reusable interaction patterns to model design process chains, and (b) consideration of design process decisions using value-of-information based metrics. The approach is illustrated using a Multifunctional Energetic Structural Material (MESM) design example. Energetic materials store considerable energy which can be released through shock-induced detonation; conventionally, they are not engineered for strength properties. The design objectives for the MESM in this paper include both sufficient strength and energy release characteristics. The design is carried out by using models at different length and time scales that simulate different aspects of the system. Finally, by applying the method to the MESM design problem, we show that the integrated design of materials and products can be carried out more efficiently by explicitly accounting for design process decisions with the hierarchy of models.

A further study of spectral energetics in the winter atmosphere

NASA Technical Reports Server (NTRS)

Chen, T.-C.

1982-01-01

The contributions of standing (time-mean) and transient (time-departure) waves to the atmospheric spectral energetics are analyzed using the NMC (National Meteorological Center) data of winter 1976-1977. It is found that the standing long waves are responsible for the major horizontal sensible heat transport and also for the significant horizontal momentum transport. Furthermore, the major contents of eddy available energy and eddy kinetic energy of standing waves are in the long-wave regime. However, the spectral energetics analysis indicates that the standing long waves are energetically less efficient than the transient long and short waves. It is suggested that the lower efficiency of the standing long waves in the atmospheric energetics may be one of the physical factors causing the underforecast of the standing long waves in the numerical weather prediction models.

Intrinsic dynamics and total energy-shaping control of the ballbot system

NASA Astrophysics Data System (ADS)

Satici, A. C.; Donaire, A.; Siciliano, B.

2017-12-01

Research on bipedal locomotion has shown that a dynamic walking gait is energetically more efficient than a statically stable one. Analogously, even though statically stable multi-wheeled robots are easier to control, they are energetically less efficient and have low accelerations to avoid tipping over. In contrast, the ballbot is an underactuated, nonholonomically constrained mobile robot, whose upward equilibrium point has to be stabilised by active control. In this work, we derive coordinate-invariant, reduced, Euler-Poincaré equations of motion for the ballbot. By means of partial feedback linearisation, we obtain two independent passive outputs with corresponding storage functions and utilise these to come up with energy-shaping control laws which move the system along the trajectories of a new Lagrangian system whose desired equilibrium point is asymptotically stable by construction. The basin of attraction of this controller is shown to be almost global under certain conditions on the design of the mechanism which are reflected directly in the mass matrix of the unforced equations of motion.

Influence of Crystallinity and Energetics on Charge Separation in Polymer–Inorganic Nanocomposite Films for Solar Cells

PubMed Central

Bansal, Neha; Reynolds, Luke X.; MacLachlan, Andrew; Lutz, Thierry; Ashraf, Raja Shahid; Zhang, Weimin; Nielsen, Christian B.; McCulloch, Iain; Rebois, Dylan G.; Kirchartz, Thomas; Hill, Michael S.; Molloy, Kieran C.; Nelson, Jenny; Haque, Saif A.

2013-01-01

The dissociation of photogenerated excitons and the subsequent spatial separation of the charges are of crucial importance to the design of efficient donor-acceptor heterojunction solar cells. While huge progress has been made in understanding charge generation at all-organic junctions, the process in hybrid organic:inorganic systems has barely been addressed. Here, we explore the influence of energetic driving force and local crystallinity on the efficiency of charge pair generation at hybrid organic:inorganic semiconductor heterojunctions. We use x-ray diffraction, photoluminescence quenching, transient absorption spectroscopy, photovoltaic device and electroluminescence measurements to demonstrate that the dissociation of photogenerated polaron pairs at hybrid heterojunctions is assisted by the presence of crystalline electron acceptor domains. We propose that such domains encourage delocalization of the geminate pair state. The present findings suggest that the requirement for a large driving energy for charge separation is relaxed when a more crystalline electron acceptor is used. PMID:23524906

What Controls the Rate of Ultrafast Charge Transfer and Charge Separation Efficiency in Organic Photovoltaic Blends.

PubMed

Jakowetz, Andreas C; Böhm, Marcus L; Zhang, Jiangbin; Sadhanala, Aditya; Huettner, Sven; Bakulin, Artem A; Rao, Akshay; Friend, Richard H

2016-09-14

In solar energy harvesting devices based on molecular semiconductors, such as organic photovoltaics (OPVs) and artificial photosynthetic systems, Frenkel excitons must be dissociated via charge transfer at heterojunctions to yield free charges. What controls the rate and efficiency of charge transfer and charge separation is an important question, as it determines the overall power conversion efficiency (PCE) of these systems. In bulk heterojunctions between polymer donor and fullerene acceptors, which provide a model system to understand the fundamental dynamics of electron transfer in molecular systems, it has been established that the first step of photoinduced electron transfer can be fast, of order 100 fs. But here we report the first study which correlates differences in the electron transfer rate with electronic structure and morphology, achieved with sub-20 fs time resolution pump-probe spectroscopy. We vary both the fullerene substitution and donor/fullerene ratio which allow us to control both aggregate size and the energetic driving force for charge transfer. We observe a range of electron transfer times from polymer to fullerene, from 240 fs to as short as 37 fs. Using ultrafast electro-optical pump-push-photocurrent spectroscopy, we find the yield of free versus bound charges to be weakly dependent on the energetic driving force, but to be very strongly dependent on fullerene aggregate size and packing. Our results point toward the importance of state accessibility and charge delocalization and suggest that energetic offsets between donor and acceptor levels are not an important criterion for efficient charge generation. This provides design rules for next-generation materials to minimize losses related to driving energy and boost PCE.

Non-invasive measurement of cerebral oxygen metabolism in the mouse brain by ultra-high field 17O MR spectroscopy

PubMed Central

Cui, Weina; Zhu, Xiao-Hong; Vollmers, Manda L; Colonna, Emily T; Adriany, Gregor; Tramm, Brandon; Dubinsky, Janet M; Öz, Gülin

2013-01-01

To assess cerebral energetics in transgenic mouse models of neurologic disease, a robust, efficient, and practical method for quantification of cerebral oxygen consumption is needed. 17O magnetic resonance spectroscopy (MRS) has been validated to measure cerebral metabolic rate of oxygen (CMRO2) in the rat brain; however, mice present unique challenges because of their small size. We show that CMRO2 measurements with 17O MRS in the mouse brain are highly reproducible using 16.4 Tesla and a newly designed oxygen delivery system. The method can be utilized to measure mitochondrial function in mice quickly and repeatedly, without oral intubation, and has numerous potential applications to study cerebral energetics. PMID:24064490

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

Pandit, Bill; Jackson, Nicholas E.; Zheng, Tianyue

Rational design strategies for controlling the energetics of conjugated “donor–acceptor” copolymers are ubiquitous in the literature, as they allow for simple energy-level tuning strategies to be employed for photovoltaic and transistor applications. Utilizing the recently reported PTRn series of conjugated polymers closely related to the widely implemented material PTB7, we investigate the effect of local copolymer block energetics on the generation of transient excitonic and charge carrier species. It is clearly demonstrated that local copolymer block energetics play a much larger role than is apparent from simple energy-level tuning arguments, and drastically affect the ultrafast generation of free-charge carrier andmore » trap state populations. Specifically, we observe an almost complete reversal in the efficient generation of free-charge in PTB7 to the ultrafast creation of a high percentage of trapped pseudo charge-transfer states. The implications of this secondary effect of “donor–acceptor” energy level tuning are discussed, along with strategies for avoiding the generation of trap states in “donor–acceptor” copolymers.« less

Effects of two commercially available feline diets on glucose and insulin concentrations, insulin sensitivity and energetic efficiency of weight gain.

PubMed

Coradini, M; Rand, J S; Morton, J M; Rawlings, J M

2011-10-01

A low-carbohydrate, high-protein (LCHP) diet is often recommended for the prevention and management of diabetes in cats; however, the effect of macronutrient composition on insulin sensitivity and energetic efficiency for weight gain is not known. The present study compared the effect in adult cats (n 32) of feeding a LCHP (23 and 47 % metabolisable energy (ME)) and a high-carbohydrate, low-protein (HCLP) diet (51 and 21 % ME) on fasting and postprandial glucose and insulin concentrations, and on insulin sensitivity. Tests were done in the 4th week of maintenance feeding and after 8 weeks of ad libitum feeding, when weight gain and energetic efficiency of each diet were also measured. When fed at maintenance energy, the HCLP diet resulted in higher postprandial glucose and insulin concentrations. When fed ad libitum, the LCHP diet resulted in greater weight gain (P < 0.01), and was associated with higher energetic efficiency. Overweight cats eating the LCHP diet had similar postprandial glucose concentrations to lean cats eating the HCLP diet. Insulin sensitivity was not different between the diets when cats were lean or overweight, but glucose effectiveness was higher after weight gain in cats fed the HCLP diet. According to the present results, LCHP diets fed at maintenance requirements might benefit cats with multiple risk factors for developing diabetes. However, ad libitum feeding of LCHP diets is not recommended as they have higher energetic efficiency and result in greater weight gain.

Brownian Carnot engine

PubMed Central

Dinis, L.; Petrov, D.; Parrondo, J. M. R.; Rica, R. A.

2016-01-01

The Carnot cycle imposes a fundamental upper limit to the efficiency of a macroscopic motor operating between two thermal baths1. However, this bound needs to be reinterpreted at microscopic scales, where molecular bio-motors2 and some artificial micro-engines3–5 operate. As described by stochastic thermodynamics6,7, energy transfers in microscopic systems are random and thermal fluctuations induce transient decreases of entropy, allowing for possible violations of the Carnot limit8. Here we report an experimental realization of a Carnot engine with a single optically trapped Brownian particle as the working substance. We present an exhaustive study of the energetics of the engine and analyse the fluctuations of the finite-time efficiency, showing that the Carnot bound can be surpassed for a small number of non-equilibrium cycles. As its macroscopic counterpart, the energetics of our Carnot device exhibits basic properties that one would expect to observe in any microscopic energy transducer operating with baths at different temperatures9–11. Our results characterize the sources of irreversibility in the engine and the statistical properties of the efficiency—an insight that could inspire new strategies in the design of efficient nano-motors. PMID:27330541

A method for rapid sampling and characterization of smokeless powder using sorbent-coated wire mesh and direct analysis in real time - mass spectrometry (DART-MS).

PubMed

Li, Frederick; Tice, Joseph; Musselman, Brian D; Hall, Adam B

2016-09-01

Improvised explosive devices (IEDs) are often used by terrorists and criminals to create public panic and destruction, necessitating rapid investigative information. However, backlogs in many forensic laboratories resulting in part from time-consuming GC-MS and LC-MS techniques prevent prompt analytical information. Direct analysis in real time - mass spectrometry (DART-MS) is a promising analytical technique that can address this challenge in the forensic science community by permitting rapid trace analysis of energetic materials. Therefore, we have designed a qualitative analytical approach that utilizes novel sorbent-coated wire mesh and dynamic headspace concentration to permit the generation of information rich chemical attribute signatures (CAS) for trace energetic materials in smokeless powder with DART-MS. Sorbent-coated wire mesh improves the overall efficiency of capturing trace energetic materials in comparison to swabbing or vacuuming. Hodgdon Lil' Gun smokeless powder was used to optimize the dynamic headspace parameters. This method was compared to traditional GC-MS methods and validated using the NIST RM 8107 smokeless powder reference standard. Additives and energetic materials, notably nitroglycerin, were rapidly and efficiently captured by the Carbopack X wire mesh, followed by detection and identification using DART-MS. This approach has demonstrated the capability of generating comparable results with significantly reduced analysis time in comparison to GC-MS. All targeted components that can be detected by GC-MS were detected by DART-MS in less than a minute. Furthermore, DART-MS offers the advantage of detecting targeted analytes that are not amenable to GC-MS. The speed and efficiency associated with both the sample collection technique and DART-MS demonstrate an attractive and viable potential alternative to conventional techniques. Copyright © 2016 The Chartered Society of Forensic Sciences. Published by Elsevier Ireland Ltd. All rights reserved.

Energetic Salts Based on 3,5-Bis(dinitromethyl)-1,2,4-triazole Monoanion and Dianion: Controllable Preparation, Characterization, and High Performance.

PubMed

Zhang, Jiaheng; Dharavath, Srinivas; Mitchell, Lauren A; Parrish, Damon A; Shreeve, Jean'ne M

2016-06-22

Molecular modification of known explosives is considered to be an efficient route to design new energetic materials. A new family of energetic salts based on the 3,5-bis(dinitromethyl)-1,2,4-triazole monoanion and dianion were controllably synthesized by using 1-diamino-2,2-dinitroethene as a precursor. X-ray structure determination of monohydrazinium 3,5-bis(dinitromethyl)-1,2,4-triazolate (5) and monoammonium (6) and diammonium 3,5-bis(dinitromethyl)-1,2,4-triazolate hydrate (8·H2O) further confirmed the structures of these anions. In addition, as supported by X-ray data, in the monoanion system, the roving proton on the ring nitrogen rather than on the gem-dinitro carbon results in extensive hydrogen-bonding interactions and higher packing coefficients. Interestingly, 5 and 6 possess the highest calculated crystal densities, 1.965 and 1.957 g cm(-3) at 150 K, for hydrazinium and ammonium energetic salts, respectively. Energetic evaluation indicates that 5 (detonation velocity vD = 9086 m s(-1); detonation pressure P = 38.7 GPa) and 6 (vD, 9271 m s(-1); P = 41.0 GPa) exhibit great detonation properties, superior to those of current highly explosive benchmarks, such as 1,3,5-trinitroperhydro-1,3,5-triazine (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX).

Apparatus for high flux photocatalytic pollution control using a rotating fluidized bed reactor

DOEpatents

Tabatabaie-Raissi, Ali; Muradov, Nazim Z.; Martin, Eric

2003-06-24

An apparatus based on optimizing photoprocess energetics by decoupling of the process energy efficiency from the DRE for target contaminants. The technique is applicable to both low- and high-flux photoreactor design and scale-up. An apparatus for high-flux photocatalytic pollution control is based on the implementation of multifunctional metal oxide aerogels and other media in conjunction with a novel rotating fluidized particle bed reactor.

Carnot's cycle for small systems: Irreversibility and cost of operations

NASA Astrophysics Data System (ADS)

Sekimoto, Ken; Takagi, Fumiko; Hondou, Tsuyoshi

2000-12-01

In the thermodynamic limit, the existence of a maximal efficiency of energy conversion attainable by a Carnot cycle consisting of quasistatic isothermal and adiabatic processes precludes the existence of a perpetual machine of the second kind, whose cycles yield positive work in an isothermal environment. We employ the recently developed framework of the energetics of stochastic processes (called ``stochastic energetics'') to reanalyze the Carnot cycle in detail, taking account of fluctuations, without taking the thermodynamic limit. We find that in this nonmacroscopic situation both processes of connection to and disconnection from heat baths and adiabatic processes that cause distortion of the energy distribution are sources of inevitable irreversibility within the cycle. Also, the so-called null-recurrence property of the cumulative efficiency of energy conversion over many cycles and the irreversible property of isolated, purely mechanical processes under external ``macroscopic'' operations are discussed in relation to the impossibility of a perpetual machine, or Maxwell's demon. This analysis may serve as the basis for the design and analysis of mesoscopic energy converters in the near future.

Molecular dynamics simulations to calculate glass transition temperature and elastic constants of novel polyethers.

PubMed

Sarangapani, Radhakrishnan; Reddy, Sreekantha T; Sikder, Arun K

2015-04-01

Molecular dynamics simulations studies are carried out on hydroxyl terminated polyethers that are useful in energetic polymeric binder applications. Energetic polymers derived from oxetanes with heterocyclic side chains with different energetic substituents are designed and simulated under the ensembles of constant particle number, pressure, temperature (NPT) and constant particle number, volume, temperature (NVT). Specific volume of different amorphous polymeric models is predicted using NPT-MD simulations as a function of temperature. Plots of specific volume versus temperature exhibited a characteristic change in slope when amorphous systems change from glassy to rubbery state. Several material properties such as Young's, shear, and bulk modulus, Poisson's ratio, etc. are predicted from equilibrated structures and established the structure-property relations among designed polymers. Energetic performance parameters of these polymers are calculated and results reveal that the performance of the designed polymers is comparable to the benchmark energetic polymers like polyNIMMO, polyAMMO and polyBAMO. Overall, it is worthy remark that this molecular simulations study on novel energetic polyethers provides a good guidance on mastering the design principles and allows us to design novel polymers of tailored properties. Copyright © 2015 Elsevier Inc. All rights reserved.

Compilation, design tests: Energetic particles Satellite S-3 including design tests for S-3A, S-3B and S-3C

NASA Technical Reports Server (NTRS)

Ledoux, F. N.

1973-01-01

A compilation of engineering design tests which were conducted in support of the Energetic Particle Satellite S-3, S-3A, and S-3b programs. The purpose for conducting the tests was to determine the adequacy and reliability of the Energetic Particles Series of satellites designs. The various tests consisted of: (1) moments of inertia, (2) functional reliability, (3) component and structural integrity, (4) initiators and explosives tests, and (5) acceptance tests.

Apparatus for decoupled thermo-photocatalytic pollution control

DOEpatents

Tabatabaie-Raissi, Ali; Muradov, Nazim Z.; Martin, Eric

2003-04-22

A new method for design and scale-up of photocatalytic and thermocatalytic processes is disclosed. The method is based on optimizing photoprocess energetics by decoupling of the process energy efficiency from the DRE for target contaminants. The technique is applicable to photo-thermocatalytic reactor design and scale-up. At low irradiance levels, the method is based on the implementation of low pressure drop biopolymeric and synthetic polymeric support for titanium dioxide and other band-gap media. At high irradiance levels, the method utilizes multifunctional metal oxide aerogels and other media within a novel rotating fluidized particle bed reactor.

SRAM As An Array Of Energetic-Ion Detectors

NASA Technical Reports Server (NTRS)

Buehler, Martin G.; Blaes, Brent R.; Lieneweg, Udo; Nixon, Robert H.

1993-01-01

Static random-access memory (SRAM) designed for use as array of energetic-ion detectors. Exploits well-known tendency of incident energetic ions to cause bit flips in cells of electronic memories. Design of ion-detector SRAM involves modifications of standard SRAM design to increase sensitivity to ions. Device fabricated by use of conventional complementary metal oxide/semiconductor (CMOS) processes. Potential uses include gas densimetry, position sensing, and measurement of cosmic-ray spectrum.

Chlorobaculum tepidum Modulates Amino Acid Composition in Response to Energy Availability, as Revealed by a Systematic Exploration of the Energy Landscape of Phototrophic Sulfur Oxidation.

PubMed

Levy, Amalie T; Lee, Kelvin H; Hanson, Thomas E

2016-11-01

Microbial sulfur metabolism, particularly the formation and consumption of insoluble elemental sulfur (S 0 ), is an important biogeochemical engine that has been harnessed for applications ranging from bioleaching and biomining to remediation of waste streams. Chlorobaculum tepidum, a low-light-adapted photoautolithotrophic sulfur-oxidizing bacterium, oxidizes multiple sulfur species and displays a preference for more reduced electron donors: sulfide > S 0 > thiosulfate. To understand this preference in the context of light energy availability, an "energy landscape" of phototrophic sulfur oxidation was constructed by varying electron donor identity, light flux, and culture duration. Biomass and cellular parameters of C. tepidum cultures grown across this landscape were analyzed. From these data, a correction factor for colorimetric protein assays was developed, enabling more accurate biomass measurements for C. tepidum, as well as other organisms. C. tepidum's bulk amino acid composition correlated with energy landscape parameters, including a tendency toward less energetically expensive amino acids under reduced light flux. This correlation, paired with an observation of increased cell size and storage carbon production under electron-rich growth conditions, suggests that C. tepidum has evolved to cope with changing energy availability by tuning its proteome for energetic efficiency and storing compounds for leaner times. How microbes cope with and adapt to varying energy availability is an important factor in understanding microbial ecology and in designing efficient biotechnological processes. We explored the response of a model phototrophic organism, Chlorobaculum tepidum, across a factorial experimental design that enabled simultaneous variation and analysis of multiple growth conditions, what we term the "energy landscape." C. tepidum biomass composition shifted toward less energetically expensive amino acids at low light levels. This observation provides experimental evidence for evolved efficiencies in microbial proteomes and emphasizes the role that energy flux may play in the adaptive responses of organisms. From a practical standpoint, our data suggest that bulk biomass amino acid composition could provide a simple proxy to monitor and identify energy stress in microbial systems. Copyright © 2016, American Society for Microbiology. All Rights Reserved.

Chlorobaculum tepidum Modulates Amino Acid Composition in Response to Energy Availability, as Revealed by a Systematic Exploration of the Energy Landscape of Phototrophic Sulfur Oxidation

PubMed Central

2016-01-01

ABSTRACT Microbial sulfur metabolism, particularly the formation and consumption of insoluble elemental sulfur (S0), is an important biogeochemical engine that has been harnessed for applications ranging from bioleaching and biomining to remediation of waste streams. Chlorobaculum tepidum, a low-light-adapted photoautolithotrophic sulfur-oxidizing bacterium, oxidizes multiple sulfur species and displays a preference for more reduced electron donors: sulfide > S0 > thiosulfate. To understand this preference in the context of light energy availability, an “energy landscape” of phototrophic sulfur oxidation was constructed by varying electron donor identity, light flux, and culture duration. Biomass and cellular parameters of C. tepidum cultures grown across this landscape were analyzed. From these data, a correction factor for colorimetric protein assays was developed, enabling more accurate biomass measurements for C. tepidum, as well as other organisms. C. tepidum's bulk amino acid composition correlated with energy landscape parameters, including a tendency toward less energetically expensive amino acids under reduced light flux. This correlation, paired with an observation of increased cell size and storage carbon production under electron-rich growth conditions, suggests that C. tepidum has evolved to cope with changing energy availability by tuning its proteome for energetic efficiency and storing compounds for leaner times. IMPORTANCE How microbes cope with and adapt to varying energy availability is an important factor in understanding microbial ecology and in designing efficient biotechnological processes. We explored the response of a model phototrophic organism, Chlorobaculum tepidum, across a factorial experimental design that enabled simultaneous variation and analysis of multiple growth conditions, what we term the “energy landscape.” C. tepidum biomass composition shifted toward less energetically expensive amino acids at low light levels. This observation provides experimental evidence for evolved efficiencies in microbial proteomes and emphasizes the role that energy flux may play in the adaptive responses of organisms. From a practical standpoint, our data suggest that bulk biomass amino acid composition could provide a simple proxy to monitor and identify energy stress in microbial systems. PMID:27565613

Coupled thermal/chemical/mechanical modeling of energetic materials in ALE3D

NASA Technical Reports Server (NTRS)

Nichols, A. L.; Couch, R.; Maltby, J. D.; McCallen, R. C.; Otero, I.

1996-01-01

We must improve our ability to model the response of energetic materials to thermal stimuli and the processes involved in the energetic response. We have developed and used a time step option to efficiently and accurately compute the hours that the energetic material can take to react. Since on these longer film scales, materials can be expected to have significant motion, it is even more important to provide high-order advection for all components, including the chemical species. We show an example cook-off problem to illustrate these capabilities.

Energetic aspects of skeletal muscle contraction: implications of fiber types.

PubMed

Rall, J A

1985-01-01

In this chapter fundamental energetic properties of skeletal muscles as elucidated from isolated muscle preparations are described. Implications of these intrinsic properties for the energetic characterization of different fiber types and for the understanding of locomotion have been considered. Emphasis was placed on the myriad of physical and chemical techniques that can be employed to understand muscle energetics and on the interrelationship of results from different techniques. The anaerobic initial processes which liberate energy during contraction and relaxation are discussed in detail. The high-energy phosphate (approximately P) utilized during contraction and relaxation can be distributed between actomyosin ATPase or cross-bridge cycling (70%) and the Ca2+ ATPase of the sacroplasmic reticulum (30%). Muscle shortening increases the rate of approximately P hydrolysis, and stretching a muscle during contraction suppresses the rate of approximately P hydrolysis. The economy of an isometric contraction is defined as the ratio of isometric mechanical response to energetic cost and is shown to be a fundamental intrinsic parameter describing muscle energetics. Economy of contraction varies across the animal kingdom by over three orders of magnitude and is different in different mammalian fiber types. In mammalian skeletal muscles differences in economy of contraction can be attributed mainly to differences in the specific actomyosin and Ca2+ ATPase of muscles. Furthermore, there is an inverse relationship between economy of contraction and maximum velocity of muscle shortening (Vmax) and maximum power output. This is a fundamental relationship. Muscles cannot be economical at developing and maintaining force and also exhibit rapid shortening. Interestingly, there appears to be a subtle system of unknown nature that modulates the Vmax and economy of contraction. Efficiency of a work-producing contraction is defined and contrasted to the economy of contraction. Unlike economy, maximum efficiency of work production varies little across the animal kingdom. There are difficulties associated with the measurement of maximum efficiency of contraction, and it has yet to be determined unequivocally if the maximum efficiency of contraction varies in different fiber types. The intrinsic properties of force per cross-sectional area, economy, and Vmax determine the basic energetic properties of skeletal muscles. Nonetheless, the mechanics and energetics of skeletal muscles in the body are profoundly influenced by muscle architecture, attachment of muscles to the skeleton, and motor unit organization.(ABSTRACT TRUNCATED AT 400 WORDS)

Computational screening of oxetane monomers for novel hydroxy terminated polyethers.

PubMed

Sarangapani, Radhakrishnan; Ghule, Vikas D; Sikder, Arun K

2014-06-01

Energetic hydroxy terminated polyether prepolymers find paramount importance in search of energetic binders for propellant applications. In the present study, density functional theory (DFT) has been employed to screen the various novel energetic oxetane derivatives, which usually construct the backbone for these energetic polymers. Molecular structures were investigated at the B3LYP/6-31G* level, and isodesmic reactions were designed for calculating the gas phase heats of formation. The condensed phase heats of formation for designed compounds were calculated by the Politzer approach using heats of sublimation. Among the designed oxetane derivatives, T4 and T5 possess condensed phase heat of formation above 210 kJ mol(-1). The crystal packing density of the designed oxetane derivatives varied from 1.2 to 1.6 g/cm(3). The detonation velocities and pressures were evaluated using the Kamlet-Jacobs equations, utilizing the predicted densities and HOFCond. It was found that most of the designed oxetane derivatives have detonation performance comparable to the monomers of benchmark energetic polymers viz., NIMMO, AMMO, and BAMO. The strain energy (SE) for the oxetane derivatives were calculated using homodesmotic reactions, while intramolecular group interactions were predicted through the disproportionation energies. The concept of chemical hardness is used to analyze the susceptibility of designed compounds to reactivity and chemical transformations. The heats of formation, density, and predicted performance imply that the designed molecules are expected to be candidates for polymer synthesis and potential molecules for energetic binders.

Calibration and characterization of a highly efficient spectrometer in von Hamos geometry for 7-10 keV x-rays

DOE PAGES

Jarrott, L. C.; Wei, M. S.; McGuffey, C.; ...

2017-04-27

Here, we have built an absolutely calibrated, highly efficient, Bragg crystal spectrometer in von Hamos geometry. This zinc von Hamos spectrometer uses a crystal made from highly oriented pyrolytic graphite that is cylindrically bent along the non-dispersive axis. It is tuned to measure x-ray spectra in the 7–10 keV range and has been designed to be used on a Ten Inch Manipulator for the Omega and OmegaEP target chambers at the Laboratory for Laser Energetics in Rochester, USA. Significant shielding strategies and fluorescence mitigation have been implemented in addition to an imaging plate detector making it well suited for experimentsmore » in high-intensity environments. Here we present the design and absolute calibration as well as mosaicity and integrated reflectivity measurements.« less

The TELEC - A plasma type of direct energy converter. [Thermo-Electronic Laser Energy Converter for electric power generation

NASA Technical Reports Server (NTRS)

Britt, E. J.

1978-01-01

The Thermo-Electronic Laser Energy Converter (TELEC) is a high-power density plasma device designed to convert a 10.6-micron CO2 laser beam into electric power. Electromagnetic radiation is absorbed in plasma electrons, creating a high-electron temperature. Energetic electrons diffuse from the plasma and strike two electrodes having different areas. The larger electrode collects more electrons and there is a net transport of current. An electromagnetic field is generated in the external circuit. A computer program has been designed to analyze TELEC performance allowing parametric variation for optimization. Values are presented for TELEC performance as a function of cesium pressure and for current density and efficiency as a function of output voltage. Efficiency is shown to increase with pressure, reaching a maximum over 45%.

Selection for growth does not affect apparent energetic efficiency of jejunal glucose uptake in mice.

PubMed

Fan, Y K; Croom, W J; Eisen, E J; Daniel, L R; Black, B L; McBride, B W

1996-11-01

Five-wk-old male mice from high growth (M16) and randomly bred control (ICR) lines, plus their reciprocal crosses, ICR x M16 and M16 x ICR, were used to investigate whether whole-body O2 consumption, jejunal respiration, jejunal glucose absorption and the apparent energetic efficiency of jejunal active glucose uptake in mice are altered by genetic selection for growth as well as by heterosis and maternal effects. Whole-body O2 consumption was measured in 12 mice from each line or cross. The mice were later killed for measurement of jejunal O2, using tissue respiration chambers and jejunal glucose transport determined by 3H-3-O-methylglucose accumulation. No heterosis or maternal effects were detected in jejunal glucose active transport and active glucose uptake. Selection for growth (M16 vs. ICR) increased daily gain (1.54 vs. 1.09 g, P < 0.001), small intestinal length and weight, but did not enhance jejunal glucose transport. The apparent energetic efficiency of jejunal active glucose uptake among lines was not different (54.0, 50.4, 51.6 and 47.1 nmol ATP expended/nmol glucose uptake for M16, ICR, M16 x ICR and ICR x M16, respectively, P > 0.63). Selection for growth in mice did not result in more energetically efficient jejunal glucose absorption.

Design and Implementation of a Wireless Sensor and Actuator Network to Support the Intelligent Control of Efficient Energy Usage.

PubMed

Blanco, Jesús; García, Andrés; Morenas, Javier de Las

2018-06-09

Energy saving has become a major concern for the developed society of our days. This paper presents a Wireless Sensor and Actuator Network (WSAN) designed to provide support to an automatic intelligent system, based on the Internet of Things (IoT), which enables a responsible consumption of energy. The proposed overall system performs an efficient energetic management of devices, machines and processes, optimizing their operation to achieve a reduction in their overall energy usage at any given time. For this purpose, relevant data is collected from intelligent sensors, which are in-stalled at the required locations, as well as from the energy market through the Internet. This information is analysed to provide knowledge about energy utilization, and to improve efficiency. The system takes autonomous decisions automatically, based on the available information and the specific requirements in each case. The proposed system has been implanted and tested in a food factory. Results show a great optimization of energy efficiency and a substantial improvement on energy and costs savings.

Advanced Laser-Compton Gamma-Ray Sources for Nuclear Materials Detection, Assay and Imaging

NASA Astrophysics Data System (ADS)

Barty, C. P. J.

2015-10-01

Highly-collimated, polarized, mono-energetic beams of tunable gamma-rays may be created via the optimized Compton scattering of pulsed lasers off of ultra-bright, relativistic electron beams. Above 2 MeV, the peak brilliance of such sources can exceed that of the world's largest synchrotrons by more than 15 orders of magnitude and can enable for the first time the efficient pursuit of nuclear science and applications with photon beams, i.e. Nuclear Photonics. Potential applications are numerous and include isotope-specific nuclear materials management, element-specific medical radiography and radiology, non-destructive, isotope-specific, material assay and imaging, precision spectroscopy of nuclear resonances and photon-induced fission. This review covers activities at the Lawrence Livermore National Laboratory related to the design and optimization of mono-energetic, laser-Compton gamma-ray systems and introduces isotope-specific nuclear materials detection and assay applications enabled by them.

Minimal role of nitric oxide in basal coronary flow regulation and cardiac energetics of blood-perfused isolated canine heart.

PubMed Central

Saeki, A; Recchia, F A; Senzaki, H; Kass, D A

1996-01-01

1. The role of nitric oxide (NO) in the regulation of basal coronary perfusion and ventricular chamber energetics was studied in isovolumetrically contracting isolated blood-perfused canine hearts. Hearts were cross-perfused by a donor animal prior to isolation, and chamber volume controlled by a servo-pump. Coronary sinus flow and arterial-coronary sinus oxygen difference were measured to determine energetic efficiency. 2. NO synthase (NOS) was competitively inhibited by NG-monomethyl-L-arginine (L-NMMA; 0.5 mg kg-1, intracoronary), resulting in a reduction of acetylcholine (50 micrograms min-1)-induced flow augmentation from 143 to 62% (P < 0.001). 3. NOS inhibition had no significant effect on basal coronary flow. Coronary pressure-flow relationships were determined at a constant cardiac workload by varying mean perfusion pressure between 20 and 150 mmHg. Neither the shape of the relationship, nor the low-pressure value at which flow regulation was substantially diminished were altered by NOS inhibition. 4. Myocardial efficiency was assessed by the relationship between myocardial oxygen consumption and total pressure-volume area (PVA), with cavity volume altered to generate varying PVAs. This relative load-independent measure of energetic efficiency was minimally altered by NOS inhibition. 5. These results contrast with isolated crystalloid-perfused heart experiments and suggest that in hearts with highly controlled ventricular loading and whole-blood perfusion, effects of basal NO production on coronary perfusion and left ventricular energetics are minimal. PMID:8866868

Effect of charge trapping on geminate recombination and polymer solar cell performance.

PubMed

Groves, Chris; Blakesley, James C; Greenham, Neil C

2010-03-10

In this letter, we examine the effect of charge trapping on geminate recombination and organic photovoltaic performance using a Monte Carlo model. We alter the degree of charge trapping by considering energetic disorder to be spatially uncorrelated or correlated. On correlating energetic disorder, and so reducing the degree of trapping, it is found that power conversion efficiency of blend and bilayer devices improves by factors of 3.1 and 2.6, respectively. These results are related to the experimental data and quantum chemical calculations for poly[9,9-dioctylfluorene-co-bis-N,N'-(4-butylphenyl)-bis-N,N'-phenyl-1,4-phenylenediamine] (PFB)/poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) as well as poly(3-hexylthiophene) (P3HT)/(6,6)-phenyl-C(61)-butyric acid methyl ester (PCBM) solar cell systems. The minimization of traps at the heterojunction between electron- and hole-accepting materials, perhaps by molecular design, appears to be a promising strategy to achieve large gains in PV performance. It is also shown that macroscopically measurable quantities such as mobility and energetic disorder are not necessarily good predictors of nanoscale geminate recombination process.

Hepatic mitochondrial energetics during catch-up fat with high-fat diets rich in lard or safflower oil.

PubMed

Crescenzo, Raffaella; Bianco, Francesca; Falcone, Italia; Tsalouhidou, Sofia; Yepuri, Gayathri; Mougios, Vassilis; Dulloo, Abdul G; Liverini, Giovanna; Iossa, Susanna

2012-09-01

We have investigated whether altered hepatic mitochondrial energetics could explain the differential effects of high-fat diets with low or high ω6 polyunsaturated fatty acid content (lard vs. safflower oil) on the efficiency of body fat recovery (catch-up fat) during refeeding after caloric restriction. After 2 weeks of caloric restriction, rats were isocalorically refed with a low-fat diet (LF) or high-fat diets made from either lard or safflower oil for 1 week, and energy balance and body composition changes were assessed. Hepatic mitochondrial energetics were determined from measurements of liver mitochondrial mass, respiratory capacities, and proton leak. Compared to rats refed the LF, the groups refed high-fat diets showed lower energy expenditure and increased efficiency of fat gain; these differences were less marked with high-safflower oil than with high-lard diet. The increase in efficiency of catch-up fat by the high-fat diets could not be attributed to differences in liver mitochondrial activity. By contrast, the lower fat gain with high-safflower oil than with high-lard diet is accompanied by higher mitochondrial proton leak and increased proportion of arachidonic acid in mitochondrial membranes. In conclusion, the higher efficiency for catch-up fat on high-lard diet than on LF cannot be explained by altered hepatic mitochondrial energetics. By contrast, the ability of the high-safflower oil diet to produce a less pronounced increase in the efficiency of catch-up fat may partly reside in increased incorporation of arachidonic acid in hepatic mitochondrial membranes, leading to enhanced proton leak and mitochondrial uncoupling.

Rational design for enhancing inflammation-responsive in vivo chemiluminescence via nanophotonic energy relay to near-infrared AIE-active conjugated polymer.

PubMed

Seo, Young Hun; Singh, Ajay; Cho, Hong-Jun; Kim, Youngsun; Heo, Jeongyun; Lim, Chang-Keun; Park, Soo Young; Jang, Woo-Dong; Kim, Sehoon

2016-04-01

H2O2-specific peroxalate chemiluminescence is recognized as a potential signal for sensitive in vivo imaging of inflammation but the effect of underlying peroxalate-emitter energetics on its efficiency has rarely been understood. Here we report a simple nanophotonic way of boosting near-infrared chemiluminescence with no need of complicated structural design and synthesis of an energetically favored emitter. The signal enhancement was attained from the construction of a nanoparticle imaging probe (∼26 nm in size) by dense nanointegration of multiple molecules possessing unique photonic features, i.e., i) a peroxalate as a chemical fuel generating electronic excitation energy in response to inflammatory H2O2, ii) a low-bandgap conjugated polymer as a bright near-infrared emitter showing aggregation-induced emission (AIE), and iii) an energy gap-bridging photonic molecule that relays the chemically generated excitation energy to the emitter for its efficient excitation. From static and kinetic spectroscopic studies, a green-emissive BODIPY dye has proven to be an efficient relay molecule to bridge the energy gap between the AIE polymer and the chemically generated excited intermediate of H2O2-reacted peroxalates. The energy-relayed nanointegration of AIE polymer and peroxalate in water showed a 50-times boosted sensing signal compared to their dissolved mixture in THF. Besides the high H2O2 detectability down to 10(-9) M, the boosted chemiluminescence presented a fairly high tissue penetration depth (>12 mm) in an ex vivo condition, which enabled deep imaging of inflammatory H2O2 in a hair-covered mouse model of peritonitis. Copyright © 2016 Elsevier Ltd. All rights reserved.

Improving the sampling efficiency of Monte Carlo molecular simulations: an evolutionary approach

NASA Astrophysics Data System (ADS)

Leblanc, Benoit; Braunschweig, Bertrand; Toulhoat, Hervé; Lutton, Evelyne

We present a new approach in order to improve the convergence of Monte Carlo (MC) simulations of molecular systems belonging to complex energetic landscapes: the problem is redefined in terms of the dynamic allocation of MC move frequencies depending on their past efficiency, measured with respect to a relevant sampling criterion. We introduce various empirical criteria with the aim of accounting for the proper convergence in phase space sampling. The dynamic allocation is performed over parallel simulations by means of a new evolutionary algorithm involving 'immortal' individuals. The method is bench marked with respect to conventional procedures on a model for melt linear polyethylene. We record significant improvement in sampling efficiencies, thus in computational load, while the optimal sets of move frequencies are liable to allow interesting physical insights into the particular systems simulated. This last aspect should provide a new tool for designing more efficient new MC moves.

High-density carbon ablator ignition path with low-density gas-filled rugby hohlraum

NASA Astrophysics Data System (ADS)

Amendt, Peter; Ho, Darwin D.; Jones, Ogden S.

2015-04-01

A recent low gas-fill density (0.6 mg/cc 4He) cylindrical hohlraum experiment on the National Ignition Facility has shown high laser-coupling efficiency (>96%), reduced phenomenological laser drive corrections, and improved high-density carbon capsule implosion symmetry [Jones et al., Bull. Am. Phys. Soc. 59(15), 66 (2014)]. In this Letter, an ignition design using a large rugby-shaped hohlraum [Amendt et al., Phys. Plasmas 21, 112703 (2014)] for high energetics efficiency and symmetry control with the same low gas-fill density (0.6 mg/cc 4He) is developed as a potentially robust platform for demonstrating thermonuclear burn. The companion high-density carbon capsule for this hohlraum design is driven by an adiabat-shaped [Betti et al., Phys. Plasmas 9, 2277 (2002)] 4-shock drive profile for robust high gain (>10) 1-D ignition performance and large margin to 2-D perturbation growth.

A new approach on the upgrade of energetic system based on green energy. A complex comparative analysis of the EEDI and EEOI

NASA Astrophysics Data System (ADS)

Faitar, C.; Novac, I.

2016-08-01

In recent years, many environmental organizations was interested to optimize the energy consumption which has become, today, one of the main concerns to the whole world. From this point of view, the maritime industry, has strove to optimize the fuel consumption of ship through the development of engines and propulsion system, improve the hull design, or using alternative energies, this way making a reduction in the amount of CO2 released to the atmosphere. The main idea of this paper is to realize a complex comparative analysis of Energy Efficiency Design Index and Energy Efficiency Operational Indicator which are calculated in two cases: first, in a classical approach for a crude oil super tanker ship and second, after the energy performance of this ship has been improved by introducing alternative energy sources on board.

Future Energy Benchmark for Desalination: is it Better to have a Power (electricity) Plant with ro or Med/msf?

NASA Astrophysics Data System (ADS)

Shahzad, Muhammad Wakil; Ng, Kim Choon; Thu, Kyaw

2016-06-01

Power and desalination cogeneration plants are common in many water scared courtiers. Designers and planners for cogeneration face tough challenges in deciding the options:- Is it better to operate a power plant (PP) with the reverse osmosis (i.e., PP+RO) or the thermally-driven multi-effect distillation/multi-stage flashed (PP+MED/MSF) methods. From literature, the RO methods are known to be energy efficient whilst the MED/MSF are known to have excellent thermodynamic synergies as only low pressure and temperature steam are used. Not with-standing the challenges of severe feed seawater of the Gulf, such as the frequent harmful algae blooms (HABs) and high silt contents, this presentation presents a quantitative analyses using the exergy and energetic approaches in evaluating the performances of a real cogeneration plant that was recently proposed in the eastern part of Saudi Arabia. We demonstrate that the process choice of PP+RO versus PP+MED depends on the inherent efficiencies of individual process method which is closely related to innovative process design. In this connection, a method of primary fuel cost apportionment for a co-generation plant with a MED desalination is presented. We show that an energy approach, that captures the quality of expanding steam, is a better method over the conventional work output (energetic) and the energy method seems to be over-penalizing a thermally-driven MED by as much as 22% in the operating cost of water.

Electrochemical Determination of TNT, DNT, RDX, and HMX with Gold Nanoparticles/Poly(Carbazole-Aniline) Film-Modified Glassy Carbon Sensor Electrodes Imprinted for Molecular Recognition of Nitroaromatics and Nitramines.

PubMed

Sağlam, Şener; Üzer, Ayşem; Erçağ, Erol; Apak, Reşat

2018-06-19

Since nitroaromatic- and nitramine-type energetic materials, mostly arising from military activities, are persistent pollutants in soil and groundwater, on-site sensing of these hazardous chemicals has gained importance. A novel electrochemical sensor was designed for detecting nitroaromatic- and nitramine-type energetic materials, relying on gold nanoparticles (Au nano ), modified glassy carbon (GC) electrode coated with nitro-energetic memory-poly(carbazole-aniline) copolymer (Cz- co-ANI) film (e.g., TNT memory-GC/P(Cz- co-ANI)-Au nano modified electrode). Current was recorded against concentration to build the calibration curves that were found to be linear within the range of 100-1000 μg L -1 for 2,4,6-trinitrotoluene (TNT) and 2,4-dinitrotoluene (DNT): 50-1000 μg L -1 for 1,3,5-trinitro-1,3,5-triazacyclohexane (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX). The corresponding limits of detection were 25 μg L -1 for TNT, 30 μg L -1 for DNT, and 10 μg L -1 for both RDX and HMX, using nitro-energetic memory-GC/P(Cz- co-ANI)-Au nano electrodes. These electrodes were used separately, and specific determinations were made in various mixtures of nitro-energetic materials. The developed method could be efficiently used in electroanalyzing nitroaromatics and nitramines in military explosives (i.e., comp B, octol, and comp A5). The sensor electrodes were specific for the tested nitro-energetic compounds and did not respond to paracetamol-caffeine-based analgesic drug, acetylsalicylic acid (aspirin), sweetener, and sugar that can be used as camouflage materials in passenger belongings. The developed method was statistically validated against the standard LC-MS reference method in contaminated clay soil samples containing TNT and RDX explosives.

The effect of vortex formation on left ventricular filling and mitral valve efficiency.

PubMed

Pierrakos, Olga; Vlachos, Pavlos P

2006-08-01

A new mechanism for quantifying the filling energetics in the left ventricle (LV) and past mechanical heart valves (MHV) is identified and presented. This mechanism is attributed to vortex formation dynamics past MHV leaflets. Recent studies support the conjecture that the natural healthy left ventricle (LV) performs in an optimum, energy-preserving manner by redirecting the flow with high efficiency. Yet to date, no quantitative proof has been presented. The present work provides quantitative results and validation of a theory based on the dynamics of vortex ring formation, which is governed by a critical formation number (FN) that corresponds to the dimensionless time at which the vortex ring has reached its maximum circulation content, in support of this hypothesis. Herein, several parameters (vortex ring circulation, vortex ring energy, critical FN, hydrodynamic efficiencies, vortex ring propagation speed) have been quantified and presented as a means of bridging the physics of vortex formation in the LV. In fact, the diastolic hydrodynamic efficiencies were found to be 60, 41, and 29%, respectively, for the porcine, anti-anatomical, and anatomical valve configurations. This assessment provides quantitative proof of vortex formation, which is dependent of valve design and orientation, being an important flow characteristic and associated to LV energetics. Time resolved digital particle image velocimetry with kilohertz sampling rate was used to study the ejection of fluid into the LV and resolve the spatiotemporal evolution of the flow. The clinical significance of this study is quantifying vortex formation and the critical FN that can potentially serve as a parameter to quantify the LV filling process and the performance of heart valves.

Enhancement of efficiency in the use of light for cultivation of plants in controlled ecological systems

NASA Technical Reports Server (NTRS)

Mashinsky, A. L.; Oreshkin, V. I.; Nechitailo, G. S.

1994-01-01

The problems of plant cultivation with the use of artificial lighting are related to energetics and, initially, to the lack of effective sources for photosynthesis, secondly to the necessity to supply a system with a considerable power in the form of light energy and to remove transformed thermal energy, and finally to economic considerations. These problems are solved by three ways: by the choice of effective radiation sources, design approaches, and technological methods of cultivation. Here we shall consider the first two ways.

Pilot Plant Makes Oxygen Difluoride

NASA Technical Reports Server (NTRS)

Humphrey, Marshall F.; Lawton, Emil A.

1989-01-01

Pilot plant makes oxygen difluoride highly-energetic, space-storable oxidizer not made commercially. Designed to handle reactants, product, and byproduct, most of which highly reactive, corrosive, and toxic. Oxygen difluoride evolves continuously from reactor containing potassium hydroxide in water at 10 degree C. Collection tanks alternated; one filled while other drained to storage cylinder. Excess OF2 and F2 dissipated in combustion of charcoal in burn barrel. Toxic byproduct, potassium fluoride, reacted with calcium hydroxide to form nontoxic calcium fluoride and to regenerate potassium hydroxide. Equipment processes toxic, difficult-to-make substance efficiently and safely.

Final report on the oxidation of energetic materials in supercritical water. Final Air Force report

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

Buelow, S.J.; Allen, D.; Anderson, G.K.

1995-04-03

The objective of this project was to determine the suitability of oxidation in supercritical fluids (SCO), particularly water (SCWO), for disposal of propellants, explosives, and pyrotechnics (PEPs). The SCO studies of PEPs addressed the following issues: The efficiency of destruction of the substrate. The products of destruction contained in the effluents. Whether the process can be conducted safely on a large scale. Whether energy recovery from the process is economically practicable. The information essential for process development and equipment design was also investigated, including issues such as practical throughput of explosives through a SCWO reactor, reactor materials and corrosion, andmore » models for process design and optimization.« less

Mechanistic exploration of the catalytic cycles for the CO oxidation by O2 over FeO(1-3) application of the energetic span model.

PubMed

Wang, Huan-Jiang; Wang, Yong-Cheng

2014-06-01

Carbon monoxide (CO) and oxygen (O2) catalyzed by small neutral iron oxide clusters (FeO(1-3)) was investigated at the density functional level of theory using the Becke-Perdew-Wang functional (BPW91). Three reaction pathways along with singlet, triplet and quintet states were calculated for ascertaining the presence of some spin inversion during the catalytic cycle. The catalytic cycle was found to be "two state reactivity" resulting from the crossing among the multistate energetic profiles. The Landau-Zener equation was used to calculate the thermally-averaged spin transition probabilities for the non-adiabatic surface crossing reaction. In order to predict the efficiency of catalyst the energetic span model developed by Kozuch was implemented, whereas this model is not suitable for handling the diabatic reaction, this feature we must take into consideration. To this end, a kinetic assessment is carried out with an expansion of the energetic span model, including the spin-crossing effects. This approximation enables one to measure the efficiency of catalytic cycle including spin-crossing effects by quantum mechanical computation.

The influence of anthropometric, kinematic and energetic variables and gender on swimming performance in youth athletes.

PubMed

Morais, Jorge E; Garrido, Nuno D; Marques, Mário C; Silva, António J; Marinho, Daniel A; Barbosa, Tiago M

2013-12-18

(i) gender; (ii) performance and; (iii) gender versus performance interactions in young swimmers' anthropometric, kinematic and energetic variables. One hundred and thirty six young swimmers (62 boys: 12.76 ± 0.72 years old at Tanner stages 1-2 by self-evaluation; and 64 girls: 11.89 ± 0.93 years old at Tanner stages 1-2 by self-evaluation) were evaluated. Performance, anthropometrics, kinematics and energetic variables were selected. There was a non-significant gender effect on performance, body mass, height, arm span, trunk transverse surface area, stroke length, speed fluctuation, swimming velocity, propulsive efficiency, stroke index and critical velocity. A significant gender effect was found for foot surface area, hand surface area and stroke frequency. A significant sports level effect was verified for all variables, except for stroke frequency, speed fluctuation and propulsive efficiency. Overall, swimmers in quartile 1 (the ones with highest sports level) had higher anthropometric dimensions, better stroke mechanics and energetics. These traits decrease consistently throughout following quartiles up to the fourth one (i.e. swimmers with the lowest sports level). There was a non-significant interaction between gender and sports level for all variables. Our main conclusions were as follows: (i) there are non-significant differences in performance, anthropometrics, kinematics and energetics between boys and girls; (ii) swimmers with best performance are taller, have higher surface areas and better stroke mechanics; (iii) there are non-significant interactions between sports level and gender for anthropometrics, kinematics and energetics.

A data envelope analysis to assess factors affecting technical and economic efficiency of individual broiler breeder hens.

PubMed

Romero, L F; Zuidhof, M J; Jeffrey, S R; Naeima, A; Renema, R A; Robinson, F E

2010-08-01

This study evaluated the effect of feed allocation and energetic efficiency on technical and economic efficiency of broiler breeder hens using the data envelope analysis methodology and quantified the effect of variables affecting technical efficiency. A total of 288 Ross 708 pullets were placed in individual cages at 16 wk of age and assigned to 1 of 4 feed allocation groups. Three of them had feed allocated on a group basis with divergent BW targets: standard, high (standard x 1.1), and low (standard x 0.9). The fourth group had feed allocated on an individual bird basis following the standard BW target. Birds were classified in 3 energetic efficiency categories: low, average, and high, based on estimated maintenance requirements. Technical efficiency considered saleable chicks as output and cumulative ME intake and time as inputs. Economic efficiency of feed allocation treatments was analyzed under different cost scenarios. Birds with low feed allocation exhibited a lower technical efficiency (69.4%) than standard (72.1%), which reflected a reduced egg production rate. Feed allocation of the high treatment could have been reduced by 10% with the same chick production as the standard treatment. The low treatment exhibited reduced economic efficiency at greater capital costs, whereas high had reduced economic efficiency at greater feed costs. The average energetic efficiency hens had a lower technical efficiency in the low compared with the standard feed allocation. A 1% increment in estimated maintenance requirement changed technical efficiency by -0.23%, whereas a 1% increment in ME intake had a -0.47% effect. The negative relationship between technical efficiency and ME intake was counterbalanced by a positive correlation of ME intake and egg production. The negative relationship of technical efficiency and maintenance requirements was synergized by a negative correlation of hen maintenance and egg production. Economic efficiency methodologies are effective tools to assess the economic effect of selection and flock management programs because biological, allocative, and economic factors can be independently analyzed.

Optimal control, optimization and asymptotic analysis of Purcell's microswimmer model

NASA Astrophysics Data System (ADS)

Wiezel, Oren; Or, Yizhar

2016-11-01

Purcell's swimmer (1977) is a classic model of a three-link microswimmer that moves by performing periodic shape changes. Becker et al. (2003) showed that the swimmer's direction of net motion is reversed upon increasing the stroke amplitude of joint angles. Tam and Hosoi (2007) used numerical optimization in order to find optimal gaits for maximizing either net displacement or Lighthill's energetic efficiency. In our work, we analytically derive leading-order expressions as well as next-order corrections for both net displacement and energetic efficiency of Purcell's microswimmer. Using these expressions enables us to explicitly show the reversal in direction of motion, as well as obtaining an estimate for the optimal stroke amplitude. We also find the optimal swimmer's geometry for maximizing either displacement or energetic efficiency. Additionally, the gait optimization problem is revisited and analytically formulated as an optimal control system with only two state variables, which can be solved using Pontryagin's maximum principle. It can be shown that the optimal solution must follow a "singular arc". Numerical solution of the boundary value problem is obtained, which exactly reproduces Tam and Hosoi's optimal gait.

Plasmon-mediated Energy Conversion in Metal Nanoparticle-doped Hybrid Nanomaterials

NASA Astrophysics Data System (ADS)

Dunklin, Jeremy R.

Climate change and population growth demand long-term solutions for clean water and energy. Plasmon-active nanomaterials offer a promising route towards improved energetics for efficient chemical separation and light harvesting schemes. Two material platforms featuring highly absorptive plasmonic gold nanoparticles (AuNPs) are advanced herein to maximize photon conversion into thermal or electronic energy. Optical extinction, attributable to diffraction-induced internal reflection, was enhanced up to 1.5-fold in three-dimensional polymer films containing AuNPs at interparticle separations approaching the resonant wavelength. Comprehensive methods developed to characterize heat dissipation following plasmonic absorption was extended beyond conventional optical and heat transfer descriptions, where good agreement was obtained between measured and estimated thermal profiles for AuNP-polymer dispersions. Concurrently, in situ reduction of AuNPs on two-dimensional semiconducting tungsten disulfide (WS2) addressed two current material limitations for efficient light harvesting: low monolayer content and lack of optoelectronic tunability. Order-of-magnitude increases in WS2 monolayer content, enhanced broadband optical extinction, and energetic electron injection were probed using a combination of spectroscopic techniques and continuum electromagnetic descriptions. Together, engineering these plasmon-mediated hybrid nanomaterials to facilitate local exchange of optical, thermal, and electronic energy supports design and implementation into several emerging sustainable water and energy applications.

Rising Energetic Cost of Walking Predicts Gait Speed Decline With Aging.

PubMed

Schrack, Jennifer A; Zipunnikov, Vadim; Simonsick, Eleanor M; Studenski, Stephanie; Ferrucci, Luigi

2016-07-01

Slow gait is a robust biomarker of health and a predictor of functional decline and death in older adults, yet factors contributing to the decline in gait speed with aging are not well understood. Previous research suggests that the energetic cost of walking at preferred speed is inversely associated with gait speed, but whether individuals with a rising energetic cost of walking experience a steeper rate of gait speed decline has not been investigated. In participants of the Baltimore Longitudinal Study of Aging, the energetic cost of overground walking at preferred speed (mL/kg/m) was assessed between 2007 and 2014 using a portable indirect calorimeter. The longitudinal association between the energetic cost of walking and usual gait speed over 6 meters (m/s) was assessed with multivariate linear regression models, and the risk of slow gait (<1.0 m/s) was analyzed using Cox proportional hazards models. The study population consisted of 457 participants aged 40 and older who contributed 1,121 person-visits to the analysis. In fully adjusted models, increases in the energetic cost of walking predicted the rate of gait speed decline in those older than 65 years (β = -0.008 m/s, p < .001). Moreover, those with a higher energetic cost of walking (>0.17mL/kg/m) had a 57% greater risk of developing slow gait compared with a normal energetic cost of walking (≤0.17mL/kg/m; adjusted hazard ratio = 1.57, 95% confidence interval: 1.01-2.46). These findings suggest that strategies to maintain walking efficiency hold significant implications for maintaining mobility in late life. Efforts to curb threats to walking efficiency should focus on therapies to treat gait and balance impairments, and reduce clinical disease burden. © The Author 2016. Published by Oxford University Press on behalf of The Gerontological Society of America. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Sparse Partial Equilibrium Tables in Chemically Resolved Reactive Flow

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

Vitello, P; Fried, L E; Pudliner, B

2003-07-14

The detonation of an energetic material is the result of a complex interaction between kinetic chemical reactions and hydrodynamics. Unfortunately, little is known concerning the detailed chemical kinetics of detonations in energetic materials. CHEETAH uses rate laws to treat species with the slowest chemical reactions, while assuming other chemical species are in equilibrium. CHEETAH supports a wide range of elements and condensed detonation products and can also be applied to gas detonations. A sparse hash table of equation of state values, called the ''cache'' is used in CHEETAH to enhance the efficiency of kinetic reaction calculations. For large-scale parallel hydrodynamicmore » calculations, CHEETAH uses MPI communication to updates to the cache. We present here details of the sparse caching model used in the CHEETAH. To demonstrate the efficiency of modeling using a sparse cache model we consider detonations in energetic materials.« less

Sparse Partial Equilibrium Tables in Chemically Resolved Reactive Flow

NASA Astrophysics Data System (ADS)

Vitello, Peter; Fried, Laurence E.; Pudliner, Brian; McAbee, Tom

2004-07-01

The detonation of an energetic material is the result of a complex interaction between kinetic chemical reactions and hydrodynamics. Unfortunately, little is known concerning the detailed chemical kinetics of detonations in energetic materials. CHEETAH uses rate laws to treat species with the slowest chemical reactions, while assuming other chemical species are in equilibrium. CHEETAH supports a wide range of elements and condensed detonation products and can also be applied to gas detonations. A sparse hash table of equation of state values is used in CHEETAH to enhance the efficiency of kinetic reaction calculations. For large-scale parallel hydrodynamic calculations, CHEETAH uses parallel communication to updates to the cache. We present here details of the sparse caching model used in the CHEETAH coupled to an ALE hydrocode. To demonstrate the efficiency of modeling using a sparse cache model we consider detonations in energetic materials.

The role of three-dimensional transport in driving enhanced electron acceleration during magnetic reconnection

NASA Astrophysics Data System (ADS)

Swisdak, M.; Dahlin, J. T.; Drake, J. F.

2017-12-01

Magnetic reconnection is an important driver of energetic particles in many space and astrophysical phenomena. Using kinetic particle-in-cell simulations, we explore the effects that the dynamics in three-dimensions has on reconnection and the efficiency of particle acceleration. In two-dimensional systems, Alfvenic outflows expel energetic electrons into flux ropes where they become trapped and disconnected from acceleration regions. However, in three-dimensional systems these flux ropes develop axial structure that enables particles to leak out and return to acceleration regions. This requires a finite guide field so that particles may move quickly along the flux rope axis. The greatest energetic electron production occurs when the guide field is of the same order as the reconnecting component: large enough to facilitate strong transport, but not so large as to throttle the dominant Fermi mechanism responsible for efficient electron acceleration.

Convergent evolution in locomotory patterns of flying and swimming animals.

PubMed

Gleiss, Adrian C; Jorgensen, Salvador J; Liebsch, Nikolai; Sala, Juan E; Norman, Brad; Hays, Graeme C; Quintana, Flavio; Grundy, Edward; Campagna, Claudio; Trites, Andrew W; Block, Barbara A; Wilson, Rory P

2011-06-14

Locomotion is one of the major energetic costs faced by animals and various strategies have evolved to reduce its cost. Birds use interspersed periods of flapping and gliding to reduce the mechanical requirements of level flight while undergoing cyclical changes in flight altitude, known as undulating flight. Here we equipped free-ranging marine vertebrates with accelerometers and demonstrate that gait patterns resembling undulating flight occur in four marine vertebrate species comprising sharks and pinnipeds. Both sharks and pinnipeds display intermittent gliding interspersed with powered locomotion. We suggest, that the convergent use of similar gait patterns by distinct groups of animals points to universal physical and physiological principles that operate beyond taxonomic limits and shape common solutions to increase energetic efficiency. Energetically expensive large-scale migrations performed by many vertebrates provide common selection pressure for efficient locomotion, with potential for the convergence of locomotory strategies by a wide variety of species.

Genetic Polymorphisms and Weight Loss in Obesity: A Randomised Trial of Hypo-Energetic High- versus Low-Fat Diets

PubMed Central

Sørensen, Thorkild I. A; Boutin, Philippe; Taylor, Moira A; Larsen, Lesli H; Verdich, Camilla; Petersen, Liselotte; Holst, Claus; Echwald, Søren M; Dina, Christian; Toubro, Søren; Petersen, Martin; Polak, Jan; Clément, Karine; Martínez, J. Alfredo; Langin, Dominique; Oppert, Jean-Michel; Stich, Vladimir; Macdonald, Ian; Arner, Peter; Saris, Wim H. M; Pedersen, Oluf; Astrup, Arne; Froguel, Philippe

2006-01-01

Objectives: To study if genes with common single nucleotide polymorphisms (SNPs) associated with obesity-related phenotypes influence weight loss (WL) in obese individuals treated by a hypo-energetic low-fat or high-fat diet. Design: Randomised, parallel, two-arm, open-label multi-centre trial. Setting: Eight clinical centres in seven European countries. Participants: 771 obese adult individuals. Interventions: 10-wk dietary intervention to hypo-energetic (−600 kcal/d) diets with a targeted fat energy of 20%–25% or 40%–45%, completed in 648 participants. Outcome Measures: WL during the 10 wk in relation to genotypes of 42 SNPs in 26 candidate genes, probably associated with hypothalamic regulation of appetite, efficiency of energy expenditure, regulation of adipocyte differentiation and function, lipid and glucose metabolism, or production of adipocytokines, determined in 642 participants. Results: Compared with the noncarriers of each of the SNPs, and after adjusting for gender, age, baseline weight and centre, heterozygotes showed WL differences that ranged from −0.6 to 0.8 kg, and homozygotes, from −0.7 to 3.1 kg. Genotype-dependent additional WL on low-fat diet ranged from 1.9 to −1.6 kg in heterozygotes, and from 3.8 kg to −2.1 kg in homozygotes relative to the noncarriers. Considering the multiple testing conducted, none of the associations was statistically significant. Conclusions: Polymorphisms in a panel of obesity-related candidate genes play a minor role, if any, in modulating weight changes induced by a moderate hypo-energetic low-fat or high-fat diet. PMID:16871334

Screening in crystalline liquids protects energetic carriers in hybrid perovskites

NASA Astrophysics Data System (ADS)

Zhu, Haiming; Miyata, Kiyoshi; Fu, Yongping; Wang, Jue; Joshi, Prakriti; Niesner, Daniel; Williams, Kristopher; Jin, Song; Zhu, Xiaoyang

Hybrid lead halide perovskites exhibit carrier properties that resemble those of pristine nonpolar semiconductors despite static and dynamic disorder, but how carriers are protected from efficient scattering with charged defects and optical phonons is unknown. Here, we reveal the carrier protection mechanism by comparing three single-crystal lead bromide perovskites: CH3NH3PbBr3, CH(NH2)2PbBr3, and CsPbBr3. We observed hot fluorescence emission from energetic carriers with 102 picosecond lifetimes in CH3NH3PbBr3 or CH(NH,SUB>2)2PbBr3, but not in CsPbBr3. The hot fluorescence is correlated with liquid-like molecular reorientational motions, suggesting that dynamic screening protects energetic carriers via solvation or large polaron formation on time scales competitive with that of ultrafast cooling. Similar protections likely exist for band-edge carriers. The long-lived energetic carriers may enable hot-carrier solar cells with efficiencies exceeding the Shockley-Queisser limit. This work was supported by U.S. Department of Energy Grant ER46980, National Science Foundation, Grant DMR 1420634 (MRSEC), and Department of Energy Award DE-FG02-09ER46664.

Design and engineering of water-soluble light-harvesting protein maquettes

DOE PAGES

Kodali, Goutham; Mancini, Joshua A.; Solomon, Lee A.; ...

2017-01-01

Natural selection in photosynthesis has engineered tetrapyrrole based, nanometer scale, light harvesting and energy capture in light-induced charge separation. By designing and creating nanometer scale artificial light harvesting and charge separating proteins, we have the opportunity to reengineer and overcome the limitations of natural selection to extend energy capture to new wavelengths and to tailor efficient systems that better meet human as opposed to cellular energetic needs. While tetrapyrrole cofactor incorporation in natural proteins is complex and often assisted by accessory proteins for cofactor transport and insertion, artificial protein functionalization relies on a practical understanding of the basic physical chemistrymore » of protein and cofactors that drive nanometer scale self-assembly. Patterning and balancing of hydrophobic and hydrophilic tetrapyrrole substituents is critical to avoid natural or synthetic porphyrin and chlorin aggregation in aqueous media and speed cofactor partitioning into the non-polar core of a man-made water soluble protein designed according to elementary first principles of protein folding. In conclusion, this partitioning is followed by site-specific anchoring of tetrapyrroles to histidine ligands strategically placed for design control of rates and efficiencies of light energy and electron transfer while orienting at least one polar group towards the aqueous phase.« less

Design and engineering of water-soluble light-harvesting protein maquettes

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

Kodali, Goutham; Mancini, Joshua A.; Solomon, Lee A.

Natural selection in photosynthesis has engineered tetrapyrrole based, nanometer scale, light harvesting and energy capture in light-induced charge separation. By designing and creating nanometer scale artificial light harvesting and charge separating proteins, we have the opportunity to reengineer and overcome the limitations of natural selection to extend energy capture to new wavelengths and to tailor efficient systems that better meet human as opposed to cellular energetic needs. While tetrapyrrole cofactor incorporation in natural proteins is complex and often assisted by accessory proteins for cofactor transport and insertion, artificial protein functionalization relies on a practical understanding of the basic physical chemistrymore » of protein and cofactors that drive nanometer scale self-assembly. Patterning and balancing of hydrophobic and hydrophilic tetrapyrrole substituents is critical to avoid natural or synthetic porphyrin and chlorin aggregation in aqueous media and speed cofactor partitioning into the non-polar core of a man-made water soluble protein designed according to elementary first principles of protein folding. In conclusion, this partitioning is followed by site-specific anchoring of tetrapyrroles to histidine ligands strategically placed for design control of rates and efficiencies of light energy and electron transfer while orienting at least one polar group towards the aqueous phase.« less

Experimental Investigation of the Role of Defects in Detonation Sensitivity of Energetic Materials: Development of Techniques for Characterization

DTIC Science & Technology

2008-03-04

energetic materials. The initial work was focused on design and construction of an apparatus for injecting defects into the crystals using PZT ceramics ...the PIXEL description is of the energetic texture of crystalline materials not apparent in adequate. The next determinant, B, is a clear 0 ..H

Simplifying microbial electrosynthesis reactor design.

PubMed

Giddings, Cloelle G S; Nevin, Kelly P; Woodward, Trevor; Lovley, Derek R; Butler, Caitlyn S

2015-01-01

Microbial electrosynthesis, an artificial form of photosynthesis, can efficiently convert carbon dioxide into organic commodities; however, this process has only previously been demonstrated in reactors that have features likely to be a barrier to scale-up. Therefore, the possibility of simplifying reactor design by both eliminating potentiostatic control of the cathode and removing the membrane separating the anode and cathode was investigated with biofilms of Sporomusa ovata. S. ovata reduces carbon dioxide to acetate and acts as the microbial catalyst for plain graphite stick cathodes as the electron donor. In traditional 'H-cell' reactors, where the anode and cathode chambers were separated with a proton-selective membrane, the rates and columbic efficiencies of microbial electrosynthesis remained high when electron delivery at the cathode was powered with a direct current power source rather than with a potentiostat-poised cathode utilized in previous studies. A membrane-less reactor with a direct-current power source with the cathode and anode positioned to avoid oxygen exposure at the cathode, retained high rates of acetate production as well as high columbic and energetic efficiencies. The finding that microbial electrosynthesis is feasible without a membrane separating the anode from the cathode, coupled with a direct current power source supplying the energy for electron delivery, is expected to greatly simplify future reactor design and lower construction costs.

Dual fuel diesel engine operation using LPG

NASA Astrophysics Data System (ADS)

Mirica, I.; Pana, C.; Negurescu, N.; Cernat, Al; Nutu, N. C.

2016-08-01

Diesel engine fuelling with LPG represents a good solution to reduce the pollutant emissions and to improve its energetic performances. The high autoignition endurance of LPG requires specialized fuelling methods. From all possible LPG fuelling methods the authors chose the diesel-gas method because of the following reasons: is easy to be implemented even at already in use engines; the engine does not need important modifications; the LPG-air mixture has a high homogeneity with favorable influences over the combustion efficiency and over the level of the pollutant emissions, especially on the nitrogen oxides emissions. This paper presents results of the theoretical and experimental investigations on operation of a LPG fuelled heavy duty diesel engine at two operating regimens, 40% and 55%. For 55% engine load is also presented the exhaust gas recirculation influence on the pollutant emission level. Was determined the influence of the diesel fuel with LPG substitution ratio on the combustion parameters (rate of heat released, combustion duration, maximum pressure, maximum pressure rise rate), on the energetic parameters (indicate mean effective pressure, effective efficiency, energetic specific fuel consumption) and on the pollutant emissions level. Therefore with increasing substitute ratio of the diesel fuel with LPG are obtained the following results: the increase of the engine efficiency, the decrease of the specific energetic consumption, the increase of the maximum pressure and of the maximum pressure rise rate (considered as criteria to establish the optimum substitute ratio), the accentuated reduction of the nitrogen oxides emissions level.

Overall Traveling-Wave-Tube Efficiency Improved By Optimized Multistage Depressed Collector Design

NASA Technical Reports Server (NTRS)

Vaden, Karl R.

2002-01-01

Depressed Collector Design The microwave traveling wave tube (TWT) is used widely for space communications and high-power airborne transmitting sources. One of the most important features in designing a TWT is overall efficiency. Yet, overall TWT efficiency is strongly dependent on the efficiency of the electron beam collector, particularly for high values of collector efficiency. For these reasons, the NASA Glenn Research Center developed an optimization algorithm based on simulated annealing to quickly design highly efficient multistage depressed collectors (MDC's). Simulated annealing is a strategy for solving highly nonlinear combinatorial optimization problems. Its major advantage over other methods is its ability to avoid becoming trapped in local minima. Simulated annealing is based on an analogy to statistical thermodynamics, specifically the physical process of annealing: heating a material to a temperature that permits many atomic rearrangements and then cooling it carefully and slowly, until it freezes into a strong, minimum-energy crystalline structure. This minimum energy crystal corresponds to the optimal solution of a mathematical optimization problem. The TWT used as a baseline for optimization was the 32-GHz, 10-W, helical TWT developed for the Cassini mission to Saturn. The method of collector analysis and design used was a 2-1/2-dimensional computational procedure that employs two types of codes, a large signal analysis code and an electron trajectory code. The large signal analysis code produces the spatial, energetic, and temporal distributions of the spent beam entering the MDC. An electron trajectory code uses the resultant data to perform the actual collector analysis. The MDC was optimized for maximum MDC efficiency and minimum final kinetic energy of all collected electrons (to reduce heat transfer). The preceding figure shows the geometric and electrical configuration of an optimized collector with an efficiency of 93.8 percent. The results show the improvement in collector efficiency from 89.7 to 93.8 percent, resulting in an increase of three overall efficiency points. In addition, the time to design a highly efficient MDC was reduced from a month to a few days. All work was done in-house at Glenn for the High Rate Data Delivery Program. Future plans include optimizing the MDC and TWT interaction circuit in tandem to further improve overall TWT efficiency.

Numerical simulation of the trajectory of a light ray propagating through an optic system with non-centered spherical diopters and broken optic axis

NASA Astrophysics Data System (ADS)

Bacescu, D.; Ivanov, I.

2006-03-01

The present paper is devoted to the elaboration of a strategy for the design of some practical focusing devices for the radiation emitted by a high-power laser used in thermal treatment processes. Usually, technological solutions employ spherical mirrors. Because spherical mirrors introduce a certain astigmatism, it is necessary to get an energetically efficient configuration which reduces as much as possible the astigmatic difference, thus concentrating the laser radiation energy which is distributed within the area between the sagital and meridional foci.

A comparison of energetic ions in the plasma depletion layer and the quasi-parallel magnetosheath

NASA Technical Reports Server (NTRS)

Fuselier, Stephen A.

1994-01-01

Energetic ion spectra measured by the Active Magnetospheric Particle Tracer Explorers/Charge Composition Explorer (AMPTE/CCE) downstream from the Earth's quasi-parallel bow shock (in the quasi-parallel magnetosheath) and in the plasma depletion layer are compared. In the latter region, energetic ions are from a single source, leakage of magnetospheric ions across the magnetopause and into the plasma depletion layer. In the former region, both the magnetospheric source and shock acceleration of the thermal solar wind population at the quasi-parallel shock can contribute to the energetic ion spectra. The relative strengths of these two energetic ion sources are determined through the comparison of spectra from the two regions. It is found that magnetospheric leakage can provide an upper limit of 35% of the total energetic H(+) population in the quasi-parallel magnetosheath near the magnetopause in the energy range from approximately 10 to approximately 80 keV/e and substantially less than this limit for the energetic He(2+) population. The rest of the energetic H(+) population and nearly all of the energetic He(2+) population are accelerated out of the thermal solar wind population through shock acceleration processes. By comparing the energetic and thermal He(2+) and H(+) populations in the quasi-parallel magnetosheath, it is found that the quasi-parallel bow shock is 2 to 3 times more efficient at accelerating He(2+) than H(+). This result is consistent with previous estimates from shock acceleration theory and simulati ons.

A Survey of WEC Reliability, Survival and Design Practices

DOE PAGES

Coe, Ryan G.; Yu, Yi-Hsiang; van Rij, Jennifer

2017-12-21

A wave energy converter must be designed to survive and function efficiently, often in highly energetic ocean environments. This represents a challenging engineering problem, comprising systematic failure mode analysis, environmental characterization, modeling, experimental testing, fatigue and extreme response analysis. While, when compared with other ocean systems such as ships and offshore platforms, there is relatively little experience in wave energy converter design, a great deal of recent work has been done within these various areas. Here, this article summarizes the general stages and workflow for wave energy converter design, relying on supporting articles to provide insight. By surveying published workmore » on wave energy converter survival and design response analyses, this paper seeks to provide the reader with an understanding of the different components of this process and the range of methodologies that can be brought to bear. In this way, the reader is provided with a large set of tools to perform design response analyses on wave energy converters.« less

A Survey of WEC Reliability, Survival and Design Practices

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

Coe, Ryan G.; Yu, Yi-Hsiang; van Rij, Jennifer

A wave energy converter must be designed to survive and function efficiently, often in highly energetic ocean environments. This represents a challenging engineering problem, comprising systematic failure mode analysis, environmental characterization, modeling, experimental testing, fatigue and extreme response analysis. While, when compared with other ocean systems such as ships and offshore platforms, there is relatively little experience in wave energy converter design, a great deal of recent work has been done within these various areas. Here, this article summarizes the general stages and workflow for wave energy converter design, relying on supporting articles to provide insight. By surveying published workmore » on wave energy converter survival and design response analyses, this paper seeks to provide the reader with an understanding of the different components of this process and the range of methodologies that can be brought to bear. In this way, the reader is provided with a large set of tools to perform design response analyses on wave energy converters.« less

Electron heating and acceleration during magnetic reconnection

NASA Astrophysics Data System (ADS)

Dahlin, Joel

2017-10-01

Magnetic reconnection is thought to be an important driver of energetic particles in a variety of astrophysical phenomena such as solar flares and magnetospheric storms. However, the observed fraction of energy imparted to a nonthermal component can vary widely in different regimes. We use kinetic particle-in-cell (PIC) simulations to demonstrate the important role of the non-reversing (guide) field in controlling the efficiency of electron acceleration in collisionless reconnection. In reconnection where the guide field is smaller than the reconnecting component, the dominant electron accelerator is a Fermi-type mechanism that preferentially energizes the most energetic particles. In strong guide field reconnection, the field-line contraction that drives the Fermi mechanism becomes weak. Instead, parallel electric fields are primarily responsible for driving electron heating but are ineffective in driving the energetic component of the spectrum. Three-dimensional simulations reveal that the stochastic magnetic field that develops during 3D guide field reconnection plays a vital role in particle acceleration and transport. The reconnection outflows that drive Fermi acceleration also expel accelerating particles from energization regions. In 2D reconnection, electrons are trapped in island cores and acceleration ceases, whereas in 3D the stochastic magnetic field enables energetic electrons to leak out of islands and freely sample regions of energy release. A finite guide field is required to break initial 2D symmetry and facilitate escape from island structures. We show that reconnection with a guide field comparable to the reconnecting field generates the greatest number of energetic electrons, a regime where both (a) the Fermi mechanism is an efficient driver and (b) energetic electrons may freely access acceleration sites. These results have important implications for electron acceleration in solar flares and reconnection-driven dissipation in turbulence.

The energetics of fish growth and how it constrains food-web trophic structure.

PubMed

Barneche, Diego R; Allen, Andrew P

2018-06-01

The allocation of metabolic energy to growth fundamentally influences all levels of biological organisation. Here we use a first-principles theoretical model to characterise the energetics of fish growth at distinct ontogenetic stages and in distinct thermal regimes. Empirically, we show that the mass scaling of growth rates follows that of metabolic rate, and is somewhat steeper at earlier ontogenetic stages. We also demonstrate that the cost of growth, E m , varies substantially among fishes, and that it may increase with temperature, trophic level and level of activity. Theoretically, we show that E m is a primary determinant of the efficiency of energy transfer across trophic levels, and that energy is transferred more efficiently between trophic levels if the prey are young and sedentary. Overall, our study demonstrates the importance of characterising the energetics of individual growth in order to understand constraints on the structure of food webs and ecosystems. © 2018 John Wiley & Sons Ltd/CNRS.

The role of three-dimensional transport in driving enhanced electron acceleration during magnetic reconnection

NASA Astrophysics Data System (ADS)

Dahlin, J. T.; Drake, J. F.; Swisdak, M.

2017-09-01

Magnetic reconnection is an important driver of energetic particles in many astrophysical phenomena. Using kinetic particle-in-cell simulations, we explore the impact of three-dimensional reconnection dynamics on the efficiency of particle acceleration. In two-dimensional systems, Alfvénic outflows expel energetic electrons into flux ropes where they become trapped and disconnected from acceleration regions. However, in three-dimensional systems these flux ropes develop an axial structure that enables particles to leak out and return to acceleration regions. This requires a finite guide field so that particles may move quickly along the flux rope axis. We show that greatest energetic electron production occurs when the guide field is of the same order as the reconnecting component: large enough to facilitate strong transport, but not so large as to throttle the dominant Fermi mechanism responsible for efficient electron acceleration. This suggests a natural explanation for the envelope of electron acceleration during the impulsive phase of eruptive flares.

Optimal design and operation of solid oxide fuel cell systems for small-scale stationary applications

NASA Astrophysics Data System (ADS)

Braun, Robert Joseph

The advent of maturing fuel cell technologies presents an opportunity to achieve significant improvements in energy conversion efficiencies at many scales; thereby, simultaneously extending our finite resources and reducing "harmful" energy-related emissions to levels well below that of near-future regulatory standards. However, before realization of the advantages of fuel cells can take place, systems-level design issues regarding their application must be addressed. Using modeling and simulation, the present work offers optimal system design and operation strategies for stationary solid oxide fuel cell systems applied to single-family detached dwellings. A one-dimensional, steady-state finite-difference model of a solid oxide fuel cell (SOFC) is generated and verified against other mathematical SOFC models in the literature. Fuel cell system balance-of-plant components and costs are also modeled and used to provide an estimate of system capital and life cycle costs. The models are used to evaluate optimal cell-stack power output, the impact of cell operating and design parameters, fuel type, thermal energy recovery, system process design, and operating strategy on overall system energetic and economic performance. Optimal cell design voltage, fuel utilization, and operating temperature parameters are found using minimization of the life cycle costs. System design evaluations reveal that hydrogen-fueled SOFC systems demonstrate lower system efficiencies than methane-fueled systems. The use of recycled cell exhaust gases in process design in the stack periphery are found to produce the highest system electric and cogeneration efficiencies while achieving the lowest capital costs. Annual simulations reveal that efficiencies of 45% electric (LHV basis), 85% cogenerative, and simple economic paybacks of 5--8 years are feasible for 1--2 kW SOFC systems in residential-scale applications. Design guidelines that offer additional suggestions related to fuel cell-stack sizing and operating strategy (base-load or load-following and cogeneration or electric-only) are also presented.

Protein electron transfer: Dynamics and statistics

NASA Astrophysics Data System (ADS)

Matyushov, Dmitry V.

2013-07-01

Electron transfer between redox proteins participating in energy chains of biology is required to proceed with high energetic efficiency, minimizing losses of redox energy to heat. Within the standard models of electron transfer, this requirement, combined with the need for unidirectional (preferably activationless) transitions, is translated into the need to minimize the reorganization energy of electron transfer. This design program is, however, unrealistic for proteins whose active sites are typically positioned close to the polar and flexible protein-water interface to allow inter-protein electron tunneling. The high flexibility of the interfacial region makes both the hydration water and the surface protein layer act as highly polar solvents. The reorganization energy, as measured by fluctuations, is not minimized, but rather maximized in this region. Natural systems in fact utilize the broad breadth of interfacial electrostatic fluctuations, but in the ways not anticipated by the standard models based on equilibrium thermodynamics. The combination of the broad spectrum of static fluctuations with their dispersive dynamics offers the mechanism of dynamical freezing (ergodicity breaking) of subsets of nuclear modes on the time of reaction/residence of the electron at a redox cofactor. The separation of time-scales of nuclear modes coupled to electron transfer allows dynamical freezing. In particular, the separation between the relaxation time of electro-elastic fluctuations of the interface and the time of conformational transitions of the protein caused by changing redox state results in dynamical freezing of the latter for sufficiently fast electron transfer. The observable consequence of this dynamical freezing is significantly different reorganization energies describing the curvature at the bottom of electron-transfer free energy surfaces (large) and the distance between their minima (Stokes shift, small). The ratio of the two reorganization energies establishes the parameter by which the energetic efficiency of protein electron transfer is increased relative to the standard expectations, thus minimizing losses of energy to heat. Energetically efficient electron transfer occurs in a chain of conformationally quenched cofactors and is characterized by flattened free energy surfaces, reminiscent of the flat and rugged landscape at the stability basin of a folded protein.

Protein electron transfer: Dynamics and statistics.

PubMed

Matyushov, Dmitry V

2013-07-14

Electron transfer between redox proteins participating in energy chains of biology is required to proceed with high energetic efficiency, minimizing losses of redox energy to heat. Within the standard models of electron transfer, this requirement, combined with the need for unidirectional (preferably activationless) transitions, is translated into the need to minimize the reorganization energy of electron transfer. This design program is, however, unrealistic for proteins whose active sites are typically positioned close to the polar and flexible protein-water interface to allow inter-protein electron tunneling. The high flexibility of the interfacial region makes both the hydration water and the surface protein layer act as highly polar solvents. The reorganization energy, as measured by fluctuations, is not minimized, but rather maximized in this region. Natural systems in fact utilize the broad breadth of interfacial electrostatic fluctuations, but in the ways not anticipated by the standard models based on equilibrium thermodynamics. The combination of the broad spectrum of static fluctuations with their dispersive dynamics offers the mechanism of dynamical freezing (ergodicity breaking) of subsets of nuclear modes on the time of reaction/residence of the electron at a redox cofactor. The separation of time-scales of nuclear modes coupled to electron transfer allows dynamical freezing. In particular, the separation between the relaxation time of electro-elastic fluctuations of the interface and the time of conformational transitions of the protein caused by changing redox state results in dynamical freezing of the latter for sufficiently fast electron transfer. The observable consequence of this dynamical freezing is significantly different reorganization energies describing the curvature at the bottom of electron-transfer free energy surfaces (large) and the distance between their minima (Stokes shift, small). The ratio of the two reorganization energies establishes the parameter by which the energetic efficiency of protein electron transfer is increased relative to the standard expectations, thus minimizing losses of energy to heat. Energetically efficient electron transfer occurs in a chain of conformationally quenched cofactors and is characterized by flattened free energy surfaces, reminiscent of the flat and rugged landscape at the stability basin of a folded protein.

Apparatus and method for extracting power from energetic ions produced in nuclear fusion

DOEpatents

Fisch, N.J.; Rax, J.M.

1994-12-20

An apparatus and method of extracting power from energetic ions produced by nuclear fusion in a toroidal plasma to enhance respectively the toroidal plasma current and fusion reactivity. By injecting waves of predetermined frequency and phase traveling substantially in a selected poloidal direction within the plasma, the energetic ions become diffused in energy and space such that the energetic ions lose energy and amplify the waves. The amplified waves are further adapted to travel substantially in a selected toroidal direction to increase preferentially the energy of electrons traveling in one toroidal direction which, in turn, enhances or generates a toroidal plasma current. In an further adaptation, the amplified waves can be made to preferentially increase the energy of fuel ions within the plasma to enhance the fusion reactivity of the fuel ions. The described direct, or in situ, conversion of the energetic ion energy provides an efficient and economical means of delivering power to a fusion reactor. 4 figures.

Apparatus and method for extracting power from energetic ions produced in nuclear fusion

DOEpatents

Fisch, Nathaniel J.; Rax, Jean M.

1994-01-01

An apparatus and method of extracting power from energetic ions produced by nuclear fusion in a toroidal plasma to enhance respectively the toroidal plasma current and fusion reactivity. By injecting waves of predetermined frequency and phase traveling substantially in a selected poloidal direction within the plasma, the energetic ions become diffused in energy and space such that the energetic ions lose energy and amplify the waves. The amplified waves are further adapted to travel substantially in a selected toroidal direction to increase preferentially the energy of electrons traveling in one toroidal direction which, in turn, enhances or generates a toroidal plasma current. In an further adaptation, the amplified waves can be made to preferentially increase the energy of fuel ions within the plasma to enhance the fusion reactivity of the fuel ions. The described direct, or in situ, conversion of the energetic ion energy provides an efficient and economical means of delivering power to a fusion reactor.

Benchtop Energetics Progress

DTIC Science & Technology

2011-07-01

sensitivity. We employ direct laser irradiation, and indirect laser-driven shock, techniques to initiate thin-film explosive samples contained in a...energetic events in a few minutes. 14. ABSTRACT A detonation wave passing through an organic explosive , such as pentaerythritol tetranitrate (PETN...C5H4N4O12), is remarkably efficient in converting the solid explosive into final thermodynamically-stable gaseous products (e.g. N2, CO2, H2O

Binders for Energetics - Modelling and Synthesis in Harmony

NASA Astrophysics Data System (ADS)

Dossi, Licia; Cleaver, Doug; Gould, Peter; Dunnett, Jim; Cavaye, Hamish; Ellison, Laurence; Luppi, Federico; Hollands, Ron; Bradley, Mark

The Binders by Design UK programme develop new polymeric materials for energetic applications that can overcome problems related to chemico-physical properties, aging, additives, environmental and performance of energetic compositions. Combined multi-scale modelling and experiment is used for the development of a new modelling tool and with the aim to produce novel materials with great confidence and fast turnaround. New synthesised binders with attractive properties for energetic applications used to provide a high level of confidence in the results of developed models. Molecular dynamics simulations investigate the thermal behaviour and the results directly feed into a Group Interaction Model (GIM). A viscoelastic constitutive model has been developed examining stress development in energetic/binder configurations. GIM data has been used as the basis for developing hydrocode equations of state, which then applied in run-to-detonation type investigations to examine the effect of the shock properties of a binder on the reactivity of a typical Polymer Bonded Explosive in a high-velocity impact type scenario. The Binders by Design UK programme is funded through the Weapons Science and Technology Centre by DSTL.

Computational Chemistry Toolkit for Energetic Materials Design

DTIC Science & Technology

2006-11-01

industry are aggressively engaged in efforts to develop multiscale modeling and simulation methodologies to model and analyze complex phenomena across...energetic materials design. It is hoped that this toolkit will evolve into a collection of well-integrated multiscale modeling methodologies...Experimenta Theoreticala This Work 1-5-Diamino-4- methyl- tetrazolium nitrate 8.4 41.7 47.5 1-5-Diamino-4- methyl- tetrazolium azide 138.1 161.6

Production and energetic use of biogas from energy crops and wastes in Germany.

PubMed

Weiland, Peter

2003-01-01

The production of biogas for reducing fossil CO2 emissions is one of the key strategic issues of the German government and has resulted in the development of new process techniques and new technologies for the energetic use of biogas. Progress has been made in cultivating energy crops for biogas production, in using new reactor systems for anaerobic digestion, and in applying more efficient technologies for combined heat and power production. Recently, integration of fuel cells within the anaerobic digestion process was started, and new technologies for biogas upgrading and conversion to hydrogen were tested. This article describes the trends in Germany for achieving more efficient energy production.

The accurate particle tracer code

NASA Astrophysics Data System (ADS)

Wang, Yulei; Liu, Jian; Qin, Hong; Yu, Zhi; Yao, Yicun

2017-11-01

The Accurate Particle Tracer (APT) code is designed for systematic large-scale applications of geometric algorithms for particle dynamical simulations. Based on a large variety of advanced geometric algorithms, APT possesses long-term numerical accuracy and stability, which are critical for solving multi-scale and nonlinear problems. To provide a flexible and convenient I/O interface, the libraries of Lua and Hdf5 are used. Following a three-step procedure, users can efficiently extend the libraries of electromagnetic configurations, external non-electromagnetic forces, particle pushers, and initialization approaches by use of the extendible module. APT has been used in simulations of key physical problems, such as runaway electrons in tokamaks and energetic particles in Van Allen belt. As an important realization, the APT-SW version has been successfully distributed on the world's fastest computer, the Sunway TaihuLight supercomputer, by supporting master-slave architecture of Sunway many-core processors. Based on large-scale simulations of a runaway beam under parameters of the ITER tokamak, it is revealed that the magnetic ripple field can disperse the pitch-angle distribution significantly and improve the confinement of energetic runaway beam on the same time.

Investigating the Energetic Ordering of Stable and Metastable TiO 2 Polymorphs Using DFT+ U and Hybrid Functionals

DOE PAGES

Curnan, Matthew T.; Kitchin, John R.

2015-08-12

Prediction of transition metal oxide BO 2 (B = Ti, V, etc.) polymorph energetic properties is critical to tunable material design and identifying thermodynamically accessible structures. Determining procedures capable of synthesizing particular polymorphs minimally requires prior knowledge of their relative energetic favorability. Information concerning TiO 2 polymorph relative energetic favorability has been ascertained from experimental research. In this study, the consistency of first-principles predictions and experimental results involving the relative energetic ordering of stable (rutile), metastable (anatase and brookite), and unstable (columbite) TiO 2 polymorphs is assessed via density functional theory (DFT). Considering the issues involving electron–electron interaction and chargemore » delocalization in TiO 2 calculations, relative energetic ordering predictions are evaluated over trends varying Ti Hubbard U 3d or exact exchange fraction parameter values. Energetic trends formed from varying U 3d predict experimentally consistent energetic ordering over U 3d intervals when using GGA-based functionals, regardless of pseudopotential selection. Given pertinent linear response calculated Hubbard U values, these results enable TiO 2 polymorph energetic ordering prediction. Here, the hybrid functional calculations involving rutile–anatase relative energetics, though demonstrating experimentally consistent energetic ordering over exact exchange fraction ranges, are not accompanied by predicted fractions, for a first-principles methodology capable of calculating exact exchange fractions precisely predicting TiO 2 polymorph energetic ordering is not available.« less

Interplay between structure, stoichiometry, and electron transfer dynamics in SILAR-based quantum dot-sensitized oxides.

PubMed

Wang, Hai; Barceló, Irene; Lana-Villarreal, Teresa; Gómez, Roberto; Bonn, Mischa; Cánovas, Enrique

2014-10-08

We quantify the rate and efficiency of picosecond electron transfer (ET) from PbS nanocrystals, grown by successive ionic layer adsorption and reaction (SILAR), into a mesoporous SnO2 support. Successive SILAR deposition steps allow for stoichiometry- and size-variation of the QDs, characterized using transmission electron microscopy. Whereas for sulfur-rich (p-type) QD surfaces substantial electron trapping at the QD surface occurs, for lead-rich (n-type) QD surfaces, the QD trapping channel is suppressed and the ET efficiency is boosted. The ET efficiency increase achieved by lead-rich QD surfaces is found to be QD-size dependent, increasing linearly with QD surface area. On the other hand, ET rates are found to be independent of both QD size and surface stoichiometry, suggesting that the donor-acceptor energetics (constituting the driving force for ET) are fixed due to Fermi level pinning at the QD/oxide interface. Implications of our results for QD-sensitized solar cell design are discussed.

Energy-efficient growth of phage Q Beta in Escherichia coli.

PubMed

Kim, Hwijin; Yin, John

2004-10-20

The role of natural selection in the optimal design of organisms is controversial. Optimal forms, functions, or behaviors of organisms have long been claimed without knowledge of how genotype contributes to phenotype, delineation of design constraints, or reference to alternative designs. Moreover, arguments for optimal designs have been often based on models that were difficult, if not impossible, to test. Here, we begin to address these issues by developing and probing a kinetic model for the intracellular growth of bacteriophage Q beta in Escherichia coli. The model accounts for the energetic costs of all template-dependent polymerization reactions, in ATP equivalents, including RNA-dependent RNA elongation by the phage replicase and synthesis of all phage proteins by the translation machinery of the E. coli host cell. We found that translation dominated phage growth, requiring 85% of the total energy expenditure. Only 10% of the total energy was applied to activities other than the direct synthesis of progeny phage components, reflecting primarily the cost of making the negative-strand RNA template that is needed for replication of phage genomic RNA. Further, we defined an energy efficiency of phage growth and showed its direct relationship to the yield of phage progeny. Finally, we performed a sensitivity analysis and found that the growth of wild-type phage was optimized for progeny yield or energy efficiency, suggesting that phage Q beta has evolved to optimally utilize the finite resources of its host cells.

Swimming efficiency in a shear-thinning fluid

NASA Astrophysics Data System (ADS)

Nganguia, Herve; Pietrzyk, Kyle; Pak, On Shun

2017-12-01

Micro-organisms expend energy moving through complex media. While propulsion speed is an important property of locomotion, efficiency is another factor that may determine the swimming gait adopted by a micro-organism in order to locomote in an energetically favorable manner. The efficiency of swimming in a Newtonian fluid is well characterized for different biological and artificial swimmers. However, these swimmers often encounter biological fluids displaying shear-thinning viscosities. Little is known about how this nonlinear rheology influences the efficiency of locomotion. Does the shear-thinning rheology render swimming more efficient or less? How does the swimming efficiency depend on the propulsion mechanism of a swimmer and rheological properties of the surrounding shear-thinning fluid? In this work, we address these fundamental questions on the efficiency of locomotion in a shear-thinning fluid by considering the squirmer model as a general locomotion model to represent different types of swimmers. Our analysis reveals how the choice of surface velocity distribution on a squirmer may reduce or enhance the swimming efficiency. We determine optimal shear rates at which the swimming efficiency can be substantially enhanced compared with the Newtonian case. The nontrivial variations of swimming efficiency prompt questions on how micro-organisms may tune their swimming gaits to exploit the shear-thinning rheology. The findings also provide insights into how artificial swimmers should be designed to move through complex media efficiently.

The absorption of energetic electrons by molecular hydrogen gas

NASA Technical Reports Server (NTRS)

Cravens, T. E.; Victor, G. A.; Dalgarno, A.

1975-01-01

The processes by which energetic electrons lose energy in a weakly ionized gas of molecular hydrogen are analyzed, and calculations are carried out taking into account the discrete nature of the excitation processes. The excitation, ionization, and heating efficiencies are computed for electrons with energies up to 100 eV absorbed in a gas with fractional ionizations up to 0.01, and the mean energy per pair of neutral hydrogen atoms is calculated.

Magnetohydrodynamic drag reduction and its efficiency

NASA Astrophysics Data System (ADS)

Shatrov, V.; Gerbeth, G.

2007-03-01

We present results of direct numerical simulations of a turbulent channel flow influenced by electromagnetic forces. The magnetohydrodynamic Lorentz force is created by the interaction of a steady magnetic field and electric currents fed to the fluid via electrodes placed at the wall surface. Two different cases are considered. At first, a time-oscillating electric current and a steady magnetic field create a spanwise time-oscillating Lorentz force. In the second case, a stationary electric current and a steady magnetic field create a steady, mainly streamwise Lorentz force. Besides the viscous drag, the importance of the electromagnetic force acting on the wall is figured out. Regarding the energetic efficiency, it is demonstrated that in all cases a balance between applied and flow-induced electric currents improves the efficiency significantly. But even then, the case of a spanwise oscillating Lorentz force remains with a very low efficiency, whereas for the self-propelled regime in the case of a steady streamwise force, much higher efficiencies are found. Still, no set of parameters has yet been found for which an energetic breakthrough, i.e., a saved power exceeding the used power, is reached.

Combustion Dynamics of Biocidal Metal-Based Energetic Components in Turbulent Reactive Flows

DTIC Science & Technology

2015-11-01

imperative for successful design of respective metalized energetic systems. This predictive ability must rely on accurate models describing...powders was reported to vary from 900 to 1200 K, depending on milling conditions (Zhang et al. 2010a). Another reactive material designed to...the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter, 845 II; Baltimore, MD), pp. 972-975. Fuchs

Cyclic bouts of extreme bradycardia counteract the high metabolism of frugivorous bats

PubMed Central

Wikelski, Martin; Voigt, Christian C; Ter Maat, Andries; Pollock, Henry S; Burness, Gary; Desantis, Lanna M; Dechmann, Dina KN

2017-01-01

Active flight requires the ability to efficiently fuel bursts of costly locomotion while maximizing energy conservation during non-flying times. We took a multi-faceted approach to estimate how fruit-eating bats (Uroderma bilobatum) manage a high-energy lifestyle fueled primarily by fig juice. Miniaturized heart rate telemetry shows that they use a novel, cyclic, bradycardic state that reduces daily energetic expenditure by 10% and counteracts heart rates as high as 900 bpm during flight. Uroderma bilobatum support flight with some of the fastest metabolic incorporation rates and dynamic circulating cortisol in vertebrates. These bats will exchange fat reserves within 24 hr, meaning that they must survive on the food of the day and are at daily risk of starvation. Energetic flexibly in U. bilobatum highlights the fundamental role of ecological pressures on integrative energetic networks and the still poorly understood energetic strategies of animals in the tropics. PMID:28923167

Shifts in growth strategies reflect tradeoffs in cellular economics

PubMed Central

Molenaar, Douwe; van Berlo, Rogier; de Ridder, Dick; Teusink, Bas

2009-01-01

The growth rate-dependent regulation of cell size, ribosomal content, and metabolic efficiency follows a common pattern in unicellular organisms: with increasing growth rates, cell size and ribosomal content increase and a shift to energetically inefficient metabolism takes place. The latter two phenomena are also observed in fast growing tumour cells and cell lines. These patterns suggest a fundamental principle of design. In biology such designs can often be understood as the result of the optimization of fitness. Here we show that in basic models of self-replicating systems these patterns are the consequence of maximizing the growth rate. Whereas most models of cellular growth consider a part of physiology, for instance only metabolism, the approach presented here integrates several subsystems to a complete self-replicating system. Such models can yield fundamentally different optimal strategies. In particular, it is shown how the shift in metabolic efficiency originates from a tradeoff between investments in enzyme synthesis and metabolic yields for alternative catabolic pathways. The models elucidate how the optimization of growth by natural selection shapes growth strategies. PMID:19888218

Pulmonary arterial hypertension reduces energy efficiency of right, but not left, rat ventricular trabeculae.

PubMed

Pham, Toan; Nisbet, Linley; Taberner, Andrew; Loiselle, Denis; Han, June-Chiew

2018-04-01

Pulmonary arterial hypertension (PAH) triggers right ventricle (RV) hypertrophy and left ventricle (LV) atrophy, which progressively leads to heart failure. We designed experiments under conditions mimicking those encountered by the heart in vivo that allowed us to investigate whether consequent structural and functional remodelling of the ventricles affects their respective energy efficiencies. We found that peak work output was lower in RV trabeculae from PAH rats due to reduced extent and velocity of shortening. However, their suprabasal enthalpy was unaffected due to increased activation heat, resulting in reduced suprabasal efficiency. There was no effect of PAH on LV suprabasal efficiency. We conclude that the mechanism underlying the reduced energy efficiency of hypertrophied RV tissues is attributable to the increased energy cost of Ca 2+ cycling, whereas atrophied LV tissues still maintain normal mechano-energetic performance. Pulmonary arterial hypertension (PAH) greatly increases the afterload on the right ventricle (RV), triggering RV hypertrophy, which progressively leads to RV failure. In contrast, the disease reduces the passive filling pressure of the left ventricle (LV), resulting in LV atrophy. We investigated whether these distinct structural and functional consequences to the ventricles affect their respective energy efficiencies. We studied trabeculae isolated from both ventricles of Wistar rats with monocrotaline-induced PAH and their respective Control groups. Trabeculae were mounted in a calorimeter at 37°C. While contracting at 5 Hz, they were subjected to stress-length work-loops over a wide range of afterloads. They were subsequently required to undergo a series of isometric contractions at various muscle lengths. In both protocols, stress production, length change and suprabasal heat output were simultaneously measured. We found that RV trabeculae from PAH rats generated higher activation heat, but developed normal active stress. Their peak external work output was lower due to reduced extent and velocity of shortening. Despite lower peak work output, suprabasal enthalpy was unaffected, thereby rendering suprabasal efficiency lower. Crossbridge efficiency, however, was unaffected. In contrast, LV trabeculae from PAH rats maintained normal mechano-energetic performance. Pulmonary arterial hypertension reduces the suprabasal energy efficiency of hypertrophied right ventricular tissues as a consequence of the increased energy cost of Ca 2+ cycling. © 2018 The Authors. The Journal of Physiology © 2018 The Physiological Society.

pH determines the energetic efficiency of the cyanobacterial CO2 concentrating mechanism.

PubMed

Mangan, Niall M; Flamholz, Avi; Hood, Rachel D; Milo, Ron; Savage, David F

2016-09-06

Many carbon-fixing bacteria rely on a CO2 concentrating mechanism (CCM) to elevate the CO2 concentration around the carboxylating enzyme ribulose bisphosphate carboxylase/oxygenase (RuBisCO). The CCM is postulated to simultaneously enhance the rate of carboxylation and minimize oxygenation, a competitive reaction with O2 also catalyzed by RuBisCO. To achieve this effect, the CCM combines two features: active transport of inorganic carbon into the cell and colocalization of carbonic anhydrase and RuBisCO inside proteinaceous microcompartments called carboxysomes. Understanding the significance of the various CCM components requires reconciling biochemical intuition with a quantitative description of the system. To this end, we have developed a mathematical model of the CCM to analyze its energetic costs and the inherent intertwining of physiology and pH. We find that intracellular pH greatly affects the cost of inorganic carbon accumulation. At low pH the inorganic carbon pool contains more of the highly cell-permeable H2CO3, necessitating a substantial expenditure of energy on transport to maintain internal inorganic carbon levels. An intracellular pH ≈8 reduces leakage, making the CCM significantly more energetically efficient. This pH prediction coincides well with our measurement of intracellular pH in a model cyanobacterium. We also demonstrate that CO2 retention in the carboxysome is necessary, whereas selective uptake of HCO3 (-) into the carboxysome would not appreciably enhance energetic efficiency. Altogether, integration of pH produces a model that is quantitatively consistent with cyanobacterial physiology, emphasizing that pH cannot be neglected when describing biological systems interacting with inorganic carbon pools.

pH determines the energetic efficiency of the cyanobacterial CO2 concentrating mechanism

PubMed Central

Flamholz, Avi; Hood, Rachel D.; Milo, Ron

2016-01-01

Many carbon-fixing bacteria rely on a CO2 concentrating mechanism (CCM) to elevate the CO2 concentration around the carboxylating enzyme ribulose bisphosphate carboxylase/oxygenase (RuBisCO). The CCM is postulated to simultaneously enhance the rate of carboxylation and minimize oxygenation, a competitive reaction with O2 also catalyzed by RuBisCO. To achieve this effect, the CCM combines two features: active transport of inorganic carbon into the cell and colocalization of carbonic anhydrase and RuBisCO inside proteinaceous microcompartments called carboxysomes. Understanding the significance of the various CCM components requires reconciling biochemical intuition with a quantitative description of the system. To this end, we have developed a mathematical model of the CCM to analyze its energetic costs and the inherent intertwining of physiology and pH. We find that intracellular pH greatly affects the cost of inorganic carbon accumulation. At low pH the inorganic carbon pool contains more of the highly cell-permeable H2CO3, necessitating a substantial expenditure of energy on transport to maintain internal inorganic carbon levels. An intracellular pH ≈8 reduces leakage, making the CCM significantly more energetically efficient. This pH prediction coincides well with our measurement of intracellular pH in a model cyanobacterium. We also demonstrate that CO2 retention in the carboxysome is necessary, whereas selective uptake of HCO3− into the carboxysome would not appreciably enhance energetic efficiency. Altogether, integration of pH produces a model that is quantitatively consistent with cyanobacterial physiology, emphasizing that pH cannot be neglected when describing biological systems interacting with inorganic carbon pools. PMID:27551079

Efficiency of fat deposition from non-starch polysaccharides, starch and unsaturated fat in pigs.

PubMed

Halas, Veronika; Babinszky, László; Dijkstra, Jan; Verstegen, Martin W A; Gerrits, Walter J J

2010-01-01

The aim was to evaluate under protein-limiting conditions the effect of different supplemental energy sources: fermentable NSP (fNSP), digestible starch (dStarch) and digestible unsaturated fat (dUFA), on marginal efficiency of fat deposition and distribution. A further aim was to determine whether the extra fat deposition from different energy sources, and its distribution in the body, depends on feeding level. A total of fifty-eight individually housed pigs (48 (SD 4) kg) were used in a 3 x 2 factorial design study, with three energy sources (0.2 MJ digestible energy (DE)/kg(0.75) per d of fNSP, dStarch and dUFA added to a control diet) at two feeding levels. Ten pigs were slaughtered at 48 (SD 4) kg body weight and treatment pigs at 106 (SD 3) kg body weight. Bodies were dissected and the chemical composition of each body fraction was determined. The effect of energy sources on fat and protein deposition was expressed relative to the control treatments within both energy intake levels based on a total of thirty-two observations in six treatments, and these marginal differences were subsequently treated as dependent variables. Results showed that preferential deposition of the supplemental energy intake in various fat depots did not depend on the energy source, and the extra fat deposition was similar at each feeding level. The marginal energetic transformation (energy retention; ER) of fNSP, dStarch and dUFA for fat retention (ERfat:DE) was 44, 52 and 49 % (P>0.05), respectively. Feeding level affected fat distribution, but source of energy did not change the relative partitioning of fat deposition. The present results do not support values of energetic efficiencies currently used in net energy-based systems.

Local energetic frustration affects the dependence of green fluorescent protein folding on the chaperonin GroEL.

PubMed

Bandyopadhyay, Boudhayan; Goldenzweig, Adi; Unger, Tamar; Adato, Orit; Fleishman, Sarel J; Unger, Ron; Horovitz, Amnon

2017-12-15

The GroE chaperonin system in Escherichia coli comprises GroEL and GroES and facilitates ATP-dependent protein folding in vivo and in vitro Proteins with very similar sequences and structures can differ in their dependence on GroEL for efficient folding. One potential but unverified source for GroEL dependence is frustration, wherein not all interactions in the native state are optimized energetically, thereby potentiating slow folding and misfolding. Here, we chose enhanced green fluorescent protein as a model system and subjected it to random mutagenesis, followed by screening for variants whose in vivo folding displays increased or decreased GroEL dependence. We confirmed the altered GroEL dependence of these variants with in vitro folding assays. Strikingly, mutations at positions predicted to be highly frustrated were found to correlate with decreased GroEL dependence. Conversely, mutations at positions with low frustration were found to correlate with increased GroEL dependence. Further support for this finding was obtained by showing that folding of an enhanced green fluorescent protein variant designed computationally to have reduced frustration is indeed less GroEL-dependent. Our results indicate that changes in local frustration also affect partitioning in vivo between spontaneous and chaperonin-mediated folding. Hence, the design of minimally frustrated sequences can reduce chaperonin dependence and improve protein expression levels. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

Laser-guided energetic discharges over large air gaps by electric-field enhanced plasma filaments

NASA Astrophysics Data System (ADS)

Théberge, Francis; Daigle, Jean-François; Kieffer, Jean-Claude; Vidal, François; Châteauneuf, Marc

2017-01-01

Recent works on plasma channels produced during the propagation of ultrashort and intense laser pulses in air demonstrated the guiding of electric discharges along the laser path. However, the short plasma lifetime limits the length of the laser-guided discharge. In this paper, the conductivity and lifetime of long plasma channels produced by ultrashort laser pulses is enhanced efficiently over many orders of magnitude by the electric field of a hybrid AC-DC high-voltage source. The AC electric pulse from a Tesla coil allowed to stimulate and maintain the highly conductive channel during few milliseconds in order to guide a subsequent 500 times more energetic discharge from a 30-kV DC source. This DC discharge was laser-guided over an air gap length of two metres, which is more than two orders of magnitude longer than the expected natural discharge length. Long plasma channel induced by laser pulses and stimulated by an external high-voltage source opens the way for wireless and efficient transportation of energetic current pulses over long air gaps and potentially for guiding lightning.

Laser-guided energetic discharges over large air gaps by electric-field enhanced plasma filaments

PubMed Central

Théberge, Francis; Daigle, Jean-François; Kieffer, Jean-Claude; Vidal, François; Châteauneuf , Marc

2017-01-01

Recent works on plasma channels produced during the propagation of ultrashort and intense laser pulses in air demonstrated the guiding of electric discharges along the laser path. However, the short plasma lifetime limits the length of the laser-guided discharge. In this paper, the conductivity and lifetime of long plasma channels produced by ultrashort laser pulses is enhanced efficiently over many orders of magnitude by the electric field of a hybrid AC-DC high-voltage source. The AC electric pulse from a Tesla coil allowed to stimulate and maintain the highly conductive channel during few milliseconds in order to guide a subsequent 500 times more energetic discharge from a 30-kV DC source. This DC discharge was laser-guided over an air gap length of two metres, which is more than two orders of magnitude longer than the expected natural discharge length. Long plasma channel induced by laser pulses and stimulated by an external high-voltage source opens the way for wireless and efficient transportation of energetic current pulses over long air gaps and potentially for guiding lightning. PMID:28053312

Whistlers in space plasma, their role for particle populations in the inner magnetosphere

NASA Astrophysics Data System (ADS)

Shklyar, David

Of many wave modes, which propagate in the plasmaspheric region of the magnetosphere, whistler waves play the most important role in the dynamics of energetic particles (chiefly elec-trons, but not excepting protons), as their resonant interactions are very efficient. There are three main sources of whistler mode waves in the magnetosphere, namely, lightning strokes, VLF transmitter signals, and far and away various kinds of kinetic instabilities leading to generation of whistler mode waves. Resonant interactions of energetic electrons with whistlers may lead to electron acceleration, scattering into loss-cone, and consequent precipitation into the iono-sphere and atmosphere. While electron resonant interaction with lightning-induced whistlers and VLF transmitter signals may, to a certain approximation, be considered as particle dy-namics in given electromagnetic fields, resonant wave-particle interaction in the case of plasma instability is intrinsically a self-consistent process. An important aspect of whistler-electron interactions (particularly in the case of plasma instability) is the possibility of energy exchange between different energetic electron populations. Thus, in many cases, whistler wave growth rate is determined by "competition" between the first cyclotron and Cerenkov resonances, one (depending on energetic electron distribution) leading to wave growth and the other one to wave damping. Since particles which give rise to wave growth loose their energy, while parti-cles which lead to wave damping gain energy at the expense of the wave, and since the first cyclotron and Cerenkov resonances correspond to different particle energies, wave generation as the result of plasma instability may lead, at the same time, to energy exchange between two populations of energetic particles. While the role of whistlers in dynamics of energetic electrons in the magnetosphere is gener-ally recognized, their role for protons seems to be underestimated. At the same time, quasi-electrostatic lower-hybrid resonance (LHR) waves (to which non-ducted whistler mode waves originating from lightning strokes naturally evolve while propagating in the magnetosphere) may efficiently interact with energetic protons at higher order cyclotron resonances. Thus, whistler mode waves may mediate energy transfer not only between different populations of energetic electrons, but also between various plasma species. Theoretical discussion of various aspects of resonant wave-particle interactions in the magne-tosphere, those mentioned above and others, will be the subject of the report.

Effect of field-aligned-beam in parallel diffusion of energetic particles in the Earth's foreshock

NASA Astrophysics Data System (ADS)

Matsukiyo, S.; Nakanishi, K.; Otsuka, F.; Kis, A.; Lemperger, I.; Hada, T.

2016-12-01

Diffusive shock acceleration (DSA) is one of the plausible acceleration mechanisms of cosmic rays. In the standard DSA model the partial density of the accelerated particles, diffused into upstream, exponentially decreases as the distance to the shock increases. Kis et al. (GRL, 31, L20801, 2004) examined the density gradients of energetic ions upstream of the bow shock with high accuracy by using Cluster data. They estimated the diffusion coefficients of energetic ions for the event in February 18, 2003 and showed that the obtained diffusion coefficients are significantly smaller than those estimated in the past statistical study. This implies that particle acceleration at the bow shock can be more efficient than considered before. Here, we focus on the effect of the field-aligned-beam (FAB) which is often observed in the foreshock, and examine how the FAB affects the efficiency of diffusion of the energetic ions by performing test particle simulations. The upstream turbulence is given by the superposition of parallel Alfven waves with power-law energy spectrum with random phase approximation. In the spectrum we further add a peak corresponding to the waves resonantly generated by the FAB. The dependence of the diffusion coefficient on the presence of the FAB as well as total energy of the turbulence, power-law index of the turbulence, and intensity of FAB oriented waves are discussed.

Biological-inorganic hybrid systems as a generalized platform for chemical production.

PubMed

Nangle, Shannon N; Sakimoto, Kelsey K; Silver, Pamela A; Nocera, Daniel G

2017-12-01

An expanding renewable energy market to supplant petrochemicals has motivated synthesis technologies that use renewable feedstocks, such as CO 2 . Hybrid biological-inorganic systems provide a sustainable, efficient, versatile, and inexpensive chemical synthesis platform. These systems comprise biocompatible electrodes that transduce electrical energy either directly or indirectly into bioavailable energy, such as H 2 and NAD(P)H. In combination, specific bacteria use these energetic reducing equivalents to fix CO 2 into multi-carbon organic compounds. As hybrid biological-inorganic technologies have developed, the focus has shifted from phenomenological and proof-of-concept discovery towards enhanced energy efficiency, production rate, product scope, and industrial robustness. In this review, we highlight the progress and the state-of-the-art of this field and describe the advantages and challenges involved in designing bio- and chemo- compatible systems. Copyright © 2017 Elsevier Ltd. All rights reserved.

Metal photonics and plasmonics for energy generation

NASA Astrophysics Data System (ADS)

Nagpal, Prashant

Energy generation from renewable sources and conservation of energy are important goals for reducing our carbon footprint on the environment. Important sources of renewable energy like sun and geothermal energy are difficult to harness because of their energetically broad radiation. Most of our current energy requirements are met through consumption of fossil fuels, and more than 60% of this energy is released to the environment as "waste heat". Thus, converting heat from sun, or inefficient furnaces and automobiles can provide an important source of energy generation. In the present work, I describe design, fabrication, and characterization two and three dimensional patterned metals. These nanofabricated structures can be used as selective emitters to tailor the glow of hot objects. The tailored radiation can then be converted efficiently into electricity using an infrared photocell. This thermophotovoltaic conversion can be very efficient, and useful for converting heat-to-electricity from a wide variety of sources.

Engineering charge transport by heterostructuring solution-processed semiconductors

NASA Astrophysics Data System (ADS)

Voznyy, Oleksandr; Sutherland, Brandon R.; Ip, Alexander H.; Zhitomirsky, David; Sargent, Edward H.

2017-06-01

Solution-processed semiconductor devices are increasingly exploiting heterostructuring — an approach in which two or more materials with different energy landscapes are integrated into a composite system. Heterostructured materials offer an additional degree of freedom to control charge transport and recombination for more efficient optoelectronic devices. By exploiting energetic asymmetry, rationally engineered heterostructured materials can overcome weaknesses, augment strengths and introduce emergent physical phenomena that are otherwise inaccessible to single-material systems. These systems see benefit and application in two distinct branches of charge-carrier manipulation. First, they influence the balance between excitons and free charges to enhance electron extraction in solar cells and photodetectors. Second, they promote radiative recombination by spatially confining electrons and holes, which increases the quantum efficiency of light-emitting diodes. In this Review, we discuss advances in the design and composition of heterostructured materials, consider their implementation in semiconductor devices and examine unexplored paths for future advancement in the field.

Locomotion and the Cost of Hunting in Large, Stealthy Marine Carnivores.

PubMed

Williams, Terrie M; Fuiman, Lee A; Davis, Randall W

2015-10-01

Foraging by large (>25 kg), mammalian carnivores often entails cryptic tactics to surreptitiously locate and overcome highly mobile prey. Many forms of intermittent locomotion from stroke-and-glide maneuvers by marine mammals to sneak-and-pounce behaviors by terrestrial canids, ursids, and felids are involved. While affording proximity to vigilant prey, these tactics are also associated with unique energetic costs and benefits to the predator. We examined the energetic consequences of intermittent locomotion in mammalian carnivores and assessed the role of these behaviors in overall foraging efficiency. Behaviorally-linked, three-axis accelerometers were calibrated to provide instantaneous locomotor behaviors and associated energetic costs for wild adult Weddell seals (Leptonychotes weddellii) diving beneath the Antarctic ice. The results were compared with previously published values for other marine and terrestrial carnivores. We found that intermittent locomotion in the form of extended glides, burst-and-glide swimming, and rollercoaster maneuvers while hunting silverfish (Pleuragramma antarcticum) resulted in a marked energetic savings for the diving seals relative to continuously stroking. The cost of a foraging dive by the seals decreased by 9.2-59.6%, depending on the proportion of time gliding. These energetic savings translated into exceptionally low transport costs during hunting (COTHUNT) for diving mammals. COTHUNT for Weddell seals was nearly six times lower than predicted for large terrestrial carnivores, and demonstrates the importance of turning off the propulsive machinery to facilitate cost-efficient foraging in highly active, air-breathing marine predators. © The Author 2015. Published by Oxford University Press on behalf of the Society for Integrative and Comparative Biology. All rights reserved. For permissions please email: journals.permissions@oup.com.

CCC7-119 Reactive Molecular Dynamics Simulations of Hot Spot Growth in Shocked Energetic Materials

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

Thompson, Aidan P.

2015-03-01

The purpose of this work is to understand how defects control initiation in energetic materials used in stockpile components; Sequoia gives us the core-count to run very large-scale simulations of up to 10 million atoms and; Using an OpenMP threaded implementation of the ReaxFF package in LAMMPS, we have been able to get good parallel efficiency running on 16k nodes of Sequoia, with 1 hardware thread per core.

Impact of multiple joint impairments on the energetics and mechanics of walking in patients with haemophilia.

PubMed

Lobet, S; Detrembleur, C; Hermans, C

2013-03-01

Few studies have assessed the changes produced by multiple joint impairments (MJI) of the lower limbs on gait in patients with haemophilia (PWH). In patients with MJI, quantifiable outcome measures are necessary if treatment benefits are to be compared. This study was aimed at observing the metabolic cost, mechanical work and efficiency of walking among PWH with MJI and to investigate the relationship between joint damage and any changes in mechanical and energetic variables. This study used three-dimensional gait analysis to investigate the kinematics, cost, mechanical work and efficiency of walking in 31 PWH with MJI, with the results being compared with speed-matched values from a database of healthy subjects. Regarding energetics, the mass-specific net cost of transport (C(net)) was significantly higher for PWH with MJI compared with control and directly related to a loss in dynamic joint range of motion. Surprisingly, however, there was no substantial increase in mechanical work, with PWH being able to adopt a walking strategy to improve energy recovery via the pendulum mechanism. This probable compensatory mechanism to economize energy likely counterbalances the supplementary work associated with an increased vertical excursion of centre of mass (CoM) and lower muscle efficiency of locomotion. Metabolic variables were probably the most representative variables of gait disability for these subjects with complex orthopaedic degenerative disorders. © 2012 Blackwell Publishing Ltd.

Energetic ion production in high current hollow cathodes

NASA Astrophysics Data System (ADS)

Foster, John; Kovach, Yao; Arthur, Neil; Viges, Eric; Davis, Chris

2015-09-01

High power Hall and gridded ion thrusters are being considered as a propulsion option supporting human operations (cargo or tug) to Mars. These engines utilize hollow cathodes for plasma production and beam neutralization. It has now been well documented that these cathodes produce energetic ions when operated at high current densities. Such ions are observed with peak energies approaching 100 eV. Because these ions can drive erosion of the cathode assembly, they represent a credible failure mode. An understanding of energetic ion production and approaches to mitigation is therefore desired. Presented here are data documenting the presence of energetic ions for both a barium oxide and a lanthanum hexaboride cathode as measured using a retarding potential analyzer. Also presented are energetic ion mitigation approaches, which are designed to eliminate the ion energy transfer mechanism. NASA SBIR Contract NNX15CP62P.

Anomalous diffusion of single metal atoms on a graphene oxide support

DOE PAGES

Furnival, Tom; Leary, Rowan K.; Tyo, Eric C.; ...

2017-04-21

Recent studies of single-atom catalysts open up the prospect of designing exceptionally active and environmentally efficient chemical processes. The stability and durability of such catalysts is governed by the strength with which the atoms are bound to their support and their diffusive behaviour. Here we use aberration-corrected STEM to image the diffusion of single copper adatoms on graphene oxide. As a result, we discover that individual atoms exhibit anomalous diffusion as a result of spatial and energetic disorder inherent in the support, and interpret the origins of this behaviour to develop a physical picture for the surface diffusion of singlemore » metal atoms.« less

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

Ellis, Ross J.; Brigham, Derek M.; Delmau, Laetitia

The subtle energetic differences underpinning adjacent lanthanide discrimination are explored with diglycolamide ligands. Our approach converges liquid–liquid extraction experiments with solution-phase X-ray absorption spectroscopy (XAS) and density functional theory (DFT) simulations, spanning the lanthanide series. The homoleptic [(DGA)3Ln]3+ complex was confirmed in the organic extractive solution by XAS, and this was modeled using DFT. An interplay between steric strain and coordination energies apparently gives rise to a nonlinear trend in discriminatory lanthanide ion complexation across the series. Our results highlight the importance of optimizing chelate molecular geometry to account for both coordination interactions and strain energies when designing new ligandsmore » for efficient adjacent lanthanide separation for rare-earth refining.« less

Impact of segregation energetics on oxygen conductivity at ionic grain boundaries

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

Aidhy, Dilpuneet S; Zhang, Yanwen; Weber, William J

2014-01-01

In pursuit of whether nanocrystallinity could lead to higher anion conductivity, research has revealed contradicting results exposing the limited understanding of point defect energetics at grain boundaries (GBs)/interfaces. By disentangling and addressing key GB energetics issues, i.e., segregation, migration and binding energies of oxygen vacancies in the presence and absence of dopants at the GBs, and the segregation energetics of dopants, we elucidate, using atomic simulations of doped ceria, that dopant segregation is the key factor leading to degradation of oxygen conductivity in nanocrystalline materials. A framework for designing enhanced conducting nanocrystalline materials is proposed where the focus of dopingmore » strategies shifts from bulk to segregation at GBs.« less

Method and apparatus for decoupled thermo-catalytic pollution control

DOEpatents

Tabatabaie-Raissi, Ali; Muradov, Nazim Z.; Martin, Eric

2006-07-11

A new method for design and scale-up of thermocatalytic processes is disclosed. The method is based on optimizing process energetics by decoupling of the process energetics from the DRE for target contaminants. The technique is applicable to high temperature thermocatalytic reactor design and scale-up. The method is based on the implementation of polymeric and other low-pressure drop support for thermocatalytic media as well as the multifunctional catalytic media in conjunction with a novel rotating fluidized particle bed reactor.

A Theory for Self-consistent Acceleration of Energetic Charged Particles by Dynamic Small-scale Flux Ropes

NASA Astrophysics Data System (ADS)

le Roux, J. A.; Zank, G. P.; Khabarova, O.; Webb, G. M.

2016-12-01

Simulations of charged particle acceleration in turbulent plasma regions with numerous small-scale contracting and merging (reconnecting) magnetic islands/flux ropes emphasize the key role of temporary particle trapping in these structures for efficient acceleration that can result in power-law spectra. In response, a comprehensive kinetic transport theory framework was developed by Zank et al. and le Roux et al. to capture the essential physics of energetic particle acceleration in solar wind regions containing numerous dynamic small-scale flux ropes. Examples of test particle solutions exhibiting hard power-law spectra for energetic particles were presented in recent publications by both Zank et al. and le Roux et al.. However, the considerable pressure in the accelerated particles suggests the need for expanding the kinetic transport theory to enable a self-consistent description of energy exchange between energetic particles and small-scale flux ropes. We plan to present the equations of an expanded kinetic transport theory framework that will enable such a self-consistent description.

The accurate particle tracer code

DOE PAGES

Wang, Yulei; Liu, Jian; Qin, Hong; ...

2017-07-20

The Accurate Particle Tracer (APT) code is designed for systematic large-scale applications of geometric algorithms for particle dynamical simulations. Based on a large variety of advanced geometric algorithms, APT possesses long-term numerical accuracy and stability, which are critical for solving multi-scale and nonlinear problems. To provide a flexible and convenient I/O interface, the libraries of Lua and Hdf5 are used. Following a three-step procedure, users can efficiently extend the libraries of electromagnetic configurations, external non-electromagnetic forces, particle pushers, and initialization approaches by use of the extendible module. APT has been used in simulations of key physical problems, such as runawaymore » electrons in tokamaks and energetic particles in Van Allen belt. As an important realization, the APT-SW version has been successfully distributed on the world’s fastest computer, the Sunway TaihuLight supercomputer, by supporting master–slave architecture of Sunway many-core processors. Here, based on large-scale simulations of a runaway beam under parameters of the ITER tokamak, it is revealed that the magnetic ripple field can disperse the pitch-angle distribution significantly and improve the confinement of energetic runaway beam on the same time.« less

Design and performance studies of a hadronic calorimeter for a FCC-hh experiment

NASA Astrophysics Data System (ADS)

Faltova, J.

2018-03-01

The hadron-hadron Future Circular Collider (FCC-hh) project studies the physics reach of a proton-proton machine with a centre-of-mass-energy of 100 TeV and five times greater peak luminosities than at the High-Luminosity LHC (HL-LHC). The high-energy regime of the FCC-hh opens new opportunities for the discovery of physics beyond the standard model. At 100 TeV a large fraction of the W, Z, H bosons and top quarks are produced with a significant boost. It implies an efficient reconstruction of very high energetic objects decaying hadronically. The reconstruction of those boosted objects sets the calorimeter performance requirements in terms of energy resolution, containment of highly energetic hadron showers, and high transverse granularity. We present the current baseline technologies for the calorimeter system in the barrel region of the FCC-hh reference detector: a liquid argon electromagnetic and a scintillator-steel hadronic calorimeters. The focus of this paper is on the hadronic calorimeter and the performance studies for hadrons. The reconstruction of single particles and the achieved energy resolution for the combined system of the electromagnetic and hadronic calorimeters are discussed.

The accurate particle tracer code

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

Wang, Yulei; Liu, Jian; Qin, Hong

The Accurate Particle Tracer (APT) code is designed for systematic large-scale applications of geometric algorithms for particle dynamical simulations. Based on a large variety of advanced geometric algorithms, APT possesses long-term numerical accuracy and stability, which are critical for solving multi-scale and nonlinear problems. To provide a flexible and convenient I/O interface, the libraries of Lua and Hdf5 are used. Following a three-step procedure, users can efficiently extend the libraries of electromagnetic configurations, external non-electromagnetic forces, particle pushers, and initialization approaches by use of the extendible module. APT has been used in simulations of key physical problems, such as runawaymore » electrons in tokamaks and energetic particles in Van Allen belt. As an important realization, the APT-SW version has been successfully distributed on the world’s fastest computer, the Sunway TaihuLight supercomputer, by supporting master–slave architecture of Sunway many-core processors. Here, based on large-scale simulations of a runaway beam under parameters of the ITER tokamak, it is revealed that the magnetic ripple field can disperse the pitch-angle distribution significantly and improve the confinement of energetic runaway beam on the same time.« less

Space suit bioenergetics: framework and analysis of unsuited and suited activity.

PubMed

Carr, Christopher E; Newman, Dava J

2007-11-01

Metabolic costs limit the duration and intensity of extravehicular activity (EVA), an essential component of future human missions to the Moon and Mars. Energetics Framework: We present a framework for comparison of energetics data across and between studies. This framework, applied to locomotion, differentiates between muscle efficiency and energy recovery, two concepts often confused in the literature. The human run-walk transition in Earth gravity occurs at the point for which energy recovery is approximately the same for walking and running, suggesting a possible role for recovery in gait transitions. Muscular Energetics: Muscle physiology limits the overall efficiency by which chemical energy is converted through metabolism to useful work. Unsuited Locomotion: Walking and running use different methods of energy storage and release. These differences contribute to the relative changes in the metabolic cost of walking and running as gravity is varied, with the metabolic cost of locomoting at a given velocity changing in proportion to gravity for running and less than in proportion for walking. Space Suits: Major factors affecting the energetic cost of suited movement include suit pressurization, gravity, velocity, surface slope, and space suit configuration. Apollo lunar surface EVA traverse metabolic rates, while unexpectedly low, were higher than other activity categories. The Lunar Roving Vehicle facilitated even lower metabolic rates, thus longer duration EVAs. Muscles and tendons act like springs during running; similarly, longitudinal pressure forces in gas pressure space suits allow spring-like storage and release of energy when suits are self-supporting.

Energetic tradeoffs control the size distribution of aquatic mammals

NASA Astrophysics Data System (ADS)

Gearty, William; McClain, Craig R.; Payne, Jonathan L.

2018-04-01

Four extant lineages of mammals have invaded and diversified in the water: Sirenia, Cetacea, Pinnipedia, and Lutrinae. Most of these aquatic clades are larger bodied, on average, than their closest land-dwelling relatives, but the extent to which potential ecological, biomechanical, and physiological controls contributed to this pattern remains untested quantitatively. Here, we use previously published data on the body masses of 3,859 living and 2,999 fossil mammal species to examine the evolutionary trajectories of body size in aquatic mammals through both comparative phylogenetic analysis and examination of the fossil record. Both methods indicate that the evolution of an aquatic lifestyle is driving three of the four extant aquatic mammal clades toward a size attractor at ˜500 kg. The existence of this body size attractor and the relatively rapid selection toward, and limited deviation from, this attractor rule out most hypothesized drivers of size increase. These three independent body size increases and a shared aquatic optimum size are consistent with control by differences in the scaling of energetic intake and cost functions with body size between the terrestrial and aquatic realms. Under this energetic model, thermoregulatory costs constrain minimum size, whereas limitations on feeding efficiency constrain maximum size. The optimum size occurs at an intermediate value where thermoregulatory costs are low but feeding efficiency remains high. Rather than being released from size pressures, water-dwelling mammals are driven and confined to larger body sizes by the strict energetic demands of the aquatic medium.

The energetics of central nervous system white matter

PubMed Central

Harris, Julia J.; Attwell, David

2012-01-01

The energetics of CNS white matter are poorly understood. We derive a signalling energy budget for rodent white matter (based on data from the optic nerve and corpus callosum) which can be compared to previous energy budgets for the grey matter regions of the brain, perform a cost-benefit analysis of the energetics of myelination, and assess mechanisms for energy production and glucose supply in myelinated axons. We show that white matter synapses consume ≤0.5% of the energy of grey matter synapses and that this, rather than more energy-efficient action potentials, is the main reason why CNS white matter uses less energy than grey matter. Surprisingly, while the energetic cost of building myelin could be repaid within months by the reduced ATP cost of neuronal action potentials, the energetic cost of maintaining the oligodendrocyte resting potential usually outweighs the saving on action potentials. Thus, although it dramatically speeds action potential propagation, myelination need not save energy. Finally, we show that mitochondria in optic nerve axons could sustain measured firing rates with a plausible density of glucose transporters in the nodal membrane, without the need for energy transfer from oligodendrocytes. PMID:22219296

Efficient generation of energetic ions in multi-ion plasmas by radio-frequency heating

NASA Astrophysics Data System (ADS)

Kazakov, Ye. O.; Ongena, J.; Wright, J. C.; Wukitch, S. J.; Lerche, E.; Mantsinen, M. J.; van Eester, D.; Craciunescu, T.; Kiptily, V. G.; Lin, Y.; Nocente, M.; Nabais, F.; Nave, M. F. F.; Baranov, Y.; Bielecki, J.; Bilato, R.; Bobkov, V.; Crombé, K.; Czarnecka, A.; Faustin, J. M.; Felton, R.; Fitzgerald, M.; Gallart, D.; Giacomelli, L.; Golfinopoulos, T.; Hubbard, A. E.; Jacquet, Ph.; Johnson, T.; Lennholm, M.; Loarer, T.; Porkolab, M.; Sharapov, S. E.; Valcarcel, D.; van Schoor, M.; Weisen, H.; Marmar, E. S.; Baek, S. G.; Barnard, H.; Bonoli, P.; Brunner, D.; Candy, J.; Canik, J.; Churchill, R. M.; Cziegler, I.; Dekow, G.; Delgado-Aparicio, L.; Diallo, A.; Edlund, E.; Ennever, P.; Faust, I.; Fiore, C.; Gao, Chi; Golfinopoulos, T.; Greenwald, M.; Hartwig, Z. S.; Holland, C.; Hubbard, A. E.; Hughes, J. W.; Hutchinson, I. H.; Irby, J.; Labombard, B.; Lin, Yijun; Lipschultz, B.; Loarte, A.; Mumgaard, R.; Parker, R. R.; Porkolab, M.; Reinke, M. L.; Rice, J. E.; Scott, S.; Shiraiwa, S.; Snyder, P.; Sorbom, B.; Terry, D.; Terry, J. L.; Theiler, C.; Vieira, R.; Walk, J. R.; Wallace, G. M.; White, A.; Whyte, D.; Wolfe, S. M.; Wright, G. M.; Wright, J.; Wukitch, S. J.; Xu, P.; Abduallev, S.; Abhangi, M.; Abreu, P.; Afzal, M.; Aggarwal, K. M.; Ahlgren, T.; Ahn, J. H.; Aho-Mantila, L.; Aiba, N.; Airila, M.; Albanese, R.; Aldred, V.; Alegre, D.; Alessi, E.; Aleynikov, P.; Alfier, A.; Alkseev, A.; Allinson, M.; Alper, B.; Alves, E.; Ambrosino, G.; Ambrosino, R.; Amicucci, L.; Amosov, V.; Sundén, E. Andersson; Angelone, M.; Anghel, M.; Angioni, C.; Appel, L.; Appelbee, C.; Arena, P.; Ariola, M.; Arnichand, H.; Arshad, S.; Ash, A.; Ashikawa, N.; Aslanyan, V.; Asunta, O.; Auriemma, F.; Austin, Y.; Avotina, L.; Axton, M. D.; Ayres, C.; Bacharis, M.; Baciero, A.; Baião, D.; Bailey, S.; Baker, A.; Balboa, I.; Balden, M.; Balshaw, N.; Bament, R.; Banks, J. W.; Baranov, Y. F.; Barnard, M. A.; Barnes, D.; Barnes, M.; Barnsley, R.; Wiechec, A. Baron; Orte, L. Barrera; Baruzzo, M.; Basiuk, V.; Bassan, M.; Bastow, R.; Batista, A.; Batistoni, P.; Baughan, R.; Bauvir, B.; Baylor, L.; Bazylev, B.; Beal, J.; Beaumont, P. S.; Beckers, M.; Beckett, B.; Becoulet, A.; Bekris, N.; Beldishevski, M.; Bell, K.; Belli, F.; Bellinger, M.; Belonohy, É.; Ayed, N. Ben; Benterman, N. A.; Bergsåker, H.; Bernardo, J.; Bernert, M.; Berry, M.; Bertalot, L.; Besliu, C.; Beurskens, M.; Bieg, B.; Bielecki, J.; Biewer, T.; Bigi, M.; Bílková, P.; Binda, F.; Bisoffi, A.; Bizarro, J. P. S.; Björkas, C.; Blackburn, J.; Blackman, K.; Blackman, T. R.; Blanchard, P.; Blatchford, P.; Bobkov, V.; Boboc, A.; Bodnár, G.; Bogar, O.; Bolshakova, I.; Bolzonella, T.; Bonanomi, N.; Bonelli, F.; Boom, J.; Booth, J.; Borba, D.; Borodin, D.; Borodkina, I.; Botrugno, A.; Bottereau, C.; Boulting, P.; Bourdelle, C.; Bowden, M.; Bower, C.; Bowman, C.; Boyce, T.; Boyd, C.; Boyer, H. J.; Bradshaw, J. M. A.; Braic, V.; Bravanec, R.; Breizman, B.; Bremond, S.; Brennan, P. D.; Breton, S.; Brett, A.; Brezinsek, S.; Bright, M. D. J.; Brix, M.; Broeckx, W.; Brombin, M.; Brosławski, A.; Brown, D. P. D.; Brown, M.; Bruno, E.; Bucalossi, J.; Buch, J.; Buchanan, J.; Buckley, M. A.; Budny, R.; Bufferand, H.; Bulman, M.; Bulmer, N.; Bunting, P.; Buratti, P.; Burckhart, A.; Buscarino, A.; Busse, A.; Butler, N. K.; Bykov, I.; Byrne, J.; Cahyna, P.; Calabrò, G.; Calvo, I.; Camenen, Y.; Camp, P.; Campling, D. C.; Cane, J.; Cannas, B.; Capel, A. J.; Card, P. J.; Cardinali, A.; Carman, P.; Carr, M.; Carralero, D.; Carraro, L.; Carvalho, B. B.; Carvalho, I.; Carvalho, P.; Casson, F. J.; Castaldo, C.; Catarino, N.; Caumont, J.; Causa, F.; Cavazzana, R.; Cave-Ayland, K.; Cavinato, M.; Cecconello, M.; Ceccuzzi, S.; Cecil, E.; Cenedese, A.; Cesario, R.; Challis, C. D.; Chandler, M.; Chandra, D.; Chang, C. S.; Chankin, A.; Chapman, I. T.; Chapman, S. C.; Chernyshova, M.; Chitarin, G.; Ciraolo, G.; Ciric, D.; Citrin, J.; Clairet, F.; Clark, E.; Clark, M.; Clarkson, R.; Clatworthy, D.; Clements, C.; Cleverly, M.; Coad, J. P.; Coates, P. A.; Cobalt, A.; Coccorese, V.; Cocilovo, V.; Coda, S.; Coelho, R.; Coenen, J. W.; Coffey, I.; Colas, L.; Collins, S.; Conka, D.; Conroy, S.; Conway, N.; Coombs, D.; Cooper, D.; Cooper, S. R.; Corradino, C.; Corre, Y.; Corrigan, G.; Cortes, S.; Coster, D.; Couchman, A. S.; Cox, M. P.; Craciunescu, T.; Cramp, S.; Craven, R.; Crisanti, F.; Croci, G.; Croft, D.; Crombé, K.; Crowe, R.; Cruz, N.; Cseh, G.; Cufar, A.; Cullen, A.; Curuia, M.; Czarnecka, A.; Dabirikhah, H.; Dalgliesh, P.; Dalley, S.; Dankowski, J.; Darrow, D.; Davies, O.; Davis, W.; Day, C.; Day, I. E.; de Bock, M.; de Castro, A.; de La Cal, E.; de La Luna, E.; Masi, G. De; de Pablos, J. L.; de Temmerman, G.; de Tommasi, G.; de Vries, P.; Deakin, K.; Deane, J.; Agostini, F. Degli; Dejarnac, R.; Delabie, E.; den Harder, N.; Dendy, R. O.; Denis, J.; Denner, P.; Devaux, S.; Devynck, P.; Maio, F. Di; Siena, A. Di; Troia, C. Di; Dinca, P.; D'Inca, R.; Ding, B.; Dittmar, T.; Doerk, H.; Doerner, R. P.; Donné, T.; Dorling, S. E.; Dormido-Canto, S.; Doswon, S.; Douai, D.; Doyle, P. T.; Drenik, A.; Drewelow, P.; Drews, P.; Duckworth, Ph.; Dumont, R.; Dumortier, P.; Dunai, D.; Dunne, M.; Ďuran, I.; Durodié, F.; Dutta, P.; Duval, B. P.; Dux, R.; Dylst, K.; Dzysiuk, N.; Edappala, P. V.; Edmond, J.; Edwards, A. M.; Edwards, J.; Eich, Th.; Ekedahl, A.; El-Jorf, R.; Elsmore, C. G.; Enachescu, M.; Ericsson, G.; Eriksson, F.; Eriksson, J.; Eriksson, L. G.; Esposito, B.; Esquembri, S.; Esser, H. G.; Esteve, D.; Evans, B.; Evans, G. E.; Evison, G.; Ewart, G. D.; Fagan, D.; Faitsch, M.; Falie, D.; Fanni, A.; Fasoli, A.; Faustin, J. M.; Fawlk, N.; Fazendeiro, L.; Fedorczak, N.; Felton, R. C.; Fenton, K.; Fernades, A.; Fernandes, H.; Ferreira, J.; Fessey, J. A.; Février, O.; Ficker, O.; Field, A.; Fietz, S.; Figueiredo, A.; Figueiredo, J.; Fil, A.; Finburg, P.; Firdaouss, M.; Fischer, U.; Fittill, L.; Fitzgerald, M.; Flammini, D.; Flanagan, J.; Fleming, C.; Flinders, K.; Fonnesu, N.; Fontdecaba, J. M.; Formisano, A.; Forsythe, L.; Fortuna, L.; Fortuna-Zalesna, E.; Fortune, M.; Foster, S.; Franke, T.; Franklin, T.; Frasca, M.; Frassinetti, L.; Freisinger, M.; Fresa, R.; Frigione, D.; Fuchs, V.; Fuller, D.; Futatani, S.; Fyvie, J.; Gál, K.; Galassi, D.; Gałązka, K.; Galdon-Quiroga, J.; Gallagher, J.; Gallart, D.; Galvão, R.; Gao, X.; Gao, Y.; Garcia, J.; Garcia-Carrasco, A.; García-Muñoz, M.; Gardarein, J.-L.; Garzotti, L.; Gaudio, P.; Gauthier, E.; Gear, D. F.; Gee, S. J.; Geiger, B.; Gelfusa, M.; Gerasimov, S.; Gervasini, G.; Gethins, M.; Ghani, Z.; Ghate, M.; Gherendi, M.; Giacalone, J. C.; Giacomelli, L.; Gibson, C. S.; Giegerich, T.; Gil, C.; Gil, L.; Gilligan, S.; Gin, D.; Giovannozzi, E.; Girardo, J. B.; Giroud, C.; Giruzzi, G.; Glöggler, S.; Godwin, J.; Goff, J.; Gohil, P.; Goloborod'Ko, V.; Gomes, R.; Gonçalves, B.; Goniche, M.; Goodliffe, M.; Goodyear, A.; Gorini, G.; Gosk, M.; Goulding, R.; Goussarov, A.; Gowland, R.; Graham, B.; Graham, M. E.; Graves, J. P.; Grazier, N.; Grazier, P.; Green, N. R.; Greuner, H.; Grierson, B.; Griph, F. S.; Grisolia, C.; Grist, D.; Groth, M.; Grove, R.; Grundy, C. N.; Grzonka, J.; Guard, D.; Guérard, C.; Guillemaut, C.; Guirlet, R.; Gurl, C.; Utoh, H. H.; Hackett, L. J.; Hacquin, S.; Hagar, A.; Hager, R.; Hakola, A.; Halitovs, M.; Hall, S. J.; Cook, S. P. Hallworth; Hamlyn-Harris, C.; Hammond, K.; Harrington, C.; Harrison, J.; Harting, D.; Hasenbeck, F.; Hatano, Y.; Hatch, D. R.; Haupt, T. D. V.; Hawes, J.; Hawkes, N. C.; Hawkins, J.; Hawkins, P.; Haydon, P. W.; Hayter, N.; Hazel, S.; Heesterman, P. J. L.; Heinola, K.; Hellesen, C.; Hellsten, T.; Helou, W.; Hemming, O. N.; Hender, T. C.; Henderson, M.; Henderson, S. S.; Henriques, R.; Hepple, D.; Hermon, G.; Hertout, P.; Hidalgo, C.; Highcock, E. G.; Hill, M.; Hillairet, J.; Hillesheim, J.; Hillis, D.; Hizanidis, K.; Hjalmarsson, A.; Hobirk, J.; Hodille, E.; Hogben, C. H. A.; Hogeweij, G. M. D.; Hollingsworth, A.; Hollis, S.; Homfray, D. A.; Horáček, J.; Hornung, G.; Horton, A. R.; Horton, L. D.; Horvath, L.; Hotchin, S. P.; Hough, M. R.; Howarth, P. J.; Hubbard, A.; Huber, A.; Huber, V.; Huddleston, T. M.; Hughes, M.; Huijsmans, G. T. A.; Hunter, C. L.; Huynh, P.; Hynes, A. M.; Iglesias, D.; Imazawa, N.; Imbeaux, F.; Imríšek, M.; Incelli, M.; Innocente, P.; Irishkin, M.; Ivanova-Stanik, I.; Jachmich, S.; Jacobsen, A. S.; Jacquet, P.; Jansons, J.; Jardin, A.; Järvinen, A.; Jaulmes, F.; Jednoróg, S.; Jenkins, I.; Jeong, C.; Jepu, I.; Joffrin, E.; Johnson, R.; Johnson, T.; Johnston, Jane; Joita, L.; Jones, G.; Jones, T. T. C.; Hoshino, K. K.; Kallenbach, A.; Kamiya, K.; Kaniewski, J.; Kantor, A.; Kappatou, A.; Karhunen, J.; Karkinsky, D.; Karnowska, I.; Kaufman, M.; Kaveney, G.; Kazakov, Y.; Kazantzidis, V.; Keeling, D. L.; Keenan, T.; Keep, J.; Kempenaars, M.; Kennedy, C.; Kenny, D.; Kent, J.; Kent, O. N.; Khilkevich, E.; Kim, H. T.; Kim, H. S.; Kinch, A.; King, C.; King, D.; King, R. F.; Kinna, D. J.; Kiptily, V.; Kirk, A.; Kirov, K.; Kirschner, A.; Kizane, G.; Klepper, C.; Klix, A.; Knight, P.; Knipe, S. J.; Knott, S.; Kobuchi, T.; Köchl, F.; Kocsis, G.; Kodeli, I.; Kogan, L.; Kogut, D.; Koivuranta, S.; Kominis, Y.; Köppen, M.; Kos, B.; Koskela, T.; Koslowski, H. R.; Koubiti, M.; Kovari, M.; Kowalska-Strzęciwilk, E.; Krasilnikov, A.; Krasilnikov, V.; Krawczyk, N.; Kresina, M.; Krieger, K.; Krivska, A.; Kruezi, U.; Książek, I.; Kukushkin, A.; Kundu, A.; Kurki-Suonio, T.; Kwak, S.; Kwiatkowski, R.; Kwon, O. J.; Laguardia, L.; Lahtinen, A.; Laing, A.; Lam, N.; Lambertz, H. T.; Lane, C.; Lang, P. T.; Lanthaler, S.; Lapins, J.; Lasa, A.; Last, J. R.; Łaszyńska, E.; Lawless, R.; Lawson, A.; Lawson, K. D.; Lazaros, A.; Lazzaro, E.; Leddy, J.; Lee, S.; Lefebvre, X.; Leggate, H. J.; Lehmann, J.; Lehnen, M.; Leichtle, D.; Leichuer, P.; Leipold, F.; Lengar, I.; Lennholm, M.; Lerche, E.; Lescinskis, A.; Lesnoj, S.; Letellier, E.; Leyland, M.; Leysen, W.; Li, L.; Liang, Y.; Likonen, J.; Linke, J.; Linsmeier, Ch.; Lipschultz, B.; Litaudon, X.; Liu, G.; Liu, Y.; Lo Schiavo, V. P.; Loarer, T.; Loarte, A.; Lobel, R. C.; Lomanowski, B.; Lomas, P. J.; Lönnroth, J.; López, J. M.; López-Razola, J.; Lorenzini, R.; Losada, U.; Lovell, J. J.; Loving, A. B.; Lowry, C.; Luce, T.; Lucock, R. M. A.; Lukin, A.; Luna, C.; Lungaroni, M.; Lungu, C. P.; Lungu, M.; Lunniss, A.; Lupelli, I.; Lyssoivan, A.; MacDonald, N.; Macheta, P.; Maczewa, K.; Magesh, B.; Maget, P.; Maggi, C.; Maier, H.; Mailloux, J.; Makkonen, T.; Makwana, R.; Malaquias, A.; Malizia, A.; Manas, P.; Manning, A.; Manso, M. E.; Mantica, P.; Mantsinen, M.; Manzanares, A.; Maquet, Ph.; Marandet, Y.; Marcenko, N.; Marchetto, C.; Marchuk, O.; Marinelli, M.; Marinucci, M.; Markovič, T.; Marocco, D.; Marot, L.; Marren, C. A.; Marshal, R.; Martin, A.; Martin, Y.; Martín de Aguilera, A.; Martínez, F. J.; Martín-Solís, J. R.; Martynova, Y.; Maruyama, S.; Masiello, A.; Maslov, M.; Matejcik, S.; Mattei, M.; Matthews, G. F.; Maviglia, F.; Mayer, M.; Mayoral, M. L.; May-Smith, T.; Mazon, D.; Mazzotta, C.; McAdams, R.; McCarthy, P. J.; McClements, K. G.; McCormack, O.; McCullen, P. A.; McDonald, D.; McIntosh, S.; McKean, R.; McKehon, J.; Meadows, R. C.; Meakins, A.; Medina, F.; Medland, M.; Medley, S.; Meigh, S.; Meigs, A. G.; Meisl, G.; Meitner, S.; Meneses, L.; Menmuir, S.; Mergia, K.; Merrigan, I. R.; Mertens, Ph.; Meshchaninov, S.; Messiaen, A.; Meyer, H.; Mianowski, S.; Michling, R.; Middleton-Gear, D.; Miettunen, J.; Militello, F.; Militello-Asp, E.; Miloshevsky, G.; Mink, F.; Minucci, S.; Miyoshi, Y.; Mlynář, J.; Molina, D.; Monakhov, I.; Moneti, M.; Mooney, R.; Moradi, S.; Mordijck, S.; Moreira, L.; Moreno, R.; Moro, F.; Morris, A. W.; Morris, J.; Moser, L.; Mosher, S.; Moulton, D.; Murari, A.; Muraro, A.; Murphy, S.; Asakura, N. N.; Na, Y. S.; Nabais, F.; Naish, R.; Nakano, T.; Nardon, E.; Naulin, V.; Nave, M. F. F.; Nedzelski, I.; Nemtsev, G.; Nespoli, F.; Neto, A.; Neu, R.; Neverov, V. S.; Newman, M.; Nicholls, K. J.; Nicolas, T.; Nielsen, A. H.; Nielsen, P.; Nilsson, E.; Nishijima, D.; Noble, C.; Nocente, M.; Nodwell, D.; Nordlund, K.; Nordman, H.; Nouailletas, R.; Nunes, I.; Oberkofler, M.; Odupitan, T.; Ogawa, M. T.; O'Gorman, T.; Okabayashi, M.; Olney, R.; Omolayo, O.; O'Mullane, M.; Ongena, J.; Orsitto, F.; Orszagh, J.; Oswuigwe, B. I.; Otin, R.; Owen, A.; Paccagnella, R.; Pace, N.; Pacella, D.; Packer, L. W.; Page, A.; Pajuste, E.; Palazzo, S.; Pamela, S.; Panja, S.; Papp, P.; Paprok, R.; Parail, V.; Park, M.; Diaz, F. Parra; Parsons, M.; Pasqualotto, R.; Patel, A.; Pathak, S.; Paton, D.; Patten, H.; Pau, A.; Pawelec, E.; Soldan, C. Paz; Peackoc, A.; Pearson, I. J.; Pehkonen, S.-P.; Peluso, E.; Penot, C.; Pereira, A.; Pereira, R.; Puglia, P. P. Pereira; von Thun, C. Perez; Peruzzo, S.; Peschanyi, S.; Peterka, M.; Petersson, P.; Petravich, G.; Petre, A.; Petrella, N.; Petržilka, V.; Peysson, Y.; Pfefferlé, D.; Philipps, V.; Pillon, M.; Pintsuk, G.; Piovesan, P.; Dos Reis, A. Pires; Piron, L.; Pironti, A.; Pisano; Pitts, R.; Pizzo, F.; Plyusnin, V.; Pomaro, N.; Pompilian, O. G.; Pool, P. J.; Popovichev, S.; Porfiri, M. T.; Porosnicu, C.; Porton, M.; Possnert, G.; Potzel, S.; Powell, T.; Pozzi, J.; Prajapati, V.; Prakash, R.; Prestopino, G.; Price, D.; Price, M.; Price, R.; Prior, P.; Proudfoot, R.; Pucella, G.; Puglia, P.; Puiatti, M. E.; Pulley, D.; Purahoo, K.; Pütterich, Th.; Rachlew, E.; Rack, M.; Ragona, R.; Rainford, M. S. J.; Rakha, A.; Ramogida, G.; Ranjan, S.; Rapson, C. J.; Rasmussen, J. J.; Rathod, K.; Rattá, G.; Ratynskaia, S.; Ravera, G.; Rayner, C.; Rebai, M.; Reece, D.; Reed, A.; Réfy, D.; Regan, B.; Regaña, J.; Reich, M.; Reid, N.; Reimold, F.; Reinhart, M.; Reinke, M.; Reiser, D.; Rendell, D.; Reux, C.; Cortes, S. D. A. Reyes; Reynolds, S.; Riccardo, V.; Richardson, N.; Riddle, K.; Rigamonti, D.; Rimini, F. G.; Risner, J.; Riva, M.; Roach, C.; Robins, R. J.; Robinson, S. A.; Robinson, T.; Robson, D. W.; Roccella, R.; Rodionov, R.; Rodrigues, P.; Rodriguez, J.; Rohde, V.; Romanelli, F.; Romanelli, M.; Romanelli, S.; Romazanov, J.; Rowe, S.; Rubel, M.; Rubinacci, G.; Rubino, G.; Ruchko, L.; Ruiz, M.; Ruset, C.; Rzadkiewicz, J.; Saarelma, S.; Sabot, R.; Safi, E.; Sagar, P.; Saibene, G.; Saint-Laurent, F.; Salewski, M.; Salmi, A.; Salmon, R.; Salzedas, F.; Samaddar, D.; Samm, U.; Sandiford, D.; Santa, P.; Santala, M. I. K.; Santos, B.; Santucci, A.; Sartori, F.; Sartori, R.; Sauter, O.; Scannell, R.; Schlummer, T.; Schmid, K.; Schmidt, V.; Schmuck, S.; Schneider, M.; Schöpf, K.; Schwörer, D.; Scott, S. D.; Sergienko, G.; Sertoli, M.; Shabbir, A.; Sharapov, S. E.; Shaw, A.; Shaw, R.; Sheikh, H.; Shepherd, A.; Shevelev, A.; Shumack, A.; Sias, G.; Sibbald, M.; Sieglin, B.; Silburn, S.; Silva, A.; Silva, C.; Simmons, P. A.; Simpson, J.; Simpson-Hutchinson, J.; Sinha, A.; Sipilä, S. K.; Sips, A. C. C.; Sirén, P.; Sirinelli, A.; Sjöstrand, H.; Skiba, M.; Skilton, R.; Slabkowska, K.; Slade, B.; Smith, N.; Smith, P. G.; Smith, R.; Smith, T. J.; Smithies, M.; Snoj, L.; Soare, S.; Solano, E. R.; Somers, A.; Sommariva, C.; Sonato, P.; Sopplesa, A.; Sousa, J.; Sozzi, C.; Spagnolo, S.; Spelzini, T.; Spineanu, F.; Stables, G.; Stamatelatos, I.; Stamp, M. F.; Staniec, P.; Stankūnas, G.; Stan-Sion, C.; Stead, M. J.; Stefanikova, E.; Stepanov, I.; Stephen, A. V.; Stephen, M.; Stevens, A.; Stevens, B. D.; Strachan, J.; Strand, P.; Strauss, H. R.; Ström, P.; Stubbs, G.; Studholme, W.; Subba, F.; Summers, H. P.; Svensson, J.; Świderski, Ł.; Szabolics, T.; Szawlowski, M.; Szepesi, G.; Suzuki, T. T.; Tál, B.; Tala, T.; Talbot, A. R.; Talebzadeh, S.; Taliercio, C.; Tamain, P.; Tame, C.; Tang, W.; Tardocchi, M.; Taroni, L.; Taylor, D.; Taylor, K. A.; Tegnered, D.; Telesca, G.; Teplova, N.; Terranova, D.; Testa, D.; Tholerus, E.; Thomas, J.; Thomas, J. D.; Thomas, P.; Thompson, A.; Thompson, C.-A.; Thompson, V. K.; Thorne, L.; Thornton, A.; Thrysøe, A. S.; Tigwell, P. A.; Tipton, N.; Tiseanu, I.; Tojo, H.; Tokitani, M.; Tolias, P.; Tomeš, M.; Tonner, P.; Towndrow, M.; Trimble, P.; Tripsky, M.; Tsalas, M.; Tsavalas, P.; Jun, D. Tskhakaya; Turner, I.; Turner, M. M.; Turnyanskiy, M.; Tvalashvili, G.; Tyrrell, S. G. J.; Uccello, A.; Ul-Abidin, Z.; Uljanovs, J.; Ulyatt, D.; Urano, H.; Uytdenhouwen, I.; Vadgama, A. P.; Valcarcel, D.; Valentinuzzi, M.; Valisa, M.; Olivares, P. Vallejos; Valovic, M.; van de Mortel, M.; van Eester, D.; van Renterghem, W.; van Rooij, G. J.; Varje, J.; Varoutis, S.; Vartanian, S.; Vasava, K.; Vasilopoulou, T.; Vega, J.; Verdoolaege, G.; Verhoeven, R.; Verona, C.; Rinati, G. Verona; Veshchev, E.; Vianello, N.; Vicente, J.; Viezzer, E.; Villari, S.; Villone, F.; Vincenzi, P.; Vinyar, I.; Viola, B.; Vitins, A.; Vizvary, Z.; Vlad, M.; Voitsekhovitch, I.; Vondráček, P.; Vora, N.; Vu, T.; de Sa, W. W. Pires; Wakeling, B.; Waldon, C. W. F.; Walkden, N.; Walker, M.; Walker, R.; Walsh, M.; Wang, E.; Wang, N.; Warder, S.; Warren, R. J.; Waterhouse, J.; Watkins, N. W.; Watts, C.; Wauters, T.; Weckmann, A.; Weiland, J.; Weisen, H.; Weiszflog, M.; Wellstood, C.; West, A. T.; Wheatley, M. R.; Whetham, S.; Whitehead, A. M.; Whitehead, B. D.; Widdowson, A. M.; Wiesen, S.; Wilkinson, J.; Williams, J.; Williams, M.; Wilson, A. R.; Wilson, D. J.; Wilson, H. R.; Wilson, J.; Wischmeier, M.; Withenshaw, G.; Withycombe, A.; Witts, D. M.; Wood, D.; Wood, R.; Woodley, C.; Wray, S.; Wright, J.; Wright, J. C.; Wu, J.; Wukitch, S.; Wynn, A.; Xu, T.; Yadikin, D.; Yanling, W.; Yao, L.; Yavorskij, V.; Yoo, M. G.; Young, C.; Young, D.; Young, I. D.; Young, R.; Zacks, J.; Zagorski, R.; Zaitsev, F. S.; Zanino, R.; Zarins, A.; Zastrow, K. D.; Zerbini, M.; Zhang, W.; Zhou, Y.; Zilli, E.; Zoita, V.; Zoletnik, S.; Zychor, I.

2017-10-01

We describe a new technique for the efficient generation of high-energy ions with electromagnetic ion cyclotron waves in multi-ion plasmas. The discussed `three-ion' scenarios are especially suited for strong wave absorption by a very low number of resonant ions. To observe this effect, the plasma composition has to be properly adjusted, as prescribed by theory. We demonstrate the potential of the method on the world-largest plasma magnetic confinement device, JET (Joint European Torus, Culham, UK), and the high-magnetic-field tokamak Alcator C-Mod (Cambridge, USA). The obtained results demonstrate efficient acceleration of 3He ions to high energies in dedicated hydrogen-deuterium mixtures. Simultaneously, effective plasma heating is observed, as a result of the slowing-down of the fast 3He ions. The developed technique is not only limited to laboratory plasmas, but can also be applied to explain observations of energetic ions in space-plasma environments, in particular, 3He-rich solar flares.

Biomethane production system: Energetic analysis of various scenarios.

PubMed

Wu, Bin; Zhang, Xiangping; Bao, Di; Xu, Yajing; Zhang, Suojiang; Deng, Liyuan

2016-04-01

The energy consumption models of biomethane production system were established, which are more rigorous and universal than the empirical data reported by previous biomethane system energetic assessment work. The energy efficiencies of different scenarios considering factors such as two digestion modes, two heating modes of digester, with or without heat exchange between slurry and feedstock, and four crude biogas upgrading technologies were evaluated. Results showed the scenario employing thermophilic digestion and high pressure water scrubbing technology, with heat exchange between feedstock and slurry, and heat demand of digester supplied by the energy source outside the system has the highest energy efficiency (46.5%) and lowest energy consumption (13.46 MJth/Nm(3) CH4), while scenario employing mesophilic digestion and pressure swing adsorption technology, without heat exchange and heat demand of digester supplied by combusting the biogas produced inside the system has the lowest energy efficiency (15.8%) and highest energy consumption (34.90 MJth/Nm(3) CH4). Copyright © 2016 Elsevier Ltd. All rights reserved.

Energetic-environmental-economic assessment of the biogas system with three utilization pathways: Combined heat and power, biomethane and fuel cell.

PubMed

Wu, Bin; Zhang, Xiangping; Shang, Dawei; Bao, Di; Zhang, Suojiang; Zheng, Tao

2016-08-01

A typical biogas system with three utilization pathways, i.e., biogas upgrading, biogas combined heat and power (CHP), biogas solid oxide fuel cells (SOFCs) were designed. It was assessed from the viewpoint of energy, environment and economy by using energy efficiency, green degree and net present value index respectively. The assessment considered the trade-off relationships among these indexes, which is more comprehensive than previous systematic evaluation work only included single or two of the pathway(s) by using one or two of the index(es). Assessment results indicated that biogas upgrading pathway has the highest systematic energy efficiency (46.5%) and shortest payback period (8.9year) with the green degree production is the lowest (9.29gd/day). While for biogas SOFC pathway, although the green degree production is the highest (21.77gd/day), the payback period is longer (14.5year) and the energy efficiency is 13.6% lower than the biogas upgrading pathway. Copyright © 2016 Elsevier Ltd. All rights reserved.

Design of New Bridge-Ring Energetic Compounds Obtained by Diels-Alder Reactions of Tetranitroethylene Dienophile.

PubMed

He, Piao; Mei, Hao-Zheng; Wu, Le; Yang, Jun-Qing; Zhang, Jian-Guo; Cohen, Adva; Gozin, Michael

2018-03-29

The density functional theory method was employed to calculate three-dimensional structures for a series of novel explosophores. The design of new molecules (DA1-DA12) was based on the bridge-ring structures that could be formed via Diels-Alder (DA) reaction of selected nitrogen-rich dienes and tetranitroethylene dienophile. The feasibility of the proposed DA reactions was predicted on the basis of the molecular orbital theory. The strong interactions between the HOMO of dienes, with electron-donating groups (Diene2, Diene6, and Diene8), and the LUMO of tetranitroethylene dienophile suggested thermodynamically favorable formation of the desired DA reaction products. In addition to molecular structures of the explored DA compounds, their physicochemical and energetic properties were also calculated in detail. Due to compact bridge-ring structures, new energetic molecules have highly positive heats of formation (up to 1124.90 kJ·mol -1 ) and high densities (up to 2.04 g·cm -3 ). Also, as a result of all-right ratios of nitrogen and oxygen, most of the new compounds possess high detonation velocities (8.28-10.02 km·s -1 ) and high detonation pressures (30.87-47.83 GPa). Energetic compounds DA1, DA4, and DA12 exhibit a superior detonation performance over widely used HMX explosive, and DA5, DA7, and DA10 could be comparable to the state-of-the-art CL-20 and ONC explosives. Our proposed designs and synthetic methodology should provide a platform for the development of novel energetic materials with superior performance.

Atmospheric CO2 enrichment alters energy assimilation, investment and allocation in Xanthium strumarium.

PubMed

Nagel, Jennifer M; Wang, Xianzhong; Lewis, James D; Fung, Howard A; Tissue, David T; Griffin, Kevin L

2005-05-01

Energy-use efficiency and energy assimilation, investment and allocation patterns are likely to influence plant growth responses to increasing atmospheric CO2 concentration ([CO2]). Here, we describe the influence of elevated [CO2] on energetic properties as a mechanism of growth responses in Xanthium strumarium. Individuals of X. strumarium were grown at ambient or elevated [CO2] and harvested. Total biomass and energetic construction costs (CC) of leaves, stems, roots and fruits and percentage of total biomass and energy allocated to these components were determined. Photosynthetic energy-use efficiency (PEUE) was calculated as the ratio of total energy gained via photosynthetic activity (Atotal) to leaf CC. Elevated [CO2] increased leaf Atotal, but decreased CC per unit mass of leaves and roots. Consequently, X. strumarium individuals produced more leaf and root biomass at elevated [CO2] without increasing total energy investment in these structures (CCtotal). Whole-plant biomass was associated positively with PEUE. Whole-plant construction required 16.1% less energy than modeled whole-plant energy investment had CC not responded to increased [CO2]. As a physiological mechanism affecting growth, altered energetic properties could positively influence productivity of X. strumarium, and potentially other species, at elevated [CO2].

Design, implementation and evaluation of a practical pseudoknot folding algorithm based on thermodynamics

PubMed Central

Reeder, Jens; Giegerich, Robert

2004-01-01

Background The general problem of RNA secondary structure prediction under the widely used thermodynamic model is known to be NP-complete when the structures considered include arbitrary pseudoknots. For restricted classes of pseudoknots, several polynomial time algorithms have been designed, where the O(n6)time and O(n4) space algorithm by Rivas and Eddy is currently the best available program. Results We introduce the class of canonical simple recursive pseudoknots and present an algorithm that requires O(n4) time and O(n2) space to predict the energetically optimal structure of an RNA sequence, possible containing such pseudoknots. Evaluation against a large collection of known pseudoknotted structures shows the adequacy of the canonization approach and our algorithm. Conclusions RNA pseudoknots of medium size can now be predicted reliably as well as efficiently by the new algorithm. PMID:15294028

Time Projection Chamber Polarimeters for X-ray Astrophysics

NASA Astrophysics Data System (ADS)

Hill, Joanne; Black, Kevin; Jahoda, Keith

2015-04-01

Time Projection Chamber (TPC) based X-ray polarimeters achieve the sensitivity required for practical and scientifically significant astronomical observations, both galactic and extragalactic, with a combination of high analyzing power and good quantum efficiency. TPC polarimeters at the focus of an X-ray telescope have low background and large collecting areas providing the ability to measure the polarization properties of faint persistent sources. TPCs based on drifting negative ions rather than electrons permit large detector collecting areas with minimal readout electronics enabling wide field of view polarimeters for observing unpredictable, bright transient sources such as gamma-ray bursts. We described here the design and expected performance of two different TPC polarimeters proposed for small explorer missions: The PRAXyS (Polarimetry of Relativistic X-ray Sources) X-ray Polarimeter Instrument, optimized for observations of faint persistent sources and the POET (Polarimetry of Energetic Transients) Low Energy Polarimeter, designed to detect and measure bright transients. also NASA/GSFC.

Experimental Investigation of the Role of Defects in Detonation Sensitivity of Energetic Materials: Development of Techniques for Characterization

DTIC Science & Technology

2009-12-31

materials. The initial work was focused on design and construction of an apparatus for injecting defects into the crystals using PZT ceramics ...in the energy partitioning (Table 2), which offers some insight into the nature of the energetic texture of crystalline materials not apparent in

Integrated Science Investigation of the Sun (ISIS): Design of the Energetic Particle Investigation

NASA Technical Reports Server (NTRS)

McComas, D. J.; Alexander, N.; Angold, N.; Bale, S.; Beebe, C.; Birdwell, B.; Boyle, M.; Burgum, J. M.; Burnham, J. A.; Christian, E. R.;

Integrated Science Investigation of the Sun (ISIS): Design of the Energetic Particle Investigation

NASA Astrophysics Data System (ADS)

McComas, D. J.; Alexander, N.; Angold, N.; Bale, S.; Beebe, C.; Birdwell, B.; Boyle, M.; Burgum, J. M.; Burnham, J. A.; Christian, E. R.; Cook, W. R.; Cooper, S. A.; Cummings, A. C.; Davis, A. J.; Desai, M. I.; Dickinson, J.; Dirks, G.; Do, D. H.; Fox, N.; Giacalone, J.; Gold, R. E.; Gurnee, R. S.; Hayes, J. R.; Hill, M. E.; Kasper, J. C.; Kecman, B.; Klemic, J.; Krimigis, S. M.; Labrador, A. W.; Layman, R. S.; Leske, R. A.; Livi, S.; Matthaeus, W. H.; McNutt, R. L.; Mewaldt, R. A.; Mitchell, D. G.; Nelson, K. S.; Parker, C.; Rankin, J. S.; Roelof, E. C.; Schwadron, N. A.; Seifert, H.; Shuman, S.; Stokes, M. R.; Stone, E. C.; Vandegriff, J. D.; Velli, M.; von Rosenvinge, T. T.; Weidner, S. E.; Wiedenbeck, M. E.; Wilson, P.

2016-12-01

The Integrated Science Investigation of the Sun (ISIS) is a complete science investigation on the Solar Probe Plus (SPP) mission, which flies to within nine solar radii of the Sun's surface. ISIS comprises a two-instrument suite to measure energetic particles over a very broad energy range, as well as coordinated management, science operations, data processing, and scientific analysis. Together, ISIS observations allow us to explore the mechanisms of energetic particles dynamics, including their: (1) Origins—defining the seed populations and physical conditions necessary for energetic particle acceleration; (2) Acceleration—determining the roles of shocks, reconnection, waves, and turbulence in accelerating energetic particles; and (3) Transport—revealing how energetic particles propagate from the corona out into the heliosphere. The two ISIS Energetic Particle Instruments measure lower (EPI-Lo) and higher (EPI-Hi) energy particles. EPI-Lo measures ions and ion composition from ˜20 keV/nucleon-15 MeV total energy and electrons from ˜25-1000 keV. EPI-Hi measures ions from ˜1-200 MeV/nucleon and electrons from ˜0.5-6 MeV. EPI-Lo comprises 80 tiny apertures with fields-of-view (FOVs) that sample over nearly a complete hemisphere, while EPI-Hi combines three telescopes that together provide five large-FOV apertures. ISIS observes continuously inside of 0.25 AU with a high data collection rate and burst data (EPI-Lo) coordinated with the rest of the SPP payload; outside of 0.25 AU, ISIS runs in low-rate science mode whenever feasible to capture as complete a record as possible of the solar energetic particle environment and provide calibration and continuity for measurements closer in to the Sun. The ISIS Science Operations Center plans and executes commanding, receives and analyzes all ISIS data, and coordinates science observations and analyses with the rest of the SPP science investigations. Together, ISIS' unique observations on SPP will enable the discovery, untangling, and understanding of the important physical processes that govern energetic particles in the innermost regions of our heliosphere, for the first time. This paper summarizes the ISIS investigation at the time of the SPP mission Preliminary Design Review in January 2014.

Injector nozzle for molten salt destruction of energetic waste materials

DOEpatents

Brummond, William A.; Upadhye, Ravindra S.

1996-01-01

An injector nozzle has been designed for safely injecting energetic waste materials, such as high explosives, propellants, and rocket fuels, into a molten salt reactor in a molten salt destruction process without premature detonation or back burn in the injection system. The energetic waste material is typically diluted to form a fluid fuel mixture that is injected rapidly into the reactor. A carrier gas used in the nozzle serves as a carrier for the fuel mixture, and further dilutes the energetic material and increases its injection velocity into the reactor. The injector nozzle is cooled to keep the fuel mixture below the decomposition temperature to prevent spontaneous detonation of the explosive materials before contact with the high-temperature molten salt bath.

Injector nozzle for molten salt destruction of energetic waste materials

DOEpatents

Brummond, W.A.; Upadhye, R.S.

1996-02-13

An injector nozzle has been designed for safely injecting energetic waste materials, such as high explosives, propellants, and rocket fuels, into a molten salt reactor in a molten salt destruction process without premature detonation or back burn in the injection system. The energetic waste material is typically diluted to form a fluid fuel mixture that is injected rapidly into the reactor. A carrier gas used in the nozzle serves as a carrier for the fuel mixture, and further dilutes the energetic material and increases its injection velocity into the reactor. The injector nozzle is cooled to keep the fuel mixture below the decomposition temperature to prevent spontaneous detonation of the explosive materials before contact with the high-temperature molten salt bath. 2 figs.

Molecular Structure Controlled Transitions between Free-Charge Generation and Trap Formation in a Conjugated Copolymer Series

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

Pandit, Bill; Jackson, Nicholas E.; Zheng, Tianyue

2016-03-03

Charge transfer copolymers, where each repeating unit has at least one “donor” and one “acceptor” block, have played important roles in recent advances in organic photovoltaic (OPV) devices, however design criteria for these materials are still not completely clear. Here we show that the well-recognized LUMO-LUMO energy off-set design criterion for OPV materials using a fullerene acceptor is challenged in a series of copolymers, PTRn (n = 3, 5, 7 and 9), where n is the number of fused aromatic rings in the “donor” block and thienothiophene is the “acceptor” block in each repeating unit. Photoexcitation dynamics of PTRn copolymersmore » in solution and BHJ (bulk heterojunction) films demonstrated that local push-pull interactions between the “donor” block and the “acceptor” block weakens with increasing n, whereas the LUMO-LUMO off-set between the polymer and PC71BM (Phenyl-C71-butyric acid methyl ester) increases. Such a counter intuitive trend can be explained by local energetics of each repeating unit as a function of n. The energetic changes transform the copolymer with strong local charge transfer character for efficient hole-electron separation to localized hole-electron pairs with low mobility, despite the apparent increase of the polymer/PC71BM LUMO-LUMO off-set. This suggests the importance of local charge transfer character in these copolymers in the initial exciton splitting dynamics, which could ultimately be reflected in the device performance.« less

A spin transition mechanism for cooperative adsorption in metal-organic frameworks

NASA Astrophysics Data System (ADS)

Reed, Douglas A.; Keitz, Benjamin K.; Oktawiec, Julia; Mason, Jarad A.; Runčevski, Tomče; Xiao, Dianne J.; Darago, Lucy E.; Crocellà, Valentina; Bordiga, Silvia; Long, Jeffrey R.

2017-10-01

Cooperative binding, whereby an initial binding event facilitates the uptake of additional substrate molecules, is common in biological systems such as haemoglobin. It was recently shown that porous solids that exhibit cooperative binding have substantial energetic benefits over traditional adsorbents, but few guidelines currently exist for the design of such materials. In principle, metal-organic frameworks that contain coordinatively unsaturated metal centres could act as both selective and cooperative adsorbents if guest binding at one site were to trigger an electronic transformation that subsequently altered the binding properties at neighbouring metal sites. Here we illustrate this concept through the selective adsorption of carbon monoxide (CO) in a series of metal-organic frameworks featuring coordinatively unsaturated iron(II) sites. Functioning via a mechanism by which neighbouring iron(II) sites undergo a spin-state transition above a threshold CO pressure, these materials exhibit large CO separation capacities with only small changes in temperature. The very low regeneration energies that result may enable more efficient Fischer-Tropsch conversions and extraction of CO from industrial waste feeds, which currently underutilize this versatile carbon synthon. The electronic basis for the cooperative adsorption demonstrated here could provide a general strategy for designing efficient and selective adsorbents suitable for various separations.

The Energetic Demands and Planetary Footprint of Alternative Human Diets

NASA Astrophysics Data System (ADS)

Eshel, G.; Martin, P. A.

2005-12-01

Agriculture is one of the major vehicles of human alteration of the planetary environment. Yet different diets vary vastly in terms of both their energetic demands and overall planetary footprint. We present a quantitative argument that demonstrates that plant-based diets exert vastly smaller planetary environmental cost than animal-based ones. We demonstrate that under a reasonable and readily defensible set of assumptions, a plant-based diet differs from the average American diet by as much energy as the difference between driving a compact and efficient sedan and a Sport Utility Vehicle.

Stochastic Stirling Engine Operating in Contact with Active Baths

NASA Astrophysics Data System (ADS)

Zakine, Ruben; Solon, Alexandre; Gingrich, Todd; van Wijland, Frédéric

2017-04-01

A Stirling engine made of a colloidal particle in contact with a nonequilibrium bath is considered and analyzed with the tools of stochastic energetics. We model the bath by non Gaussian persistent noise acting on the colloidal particle. Depending on the chosen definition of an isothermal transformation in this nonequilibrium setting, we find that either the energetics of the engine parallels that of its equilibrium counterpart or, in the simplest case, that it ends up being less efficient. Persistence, more than non Gaussian effects, are responsible for this result.

Simulation of loss mechanisms in organic solar cells: A description of the mesoscopic Monte Carlo technique and an evaluation of the first reaction method.

PubMed

Groves, Chris; Kimber, Robin G E; Walker, Alison B

2010-10-14

In this letter we evaluate the accuracy of the first reaction method (FRM) as commonly used to reduce the computational complexity of mesoscale Monte Carlo simulations of geminate recombination and the performance of organic photovoltaic devices. A wide range of carrier mobilities, degrees of energetic disorder, and applied electric field are considered. For the ranges of energetic disorder relevant for most polyfluorene, polythiophene, and alkoxy poly(phenylene vinylene) materials used in organic photovoltaics, the geminate separation efficiency predicted by the FRM agrees with the exact model to better than 2%. We additionally comment on the effects of equilibration on low-field geminate separation efficiency, and in doing so emphasize the importance of the energy at which geminate carriers are created upon their subsequent behavior.

A Kinetic-MHD Theory for the Self-Consistent Energy Exchange Between Energetic Particles and Active Small-scale Flux Ropes

NASA Astrophysics Data System (ADS)

le Roux, J. A.

2017-12-01

We developed previously a focused transport kinetic theory formalism with Fokker-plank coefficients (and its Parker transport limit) to model large-scale energetic particle transport and acceleration in solar wind regions with multiple contracting and merging small-scale flux ropes on MHD (inertial) scales (Zank et al. 2014; le Roux et al. 2015). The theory unifies the main acceleration mechanisms identified in particle simulations for particles temporarily trapped in such active flux rope structures, such as acceleration by the parallel electric field in reconnection regions between merging flux ropes, curvature drift acceleration in incompressible/compressible contracting and merging flux ropes, and betatron acceleration (e.g., Dahlin et al 2016). Initial analytical solutions of the Parker transport equation in the test particle limit showed that the energetic particle pressure from efficient flux-rope energization can potentially be high in turbulent solar wind regions containing active flux-rope structures. This requires taking into account the back reaction of energetic particles on flux ropes to more accurately determine the efficiency of energetic particles acceleration by small-scale flux ropes. To accomplish this goal we developed recently an extension of the kinetic theory to a kinetic-MHD level. We will present the extended theory showing the focused transport equation to be coupled to a solar wind MHD transport equation for small-scale flux-rope energy density extracted from a recently published nearly incompressible theory for solar wind MHD turbulence with a plasma beta of 1 (Zank et al. 2017). In the flux-rope transport equation appears new expressions for the damping/growth rates of flux-rope energy derived from assuming energy conservation in the interaction between energetic particles and small-scale flux ropes for all the main flux-rope acceleration mechanisms, whereas previous expressions for average particle acceleration rates have been explored in more detail. Future applications will involve exploring the relative role of diffusive shock and flux-ropes acceleration in the vicinity of traveling shocks in the supersonic solar wind near Earth where many flux-rope structures were detected recently (Hu et al 2017, this session).

Thermally enhanced photoluminescence for energy harvesting: from fundamentals to engineering optimization

NASA Astrophysics Data System (ADS)

Kruger, N.; Kurtulik, M.; Revivo, N.; Manor, A.; Sabapathy, T.; Rotschild, C.

2018-05-01

The radiance of thermal emission, as described by Planck’s law, depends only on the emissivity and temperature of a body, and increases monotonically with the temperature rise at any emitted wavelength. Non-thermal radiation, such as photoluminescence (PL), is a fundamental light–matter interaction that conventionally involves the absorption of an energetic photon, thermalization, and the emission of a redshifted photon. Such a quantum process is governed by rate conservation, which is contingent on the quantum efficiency. In the past, the role of rate conservation for significant thermal excitation had not been studied. Recently, we presented the theory and an experimental demonstration that showed, in contrast to thermal emission, that the PL rate is conserved when the temperature increases while each photon is blueshifted. A further rise in temperature leads to an abrupt transition to thermal emission where the photon rate increases sharply. We also demonstrated how such thermally enhanced PL (TEPL) generates orders of magnitude more energetic photons than thermal emission at similar temperatures. These findings show that TEPL is an ideal optical heat pump that can harvest thermal losses in photovoltaics with a maximal theoretical efficiency of 70%, and practical concepts potentially reaching 45% efficiency. Here we move the TEPL concept onto the engineering level and present Cr:Nd:YAG as device grade PL material, absorbing solar radiation up to 1 μm wavelength and heated by thermalization of energetic photons. Its blueshifted emission, which can match GaAs cells, is 20% of the absorbed power. Based on a detailed balance simulation, such a material coupled with proper photonic management can reach 34% power conversion efficiency. These results raise confidence in the potential of TEPL becoming a disruptive technology in photovoltaics.

LMJ Target design with the A1040 CH-ignition capsule in a cocktail holraum

NASA Astrophysics Data System (ADS)

Malinie, G.; Boniface, C.

2008-11-01

The A1040 indirect-drive ignition capsule was originally designed for the ``Full LMJ'' 240-beam configuration. An ``Ignition milestone'' has been scheduled, when the LMJ will be only partly completed, with a 160-beam, 2-cone configuration. A first approach to meet this milestone is to scale down the capsule and hohlraum of the full LMJ design. Here we use a different approach and show the A1040 ``as is'' can still meet the milestone, provided that a suitable cocktail-walled rugby hohlraum is used to drive the capsule. This is because this kind of hohlraum has a better energetic efficiency than the gold-walled cylinder originally used. From 1D and 2D integrated simulations, we investigate the influence of various parameters of the design, such as the shape of the four steps of the laser pulse, the density of the H/He gas filling of the hohlraum, and the effect of a thin gold coating on the outer surface of the polyimid window used to contain the gas.

Design of Energetic Ionic Liquids (Preprint)

DTIC Science & Technology

2008-05-07

mesoscale-level simulations of bulk ionic liquids based upon multiscale coarse graining techniques. 15. SUBJECT TERMS 16. SECURITY...simulations utilizing polarizable force fields, and mesoscale-level simulations of bulk ionic liquids based upon multiscale coarse graining...Simulations of the Energetic Ionic Liquid 1-hydroxyethyl-4-amino-1, 2, 4- triazolium Nitrate (HEATN): Molecular dynamics (MD) simulations have been

Non-adiabatic Excited State Molecule Dynamics Modeling of Photochemistry and Photophysics of Materials

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

Nelson, Tammie Renee; Tretiak, Sergei

2017-01-06

Understanding and controlling excited state dynamics lies at the heart of all our efforts to design photoactive materials with desired functionality. This tailor-design approach has become the standard for many technological applications (e.g., solar energy harvesting) including the design of organic conjugated electronic materials with applications in photovoltaic and light-emitting devices. Over the years, our team has developed efficient LANL-based codes to model the relevant photophysical processes following photoexcitation (spatial energy transfer, excitation localization/delocalization, and/or charge separation). The developed approach allows the non-radiative relaxation to be followed on up to ~10 ps timescales for large realistic molecules (hundreds of atomsmore » in size) in the realistic solvent dielectric environment. The Collective Electronic Oscillator (CEO) code is used to compute electronic excited states, and the Non-adiabatic Excited State Molecular Dynamics (NA-ESMD) code is used to follow the non-adiabatic dynamics on multiple coupled Born-Oppenheimer potential energy surfaces. Our preliminary NA-ESMD simulations have revealed key photoinduced mechanisms controlling competing interactions and relaxation pathways in complex materials, including organic conjugated polymer materials, and have provided a detailed understanding of photochemical products and intermediates and the internal conversion process during the initiation of energetic materials. This project will be using LANL-based CEO and NA-ESMD codes to model nonradiative relaxation in organic and energetic materials. The NA-ESMD and CEO codes belong to a class of electronic structure/quantum chemistry codes that require large memory, “long-queue-few-core” distribution of resources in order to make useful progress. The NA-ESMD simulations are trivially parallelizable requiring ~300 processors for up to one week runtime to reach a meaningful restart point.« less

RNA turnover and protein synthesis in fish cells.

PubMed

Smith, R W; Palmer, R M; Houlihan, D F

2000-03-01

Protein synthesis in fish has been previously correlated with RNA content. The present study investigates whether protein and RNA synthesis rates are similarly related. Protein and RNA synthesis rates were determined from 3H-phenylalanine and 3H-uridine incorporation, respectively, and expressed as % x day(-1) and half-lives, respectively. Three fibroblast cell lines were used: BF-2, RTP, CHSE 214, which are derived from the bluegill, rainbow trout and Chinook salmon, respectively. These cells contained similar RNA concentrations (approximately 175 microg RNA x mg(-1) cell protein). Therefore differences in protein synthesis rates, BF-2 (31.3 +/- 1.8)>RTP (25.1 +/- 1.7)>CHSE 214 (17.6 +/-1.1), were attributable to RNA translational efficiency. The most translationally efficient RNA (BF-2 cells), 1.8 mg protein synthesised x microg(-1) RNA x day(-1), corresponded to the lowest RNA half-life, 75.4 +/- 6.4 h. Translationally efficient RNA was also energetically efficient with BF-2 cells exploiting the least costly route of nucleotide supply (i.e. exogenous salvage) 3.5-6.0 times more than the least translationally efficient RNA (CHSE 214 cells). These data suggest that differential nucleotide supply, between intracellular synthesis and exogenous salvage, constitutes the area of pre-translational flexibility exploited to maintain RNA synthesis as a fixed energetic cost component of protein synthesis.

Honeybee economics: optimisation of foraging in a variable world.

PubMed

Stabentheiner, Anton; Kovac, Helmut

2016-06-20

In honeybees fast and efficient exploitation of nectar and pollen sources is achieved by persistent endothermy throughout the foraging cycle, which means extremely high energy costs. The need for food promotes maximisation of the intake rate, and the high costs call for energetic optimisation. Experiments on how honeybees resolve this conflict have to consider that foraging takes place in a variable environment concerning microclimate and food quality and availability. Here we report, in simultaneous measurements of energy costs, gains, and intake rate and efficiency, how honeybee foragers manage this challenge in their highly variable environment. If possible, during unlimited sucrose flow, they follow an 'investment-guided' ('time is honey') economic strategy promising increased returns. They maximise net intake rate by investing both own heat production and solar heat to increase body temperature to a level which guarantees a high suction velocity. They switch to an 'economizing' ('save the honey') optimisation of energetic efficiency if the intake rate is restricted by the food source when an increased body temperature would not guarantee a high intake rate. With this flexible and graded change between economic strategies honeybees can do both maximise colony intake rate and optimise foraging efficiency in reaction to environmental variation.

Green colorants based on energetic azole borates.

PubMed

Glück, Johann; Klapötke, Thomas M; Rusan, Magdalena; Stierstorfer, Jörg

2014-11-24

The investigation of green-burning boron-based compounds as colorants in pyrotechnic formulations as alternative for barium nitrate, which is a hazard to health and to the environment, is reported. Metal-free and nitrogen-rich dihydrobis(5-aminotetrazolyl)borate salts and dihydrobis(1,3,4-triazolyl)borate salts have been synthesized and characterized by NMR spectroscopy, elemental analysis, mass spectrometry, and vibrational spectroscopy. Their thermal and energetic properties have been determined as well. Several pyrotechnic compositions using selected azolyl borate salts as green colorants were investigated. Formulations with ammonium dinitramide and ammonium nitrate as oxidizers and boron and magnesium as fuels were tested. The burn time, dominant wavelength, spectral purity, luminous intensity, and luminous efficiency as well as the thermal and energetic properties of these compositions were measured. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A Hitch-hiker's Guide to Stochastic Differential Equations. Solution Methods for Energetic Particle Transport in Space Physics and Astrophysics

NASA Astrophysics Data System (ADS)

Strauss, R. Du Toit; Effenberger, Frederic

2017-10-01

In this review, an overview of the recent history of stochastic differential equations (SDEs) in application to particle transport problems in space physics and astrophysics is given. The aim is to present a helpful working guide to the literature and at the same time introduce key principles of the SDE approach via "toy models". Using these examples, we hope to provide an easy way for newcomers to the field to use such methods in their own research. Aspects covered are the solar modulation of cosmic rays, diffusive shock acceleration, galactic cosmic ray propagation and solar energetic particle transport. We believe that the SDE method, due to its simplicity and computational efficiency on modern computer architectures, will be of significant relevance in energetic particle studies in the years to come.

Influence of Energetic Disorder on Exciton Lifetime and Photoluminescence Efficiency in Conjugated Polymers.

PubMed

Rörich, Irina; Mikhnenko, Oleksandr V; Gehrig, Dominik; Blom, Paul W M; Crăciun, N Irina

2017-02-16

Using time-resolved photoluminescence (TRPL) spectroscopy the exciton lifetime in a range of conjugated polymers is investigated. For poly(p-phenylenevinylene) (PPV)-based derivatives and a polyspirobifluorene copolymer (PSBF) we find that the exciton lifetime is correlated with the energetic disorder. Better ordered polymers exhibit a single exponential PL decay with exciton lifetimes of a few hundred picoseconds, whereas polymers with a larger degree of disorder show multiexponential PL decays with exciton lifetimes in the nanosecond regime. These observations are consistent with diffusion-limited exciton quenching at nonradiative recombination centers. The measured PL decay time reflects the time that excitons need to diffuse toward these quenching sites. Conjugated polymers with large energetic disorder and thus longer exciton lifetime also exhibit a higher photoluminescence quantum yield due to the slower exciton diffusion toward nonradiative quenching sites.

Free-standing leaping experiments with a power-autonomous elastic-spined quadruped

NASA Astrophysics Data System (ADS)

Pusey, Jason L.; Duperret, Jeffrey M.; Haynes, G. Clark; Knopf, Ryan; Koditschek, Daniel E.

2013-05-01

We document initial experiments with Canid, a freestanding, power-autonomous quadrupedal robot equipped with a parallel actuated elastic spine. Research into robotic bounding and galloping platforms holds scientific and engineering interest because it can both probe biological hypotheses regarding bounding and galloping mammals and also provide the engineering community with a new class of agile, efficient and rapidly-locomoting legged robots. We detail the design features of Canid that promote our goals of agile operation in a relatively cheap, conventionally prototyped, commercial off-the-shelf actuated platform. We introduce new measurement methodology aimed at capturing our robot's "body energy" during real time operation as a means of quantifying its potential for agile behavior. Finally, we present joint motor, inertial and motion capture data taken from Canid's initial leaps into highly energetic regimes exhibiting large accelerations that illustrate the use of this measure and suggest its future potential as a platform for developing efficient, stable, hence useful bounding gaits.

Orbital Transfer Techniques for Round-Trip Mars Missions

NASA Technical Reports Server (NTRS)

Landau, Damon

2013-01-01

The human exploration of Phobos and Deimos or the retrieval of a surface sample launched to low-Mars orbit presents a highly constrained orbital transfer problem. In general, the plane of the target orbit will not be accessible from the arrival or departure interplanetary trajectories with an (energetically optimal) tangential burn at periapsis. The orbital design is further complicated by the addition of a high-energy parking orbit for the relatively massive Deep Space Vehicle to reduce propellant expenditure, while the crew transfers to and from the target orbit in a smaller Space Exploration Vehicle. The proposed strategy shifts the arrival and departure maneuvers away from periapsis so that the apsidal line of the parking orbit lies in the plane of the target orbit, permitting highly efficient plane change maneuvers at apoapsis of the elliptical parking orbit. An apsidal shift during the arrival or departure maneuver is approximately five times as efficient as maneuvering while in Mars orbit, thus significantly reducing the propellant necessary to transfer between the arrival, target, and departure orbits.

Fe embedded in ice: The impacts of sublimation and energetic particle bombardment

NASA Astrophysics Data System (ADS)

Frankland, Victoria L.; Plane, John M. C.

2015-05-01

Icy particles containing a variety of Fe compounds are present in the upper atmospheres of planets such as the Earth and Saturn. In order to explore the role of ice sublimation and energetic ion bombardment in releasing Fe species into the gas phase, Fe-dosed ice films were prepared under UHV conditions in the laboratory. Temperature-programmed desorption studies of Fe/H2O films revealed that no Fe atoms or Fe-containing species co-desorbed along with the H2O molecules. This implies that when noctilucent ice cloud particles sublimate in the terrestrial mesosphere, the metallic species embedded in them will coalesce to form residual particles. Sputtering of the Fe-ice films by energetic Ar+ ions was shown to be an efficient mechanism for releasing Fe into the gas phase, with a yield of 0.08 (Ar+ energy=600 eV). Extrapolating with a semi-empirical sputtering model to the conditions of a proton aurora indicates that sputtering by energetic protons (>100 keV) should also be efficient. However, the proton flux in even an intense aurora will be too low for the resulting injection of Fe species into the gas phase to compete with that from meteoric ablation. In contrast, sputtering of the icy particles in the main rings of Saturn by energetic O+ ions may be the source of recently observed Fe+ in the Saturnian magnetosphere. Electron sputtering (9.5 keV) produced no detectable Fe atoms or Fe-containing species. Finally, it was observed that Fe(OH)2 was produced when Fe was dosed onto an ice film at 140 K (but not at 95 K). Electronic structure theory shows that the reaction which forms this hydroxide from adsorbed Fe has a large barrier of about 0.7 eV, from which we conclude that the reaction requires both translationally hot Fe atoms and mobile H2O molecules on the ice surface.

Characteristics of Energetic Particle Acceleration in Hot Flow Anomalies Observed by MMS

NASA Astrophysics Data System (ADS)

Turner, D. L.; Schwartz, S. J.; Wilson, L. B., III; Liu, T. Z.; Osmane, A.; Fennell, J. F.; Blake, J. B.; Jaynes, A. N.; Goodrich, K.; Mauk, B.; Gershman, D. J.; Avanov, L. A.; Strangeway, R. J.; Torbert, R. B.; Burch, J. L.; Leonard, T. W.

2017-12-01

During its orbital transits with apogees on Earth's dayside, NASA's Magnetospheric Multiscale (MMS) mission captured high resolution observations from several transient ion foreshock phenomena, including multiple hot flow anomalies (HFAs). With MMS' four identically instrumented spacecraft, those events offer unprecedented multipoint observations and resolution of plasma, energetic particles, and electric and magnetic fields and waves within and around HFAs. In this presentation, we compare and contrast the geometries and characteristics of fully-developed HFAs observed by MMS in the interest of determining which HFAs are most efficient at accelerating energetic particles (i.e. >1 to 100s of keV electrons, protons, and heavy ions) and how those HFAs may do so. In particular, we focus on: 1) the orientation of the fast magnetosonic shocks and wave activity that form at the upstream edge of HFAs and 2) how the unique structures and activity characteristic of HFAs may result in enhanced acceleration of energetic particles via shock acceleration processes and shock-shock interactions between the HFA shock and Earth's bow shock. The results of this study are of interest to previous studies of foreshock transients from missions such as THEMIS and Cluster, are relevant to the dayside science objectives of the MMS extended mission, and may have implications for energetic particle acceleration at other astrophysical shocks throughout the Universe.

Quasi-coarse-grained dynamics: modelling of metallic materials at mesoscales

NASA Astrophysics Data System (ADS)

Dongare, Avinash M.

2014-12-01

A computationally efficient modelling method called quasi-coarse-grained dynamics (QCGD) is developed to expand the capabilities of molecular dynamics (MD) simulations to model behaviour of metallic materials at the mesoscales. This mesoscale method is based on solving the equations of motion for a chosen set of representative atoms from an atomistic microstructure and using scaling relationships for the atomic-scale interatomic potentials in MD simulations to define the interactions between representative atoms. The scaling relationships retain the atomic-scale degrees of freedom and therefore energetics of the representative atoms as would be predicted in MD simulations. The total energetics of the system is retained by scaling the energetics and the atomic-scale degrees of freedom of these representative atoms to account for the missing atoms in the microstructure. This scaling of the energetics renders improved time steps for the QCGD simulations. The success of the QCGD method is demonstrated by the prediction of the structural energetics, high-temperature thermodynamics, deformation behaviour of interfaces, phase transformation behaviour, plastic deformation behaviour, heat generation during plastic deformation, as well as the wave propagation behaviour, as would be predicted using MD simulations for a reduced number of representative atoms. The reduced number of atoms and the improved time steps enables the modelling of metallic materials at the mesoscale in extreme environments.

Acceleration and Storage of Energetic Electrons in Magnetic Loops in the Course of Electric Current Oscillations

NASA Astrophysics Data System (ADS)

Zaitsev, V. V.; Stepanov, A. V.

2017-10-01

A mechanism of electron acceleration and storage of energetic particles in solar and stellar coronal magnetic loops, based on oscillations of the electric current, is considered. The magnetic loop is presented as an electric circuit with the electric current generated by convective motions in the photosphere. Eigenoscillations of the electric current in a loop induce an electric field directed along the loop axis. It is shown that the sudden reductions that occur in the course of type IV continuum and pulsating type III observed in various frequency bands (25 - 180 MHz, 110 - 600 MHz, 0.7 - 3.0 GHz) in solar flares provide evidence for acceleration and storage of the energetic electrons in coronal magnetic loops. We estimate the energization rate and the energy of accelerated electrons and present examples of the storage of energetic electrons in loops in the course of flares on the Sun or on ultracool stars. We also discuss the efficiency of the suggested mechanism as compared with the electron acceleration during the five-minute photospheric oscillations and with the acceleration driven by the magnetic Rayleigh-Taylor instability.

Probing interfacial energetics and charge transfer kinetics in semiconductor nanocomposites: New insights into heterostructured TiO 2/BiVO 4 photoanodes

DOE PAGES

Hess, Lucas H.; Cooper, Jason K.; Loiudice, Anna; ...

2017-02-28

Heterostructured nanocomposites offer promise for creating systems exhibiting functional properties that exceed those of the isolated components. For solar energy conversion, such combinations of semiconducting nanomaterials can be used to direct charge transfer along pathways that reduce recombination and promote efficient charge extraction. However, interfacial energetics and associated kinetic pathways often differ significantly from predictions derived from the characteristics of pure component materials, particularly at the nanoscale. Here, the emergent properties of TiO 2/BiVO 4 nanocomposite photoanodes are explored using a combination of X-ray and optical spectroscopies, together with photoelectrochemical (PEC) characterization. Application of these methods to both the puremore » components and the fully assembled nanocomposites reveals unpredicted interfacial energetic alignment, which promotes ultrafast injection of electrons from BiVO 4 into TiO 2. Physical charge separation yields extremely long-lived photoexcited states and correspondingly enhanced photoelectrochemical functionality. This work highlights the importance of probing emergent interfacial energetic alignment and kinetic processes for understanding mechanisms of solar energy conversion in complex nanocomposites.« less

Molecular approaches to solar energy conversion: the energetic cost of charge separation from molecular-excited states.

PubMed

Durrant, James R

2013-08-13

This review starts with a brief overview of the technological potential of molecular-based solar cell technologies. It then goes on to focus on the core scientific challenge associated with using molecular light-absorbing materials for solar energy conversion, namely the separation of short-lived, molecular-excited states into sufficiently long-lived, energetic, separated charges capable of generating an external photocurrent. Comparisons are made between different molecular-based solar cell technologies, with particular focus on the function of dye-sensitized photoelectrochemical solar cells as well as parallels with the function of photosynthetic reaction centres. The core theme of this review is that generating charge carriers with sufficient lifetime and a high quantum yield from molecular-excited states comes at a significant energetic cost-such that the energy stored in these charge-separated states is typically substantially less than the energy of the initially generated excited state. The role of this energetic loss in limiting the efficiency of solar energy conversion by such devices is emphasized, and strategies to minimize this energy loss are compared and contrasted.

Nanoscience for Insensitive Munitions Development (Briefing Charts)

DTIC Science & Technology

2008-12-03

reactive material Ni/Al Hypervelocity collisions of ND Melting of nitromethane Shocked energetic materials Self-sustained detonation of model explosive ...deformation by compressing, stretching or twisting the bond. First Observed by Bridgeman as Explosion of Common Substances Subjected to Pressure and Shear...in Energetic Materials as New Means for Designing Nonconventional High Explosives : An analysis of Soviet Research, Tech Report 1991. A. M

One-point fitting of the flux density produced by a heliostat

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

Collado, Francisco J.

Accurate and simple models for the flux density reflected by an isolated heliostat should be one of the basic tools for the design and optimization of solar power tower systems. In this work, the ability and the accuracy of the Universidad de Zaragoza (UNIZAR) and the DLR (HFCAL) flux density models to fit actual energetic spots are checked against heliostat energetic images measured at Plataforma Solar de Almeria (PSA). Both the fully analytic models are able to acceptably fit the spot with only one-point fitting, i.e., the measured maximum flux. As a practical validation of this one-point fitting, the interceptmore » percentage of the measured images, i.e., the percentage of the energetic spot sent by the heliostat that gets the receiver surface, is compared with the intercept calculated through the UNIZAR and HFCAL models. As main conclusions, the UNIZAR and the HFCAL models could be quite appropriate tools for the design and optimization, provided the energetic images from the heliostats to be used in the collector field were previously analyzed. Also note that the HFCAL model is much simpler and slightly more accurate than the UNIZAR model. (author)« less

First Results from the Jupiter Energetic Particle Detector Instrument (JEDI) Investigation Within the Magnetosphere and Over the Poles of Jupiter

NASA Astrophysics Data System (ADS)

Mauk, B.; Haggerty, D. K.; Paranicas, C.; Clark, G. B.; Kollmann, P.; Rymer, A. M.; Brown, L. E.; Jaskulek, S. E.; Schlemm, C. E.; Kim, C. K.; Nelson, K.; Bolton, S. J.; Bagenal, F.; Connerney, J. E. P.; Gladstone, R.; Kurth, W. S.; Levin, S.; McComas, D. J.; Valek, P. W.

2016-12-01

The Juno spacecraft first entered Jupiter's magnetosphere on 25 June 2016, but evidence for Jupiter's magnetospheric environment was first observed by the Jupiter Energetic Particle Detector Instrument (JEDI) as early as January 2016 in the form of leaking energetic particles observed over 1200 RJ away from Jupiter. JEDI is an energetic particle instrument designed to measure the energy, angular, and compositional distribution of energetic electrons ( 25 to > 700 keV) and ions (protons: 10 keV to > 1.5 MeV). A special set of channels for oxygen and sulfur extend up in energy to > 10 MeV. The JEDI instrument comprises three separate sensor heads, each with multiple (6) telescopes, in order to capture angular distributions of energetic particles over the poles of Jupiter as Juno rushes over auroral forms as narrow as < 80 km at a speed of up to 55 km/s. Since entering Jupiter's magnetosphere JEDI has observed both familiar, and some unfamiliar structures, including: 1) undulations along the dawn flank of Jupiter's magnetosphere possibly signaling the occurrence of Kelvin-Helmholz instability structures thought to play a role in coupling the solar wind energetics to the dynamics of Jupiter's magnetosphere, and 2) spiky electron transients with magnetic field-aligned angular distributions within the distant magnetodisc plasmas conjectured to be related to transient auroral forms observed at other times by the Hubble Space Telescope poleward of Jupiter's main aurora. A principal target of JEDI and other fields and particles instruments on Juno is the near-planet polar regions of Jupiter's space environment, never-before visited by spacecraft. These instruments were designed to determine the physics of auroral acceleration at Jupiter and the role that those processes play in enabling Jupiter to spin up and energize its vast magnetospheric space environment. The first polar pass is scheduled for 27 August 2016. In this report we present the first results from the JEDI instrument after making measurements in this novel polar environment.

The Principle of Energetic Consistency

NASA Technical Reports Server (NTRS)

Cohn, Stephen E.

2009-01-01

A basic result in estimation theory is that the minimum variance estimate of the dynamical state, given the observations, is the conditional mean estimate. This result holds independently of the specifics of any dynamical or observation nonlinearity or stochasticity, requiring only that the probability density function of the state, conditioned on the observations, has two moments. For nonlinear dynamics that conserve a total energy, this general result implies the principle of energetic consistency: if the dynamical variables are taken to be the natural energy variables, then the sum of the total energy of the conditional mean and the trace of the conditional covariance matrix (the total variance) is constant between observations. Ensemble Kalman filtering methods are designed to approximate the evolution of the conditional mean and covariance matrix. For them the principle of energetic consistency holds independently of ensemble size, even with covariance localization. However, full Kalman filter experiments with advection dynamics have shown that a small amount of numerical dissipation can cause a large, state-dependent loss of total variance, to the detriment of filter performance. The principle of energetic consistency offers a simple way to test whether this spurious loss of variance limits ensemble filter performance in full-blown applications. The classical second-moment closure (third-moment discard) equations also satisfy the principle of energetic consistency, independently of the rank of the conditional covariance matrix. Low-rank approximation of these equations offers an energetically consistent, computationally viable alternative to ensemble filtering. Current formulations of long-window, weak-constraint, four-dimensional variational methods are designed to approximate the conditional mode rather than the conditional mean. Thus they neglect the nonlinear bias term in the second-moment closure equation for the conditional mean. The principle of energetic consistency implies that, to precisely the extent that growing modes are important in data assimilation, this term is also important.

Energetic Extremes in Aquatic Locomotion by Coral Reef Fishes

PubMed Central

Fulton, Christopher J.; Johansen, Jacob L.; Steffensen, John F.

2013-01-01

Underwater locomotion is challenging due to the high friction and resistance imposed on a body moving through water and energy lost in the wake during undulatory propulsion. While aquatic organisms have evolved streamlined shapes to overcome such resistance, underwater locomotion has long been considered a costly exercise. Recent evidence for a range of swimming vertebrates, however, has suggested that flapping paired appendages around a rigid body may be an extremely efficient means of aquatic locomotion. Using intermittent flow-through respirometry, we found exceptional energetic performance in the Bluelined wrasse Stethojulis bandanensis, which maintains tuna-like optimum cruising speeds (up to 1 metre s−1) while using 40% less energy than expected for their body size. Displaying an exceptional aerobic scope (22-fold above resting), streamlined rigid-body posture, and wing-like fins that generate lift-based thrust, S. bandanensis literally flies underwater to efficiently maintain high optimum swimming speeds. Extreme energetic performance may be key to the colonization of highly variable environments, such as the wave-swept habitats where S. bandanensis and other wing-finned species tend to occur. Challenging preconceived notions of how best to power aquatic locomotion, biomimicry of such lift-based fin movements could yield dramatic reductions in the power needed to propel underwater vehicles at high speed. PMID:23326566

Progressive Design of Plasmonic Metal-Semiconductor Ensemble toward Regulated Charge Flow and Improved Vis-NIR-Driven Solar-to-Chemical Conversion.

PubMed

Han, Chuang; Quan, Quan; Chen, Hao Ming; Sun, Yugang; Xu, Yi-Jun

2017-04-01

Surface plasmon resonance (SPR)-mediated photocatalysis without the bandgap limitations of traditional semiconductor has aroused significant attention in solar-to-chemical energy conversion. However, the photocatalytic efficiency barely initiated by the SPR effects is still challenged by the low concentration and ineffective extraction of energetic hot electrons, slow charge migration rates, random charge diffusion directions, and the lack of highly active sites for redox reactions. Here, the tunable, progressive harvesting of visible-to-near infrared light (vis-NIR, λ > 570 nm) by designing plasmonic Au nanorods and metal (Au, Ag, or Pt) nanoparticle codecorated 1D CdS nanowire (1D CdS NW) ensemble is reported. The intimate integration of these metal nanostructures with 1D CdS NWs promotes the extraction and manipulated directional separation and migration of hot charge carriers in a more effective manner. Such cooperative synergy with tunable control of interfacial interaction, morphology optimization, and cocatalyst strategy results in the distinctly boosted performance for vis-NIR-driven plasmonic photocatalysis. This work highlights the significance of rationally progressive design of plasmonic metal-semiconductor-based composite system for boosting the regulated directional flow of hot charge carrier and thus the more efficient use of broad-spectrum solar energy conversion. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Mapping the nanoscale energetic landscape in conductive polymer films with spatially super-resolved exciton dynamics

NASA Astrophysics Data System (ADS)

Ginsberg, Naomi

2015-03-01

The migration of Frenkel excitons, tightly-bound electron-hole pairs, in polymeric organic semiconducting films is critical to the efficiency of bulk heterojunction solar cells. While these materials exhibit a high degree of structural heterogeneity on the nanoscale, traditional measurements of exciton diffusion lengths are performed on bulk samples. Since both the characteristic length scales of structural heterogeneity and the reported bulk diffusion lengths are smaller than the optical diffraction limit, we adapt far-field super-resolution fluorescence imaging to uncover the correlations between the structural and energetic landscapes that the excitons explore.

A First Law Thermodynamic Analysis of Biodiesel Production from Soybean

ERIC Educational Resources Information Center

Patzek, Tad W.

2009-01-01

A proper First Law energy balance of the soybean biodiesel cycle shows that the overall efficiency of biodiesel production is 0.18, i.e., only 1 in 5 parts of the solar energy sequestered as soya beans, plus the fossil energy inputs, becomes biodiesel. Soybean meal is produced with an overall energetic efficiency of 0.38, but it is not a fossil…

Absolute and angular efficiencies of a microchannel-plate position-sensitive detector

NASA Technical Reports Server (NTRS)

Gao, R. S.; Gibner, P. S.; Newman, J. H.; Smith, K. A.; Stebbings, R. F.

1984-01-01

This paper presents a characterization of a commercially available position-sensitive detector of energetic ions and neutrals. The detector consists of two microchannel plates followed by a resistive position-encoding anode. The work includes measurement of absolute efficiencies of H(+), He(+), and O(+) ions in the energy range between 250 and 5000 eV, measurement of relative detection efficiencies as a function of particle impact angle, and a simple method for accurate measurement of the time at which a particle strikes the detector.

Measurement of Quantum Yield, Quantum Requirement, and Energetic Efficiency of the O2-Evolving System of Photosynthesis by a Simple Dye Reaction

NASA Astrophysics Data System (ADS)

Ros Barcelò, A.; Zapata, J. M.

1996-11-01

Photosynthesis is the conversion of absorbed radiant energy from sunlight into various forms of chemical energy by the chloroplasts of higher green plants. The overall process of photosynthesis consists of the oxidation of water (with the release of O2 as a product) and the reduction of CO2 to form carbohydrates. In the test tube electrons produced by the photolytic cleavage of H2) may be deviated from their true acceptor by inserting a suitable dye in the electron chain; i.e.; 2,6-dichlorophenol indophenol (DCPIP) (E'o = + 0.217 V), which is blue in the oxidized quinone form and which becomes colorless when reduced to the phenolic form. This dye-electrom acceptor also has the advantage that it accepts electroms directly from the quinone (Qa) electron-acceptor of the photosystem II< the reaction center associated with the O2-evolving (or water-slplitting) system. Based in the bleaching of DCPIP by illuminated spinach leaf chloroplasts, a classroom laboratory protocol has been developed to determine the quantum yield (QY = micromol O2 s-1 / micromol photons s-1, the quantum requirement (1/QY) and the energetic efficiency (f = chemical energy stored / light energy supplied) of the O2-evolving system of photosynthesis. Although values for the quantum yield, the quantum requirement and the energetic efficiency calculated in the classroom laboratory differ widely from those expected theoretically, these calculations are useful for illustrating the transformation of light energy into chemical energy by the chloroplasts of green plants.

METHOD AND APPARATUS FOR PRODUCING INTENSE ENERGETIC GAS DISCHARGES

DOEpatents

Bell, P.R.; Luce, J.S.

1960-01-01

A device for producing an energetic gas arc discharge employing the use of gas-fed hollow cathode and anode electrodes is reported. The rate of feed of the gas to the electrodes is regulated to cause complete space charge neutralization to occur within the electrodes. The arc discharge is closely fitted within at least one of the electrodes so tint the gas fed to this electrode is substantially completely ionized before it is emitted into the vacuum chamber. It is this electrode design and the axial potential gradient that exists in the arc which permits the arc to be operated in low pressures and at volthges and currents that permit the arc to be energetic. The use of the large number of energetic ions that are accelerated toward the cathode as a propulsion device for a space vehicle is set forth.

An Examination of Drag Reduction Mechanisms in Marine Animals, with Potential Applications to Uninhabited Aerial Vehicles

NASA Technical Reports Server (NTRS)

Musick, John A.; Patterson, Mark R.; Dowd, Wesley W.

2002-01-01

Previous engineering research and development has documented the plausibility of applying biomimetic approaches to aerospace engineering. Past cooperation between the Virginia Institute of Marine Science (VIMS) and NASA focused on the drag reduction qualities of the microscale dermal denticles of shark skin. This technology has subsequently been applied to submarines and aircraft. The present study aims to identify and document the three-dimensional geometry of additional macroscale morphologies that potentially confer drag reducing hydrodynamic qualities upon marine animals and which could be applied to enhance the range and endurance of Uninhabited Aerial Vehicles (UAVs). Such morphologies have evolved over eons to maximize organismal energetic efficiency by reducing the energetic input required to maintain cruising speeds in the viscous marine environment. These drag reduction qualities are manifested in several groups of active marine animals commonly encountered by ongoing VIMS research programs: namely sharks, bony fishes such as tunas, and sea turtles. Through spatial data acquired by molding and digital imagery analysis of marine specimens provided by VIMS, NASA aims to construct scale models of these features and to test these potential drag reduction morphologies for application to aircraft design. This report addresses the efforts of VIMS and NASA personnel on this project between January and November 2001.

Energy balance of the global photovoltaic (PV) industry--is the PV industry a net electricity producer?

PubMed

Dale, Michael; Benson, Sally M

2013-04-02

A combination of declining costs and policy measures motivated by greenhouse gas (GHG) emissions reduction and energy security have driven rapid growth in the global installed capacity of solar photovoltaics (PV). This paper develops a number of unique data sets, namely the following: calculation of distribution of global capacity factor for PV deployment; meta-analysis of energy consumption in PV system manufacture and deployment; and documentation of reduction in energetic costs of PV system production. These data are used as input into a new net energy analysis of the global PV industry, as opposed to device level analysis. In addition, the paper introduces a new concept: a model tracking energetic costs of manufacturing and installing PV systems, including balance of system (BOS) components. The model is used to forecast electrical energy requirements to scale up the PV industry and determine the electricity balance of the global PV industry to 2020. Results suggest that the industry was a net consumer of electricity as recently as 2010. However, there is a >50% that in 2012 the PV industry is a net electricity provider and will "pay back" the electrical energy required for its early growth before 2020. Further reducing energetic costs of PV deployment will enable more rapid growth of the PV industry. There is also great potential to increase the capacity factor of PV deployment. These conclusions have a number of implications for R&D and deployment, including the following: monitoring of the energy embodied within PV systems; designing more efficient and durable systems; and deploying PV systems in locations that will achieve high capacity factors.

H2O2 modulates the energetic metabolism of the cloud microbiome

NASA Astrophysics Data System (ADS)

Wirgot, Nolwenn; Vinatier, Virginie; Deguillaume, Laurent; Sancelme, Martine; Delort, Anne-Marie

2017-12-01

Chemical reactions in clouds lead to oxidation processes driven by radicals (mainly HO⚫, NO3⚫, or HO2⚫) or strong oxidants such as H2O2, O3, nitrate, and nitrite. Among those species, hydrogen peroxide plays a central role in the cloud chemistry by driving its oxidant capacity. In cloud droplets, H2O2 is transformed by microorganisms which are metabolically active. Biological activity can therefore impact the cloud oxidant capacity. The present article aims at highlighting the interactions between H2O2 and microorganisms within the cloud system. First, experiments were performed with selected strains studied as a reference isolated from clouds in microcosms designed to mimic the cloud chemical composition, including the presence of light and iron. Biotic and abiotic degradation rates of H2O2 were measured and results showed that biodegradation was the most efficient process together with the photo-Fenton process. H2O2 strongly impacted the microbial energetic state as shown by adenosine triphosphate (ATP) measurements in the presence and absence of H2O2. This ATP depletion was not due to the loss of cell viability. Secondly, correlation studies were performed based on real cloud measurements from 37 cloud samples collected at the PUY station (1465 m a.s.l., France). The results support a strong correlation between ATP and H2O2 concentrations and confirm that H2O2 modulates the energetic metabolism of the cloud microbiome. The modulation of microbial metabolism by H2O2 concentration could thus impact cloud chemistry, in particular the biotransformation rates of carbon compounds, and consequently can perturb the way the cloud system is modifying the global atmospheric chemistry.

Calorific evaluation and energy potential of grape pomace

NASA Astrophysics Data System (ADS)

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

2016-04-01

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

Interplanetary ions during an energetic storm particle event - The distribution function from solar wind thermal energies to 1.6 MeV

NASA Technical Reports Server (NTRS)

Gosling, J. T.; Asbridge, J. R.; Bame, S. J.; Feldman, W. C.; Zwickl, R. D.; Paschmann, G.; Sckopke, N.; Hynds, R. J.

1981-01-01

An ion velocity distribution function of the postshock phase of an energetic storm particle (ESP) event is obtained from data from the ISEE 2 and ISEE 3 experiments. The distribution function is roughly isotropic in the solar wind frame from solar wind thermal energies to 1.6 MeV. The ESP event studied (8/27/78) is superposed upon a more energetic particle event which was predominantly field-aligned and which was probably of solar origin. The observations suggest that the ESP population is accelerated directly out of the solar wind thermal population or its quiescent suprathermal tail by a stochastic process associated with shock wave disturbance. The acceleration mechanism is sufficiently efficient so that approximately 1% of the solar wind population is accelerated to suprathermal energies. These suprathermal particles have an energy density of approximately 290 eV cubic centimeters.

DEVICE AND METHOD FOR PRODUCING A HIGH INTENSITY ARC DISCHARGE

DOEpatents

Luce, J.S.

1960-01-01

A device is described for producing an energetic d-c carbon arc discharge between widely spaced electrodes with arc currents in excess of 100 amperes in a magnetic field of about 3000 gauss and witnin an evacuated enclo sure at a pressure of about 10/sup -5/ mm Hg. No defining electrodes are used in the device, thus essentially eliminating the problems of shorting which heretofore limited the amount of current that could be produced in an arc discharge. The energetic carbon arc discharge is sustained by the potential across the electrodes and by carbon ions and electrons released from the electrodes during arc operation. A large part of the potential drop of the arc occurs along the arc and many energetic electrons reach the anode because the arc pressure is relatively low, and few collisions occur. The carbon discharge is also an efficient ion pump.

Sensory Agreement Guides Kinetic Energy Optimization of Arm Movements during Object Manipulation.

PubMed

Farshchiansadegh, Ali; Melendez-Calderon, Alejandro; Ranganathan, Rajiv; Murphey, Todd D; Mussa-Ivaldi, Ferdinando A

2016-04-01

The laws of physics establish the energetic efficiency of our movements. In some cases, like locomotion, the mechanics of the body dominate in determining the energetically optimal course of action. In other tasks, such as manipulation, energetic costs depend critically upon the variable properties of objects in the environment. Can the brain identify and follow energy-optimal motions when these motions require moving along unfamiliar trajectories? What feedback information is required for such optimal behavior to occur? To answer these questions, we asked participants to move their dominant hand between different positions while holding a virtual mechanical system with complex dynamics (a planar double pendulum). In this task, trajectories of minimum kinetic energy were along curvilinear paths. Our findings demonstrate that participants were capable of finding the energy-optimal paths, but only when provided with veridical visual and haptic information pertaining to the object, lacking which the trajectories were executed along rectilinear paths.

Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII

PubMed Central

Kišonaitė, Miglė; Zubrienė, Asta; Čapkauskaitė, Edita; Smirnov, Alexey; Smirnovienė, Joana; Kairys, Visvaldas; Michailovienė, Vilma; Manakova, Elena; Gražulis, Saulius; Matulis, Daumantas

2014-01-01

The early stage of drug discovery is often based on selecting the highest affinity lead compound. To this end the structural and energetic characterization of the binding reaction is important. The binding energetics can be resolved into enthalpic and entropic contributions to the binding Gibbs free energy. Most compound binding reactions are coupled to the absorption or release of protons by the protein or the compound. A distinction between the observed and intrinsic parameters of the binding energetics requires the dissection of the protonation/deprotonation processes. Since only the intrinsic parameters can be correlated with molecular structural perturbations associated with complex formation, it is these parameters that are required for rational drug design. Carbonic anhydrase (CA) isoforms are important therapeutic targets to treat a range of disorders including glaucoma, obesity, epilepsy, and cancer. For effective treatment isoform-specific inhibitors are needed. In this work we investigated the binding and protonation energetics of sixteen [(2-pyrimidinylthio)acetyl]benzenesulfonamide CA inhibitors using isothermal titration calorimetry and fluorescent thermal shift assay. The compounds were built by combining four sulfonamide headgroups with four tailgroups yielding 16 compounds. Their intrinsic binding thermodynamics showed the limitations of the functional group energetic additivity approach used in fragment-based drug design, especially at the level of enthalpies and entropies of binding. Combined with high resolution crystal structural data correlations were drawn between the chemical functional groups on selected inhibitors and intrinsic thermodynamic parameters of CA-inhibitor complex formation. PMID:25493428

Isopentenyl diphosphate (IPP)-bypass mevalonate pathways for isopentenol production

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

Kang, Aram; George, Kevin W.; Wang, George

Branched C 5 alcohols are promising biofuels with excellent combustion properties. A mevalonate (MVA)-based isoprenoid biosynthetic pathway for C 5 alcohols was constructed in Escherichia coli using genes from several organisms, and the pathway was optimized to achieve over 50% theoretical yield. Although the MVA pathway is energetically less efficient than the native methylerythritol 4-phosphate (MEP) pathway, implementing the MVA pathway in bacterial hosts such as E. coli is advantageous due to its lack of endogenous regulation. The MVA and MEP pathways intersect at isopentenyl diphosphate (IPP), the direct precursor to isoprenoid-derived C 5 alcohols and initial precursor to longermore » chain terpenes, which makes independent regulation of the pathways difficult. In pursuit of the complete "decoupling" of the MVA pathway from native cellular regulation, we designed novel IPP-bypass MVA pathways for C 5 alcohol production by utilizing promiscuous activities of two enzymes, phosphomevalonate decarboxylase (PMD) and an E. coli-endogenous phosphatase (AphA). These bypass pathways have reduced energetic requirements, are further decoupled from intrinsic regulation, and are free from IPP-related toxicity. In addition to these benefits, we demonstrate that reduced aeration rate has less impact on the bypass pathway than the original MVA pathway. Finally, we showed that performance of the bypass pathway was primarily determined by the activity of PMD. We designed PMD mutants with improved activity and demonstrated titer increases in the mutant strains. These modified pathways would be a good platform for industrial production of isopentenol and related chemicals such as isoprene.« less

Isopentenyl diphosphate (IPP)-bypass mevalonate pathways for isopentenol production

DOE PAGES

Kang, Aram; George, Kevin W.; Wang, George; ...

2015-12-17

Branched C 5 alcohols are promising biofuels with excellent combustion properties. A mevalonate (MVA)-based isoprenoid biosynthetic pathway for C 5 alcohols was constructed in Escherichia coli using genes from several organisms, and the pathway was optimized to achieve over 50% theoretical yield. Although the MVA pathway is energetically less efficient than the native methylerythritol 4-phosphate (MEP) pathway, implementing the MVA pathway in bacterial hosts such as E. coli is advantageous due to its lack of endogenous regulation. The MVA and MEP pathways intersect at isopentenyl diphosphate (IPP), the direct precursor to isoprenoid-derived C 5 alcohols and initial precursor to longermore » chain terpenes, which makes independent regulation of the pathways difficult. In pursuit of the complete "decoupling" of the MVA pathway from native cellular regulation, we designed novel IPP-bypass MVA pathways for C 5 alcohol production by utilizing promiscuous activities of two enzymes, phosphomevalonate decarboxylase (PMD) and an E. coli-endogenous phosphatase (AphA). These bypass pathways have reduced energetic requirements, are further decoupled from intrinsic regulation, and are free from IPP-related toxicity. In addition to these benefits, we demonstrate that reduced aeration rate has less impact on the bypass pathway than the original MVA pathway. Finally, we showed that performance of the bypass pathway was primarily determined by the activity of PMD. We designed PMD mutants with improved activity and demonstrated titer increases in the mutant strains. These modified pathways would be a good platform for industrial production of isopentenol and related chemicals such as isoprene.« less

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

Hamann, Thomas

Dye-sensitized solar cells (DSSCs) have attracted a lot of interest as they proffer the possibility of extremely inexpensive and efficient solar energy conversion. The excellent performance of the most efficient DSSCs relies on two main features: 1) a high surface area nanoparticle semiconductor photoanode to allow for excellent light absorption with moderate extinction molecular dyes and 2) slow recombination rates from the photoanode to I 3 - allowing good charge collection. The I 3 -/I - couple, however, has some disadvantages, notably the redox potential limits the maximum open-circuit voltage, and the dye regeneration requires a large driving force whichmore » constrains the light harvesting ability. Thus, the design features that allow DSSCs to perform as well as they do also prevent further significant improvements in performance. As a consequence, the most efficient device configuration, and the maximum efficiency, has remained essentially unchanged over the last 16 years. Significant gains in performance are possible; however it will likely require a substantial paradigm shift. The general goal of this project is to understand the fundamental role of dye-sensitized solar cell, DSSC, components (sensitizer, redox shuttle, and photoanode) involved in key processes in order to overcome the kinetic and energetic constraints of current generation DSSCs. For example, the key to achieving high energy conversion efficiency DSSCs is the realization of a redox shuttle which fulfills the dual requirements of 1) efficient dye regeneration with a minimal driving force and 2) efficient charge collection. In current generation DSSCs, however, only one or the other of these requirements is met. We are currently primarily interested in understanding the physical underpinnings of the regeneration and recombination reactions. Our approach is to systematically vary the components involved in reactions and interrogate them with a series of photoelectrochemical (PEC) measurements. The lessons learned will ultimately be used to develop design rules for next generation DSSCs.« less

A light-weight compact proton gantry design with a novel dose delivery system for broad-energetic laser-accelerated beams

NASA Astrophysics Data System (ADS)

Masood, U.; Cowan, T. E.; Enghardt, W.; Hofmann, K. M.; Karsch, L.; Kroll, F.; Schramm, U.; Wilkens, J. J.; Pawelke, J.

2017-07-01

Proton beams may provide superior dose-conformity in radiation therapy. However, the large sizes and costs limit the widespread use of proton therapy (PT). The recent progress in proton acceleration via high-power laser systems has made it a compelling alternative to conventional accelerators, as it could potentially reduce the overall size and cost of the PT facilities. However, the laser-accelerated beams exhibit different characteristics than conventionally accelerated beams, i.e. very intense proton bunches with large divergences and broad-energy spectra. For the application of laser-driven beams in PT, new solutions for beam transport, such as beam capture, integrated energy selection, beam shaping and delivery systems are required due to the specific beam parameters. The generation of these beams are limited by the low repetition rate of high-power lasers and this limitation would require alternative solutions for tumour irradiation which can efficiently utilize the available high proton fluence and broad-energy spectra per proton bunch to keep treatment times short. This demands new dose delivery system and irradiation field formation schemes. In this paper, we present a multi-functional light-weight and compact proton gantry design for laser-driven sources based on iron-less pulsed high-field magnets. This achromatic design includes improved beam capturing and energy selection systems, with a novel beam shaping and dose delivery system, so-called ELPIS. ELPIS system utilizes magnetic fields, instead of physical scatterers, for broadening the spot-size of broad-energetic beams while capable of simultaneously scanning them in lateral directions. To investigate the clinical feasibility of this gantry design, we conducted a treatment planning study with a 3D treatment planning system augmented for the pulsed beams with optimizable broad-energetic widths and selectable beam spot sizes. High quality treatment plans could be achieved with such unconventional beam parameters, deliverable via the presented gantry and ELPIS dose delivery system. The conventional PT gantries are huge and require large space for the gantry to rotate the beam around the patient, which could be reduced up to 4 times with the presented pulse powered gantry system. The further developments in the next generation petawatt laser systems and laser-targets are crucial to reach higher proton energies. However, if proton energies required for therapy applications are reached it could be possible in future to reduce the footprint of the PT facilities, without compromising on clinical standards.

A light-weight compact proton gantry design with a novel dose delivery system for broad-energetic laser-accelerated beams.

PubMed

Masood, U; Cowan, T E; Enghardt, W; Hofmann, K M; Karsch, L; Kroll, F; Schramm, U; Wilkens, J J; Pawelke, J

2017-07-07

Proton beams may provide superior dose-conformity in radiation therapy. However, the large sizes and costs limit the widespread use of proton therapy (PT). The recent progress in proton acceleration via high-power laser systems has made it a compelling alternative to conventional accelerators, as it could potentially reduce the overall size and cost of the PT facilities. However, the laser-accelerated beams exhibit different characteristics than conventionally accelerated beams, i.e. very intense proton bunches with large divergences and broad-energy spectra. For the application of laser-driven beams in PT, new solutions for beam transport, such as beam capture, integrated energy selection, beam shaping and delivery systems are required due to the specific beam parameters. The generation of these beams are limited by the low repetition rate of high-power lasers and this limitation would require alternative solutions for tumour irradiation which can efficiently utilize the available high proton fluence and broad-energy spectra per proton bunch to keep treatment times short. This demands new dose delivery system and irradiation field formation schemes. In this paper, we present a multi-functional light-weight and compact proton gantry design for laser-driven sources based on iron-less pulsed high-field magnets. This achromatic design includes improved beam capturing and energy selection systems, with a novel beam shaping and dose delivery system, so-called ELPIS. ELPIS system utilizes magnetic fields, instead of physical scatterers, for broadening the spot-size of broad-energetic beams while capable of simultaneously scanning them in lateral directions. To investigate the clinical feasibility of this gantry design, we conducted a treatment planning study with a 3D treatment planning system augmented for the pulsed beams with optimizable broad-energetic widths and selectable beam spot sizes. High quality treatment plans could be achieved with such unconventional beam parameters, deliverable via the presented gantry and ELPIS dose delivery system. The conventional PT gantries are huge and require large space for the gantry to rotate the beam around the patient, which could be reduced up to 4 times with the presented pulse powered gantry system. The further developments in the next generation petawatt laser systems and laser-targets are crucial to reach higher proton energies. However, if proton energies required for therapy applications are reached it could be possible in future to reduce the footprint of the PT facilities, without compromising on clinical standards.

“Straining” to Separate the Rare Earths: How the Lanthanide Contraction Impacts Chelation by Diglycolamide Ligands

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

Ellis, Ross J.; Brigham, Derek M.; Delmau, Laetitia

The subtle energetic differences underpinning adjacent lanthanide discrimination are explored with diglycolamide ligands. Our approach converges liquid–liquid extraction experiments with solution-phase X-ray absorption spectroscopy (XAS) and density functional theory (DFT) simulations, spanning the lanthanide series. The homoleptic [(DGA)3Ln]3+ complex was confirmed in the organic extractive solution by XAS, and this was modeled using DFT. An interplay between steric strain and coordination energies apparently gives rise to a nonlinear trend in discriminatory lanthanide ion complexation across the series. Our results highlight the importance of optimizing chelate molecular geometry to account for both coordination interactions and strain energies when designing new ligandsmore » for efficient adjacent lanthanide separation for rare-earth refining.« less

“Straining” to Separate the Rare Earths: How the Lanthanide Contraction Impacts Chelation by Diglycolamide Ligands

DOE PAGES

Ellis, Ross J.; Brigham, Derek M.; Delmau, Laetitia; ...

2016-11-23

The subtle energetic differences underpinning adjacent lanthanide discrimination are explored with diglycolamide ligands. Our approach converges liquid–liquid extraction experiments with solution-phase X-ray absorption spectroscopy (XAS) and density functional theory (DFT) simulations, spanning the lanthanide series. The homoleptic [(DGA)3Ln]3+ complex was confirmed in the organic extractive solution by XAS, and this was modeled using DFT. An interplay between steric strain and coordination energies apparently gives rise to a nonlinear trend in discriminatory lanthanide ion complexation across the series. Our results highlight the importance of optimizing chelate molecular geometry to account for both coordination interactions and strain energies when designing new ligandsmore » for efficient adjacent lanthanide separation for rare-earth refining.« less

Rational Design of Zinc Phosphide Heterojunction Photovoltaics

NASA Astrophysics Data System (ADS)

Bosco, Jeffrey Paul

The prospect of terawatt-scale electricity generation using a photovoltaic (PV) device places strict requirements on the active semiconductor optoelectronic properties and elemental abundance. After reviewing the constraints placed on an ``earth-abundant'' solar absorber, we find zinc phosphide (α-Zn 3P2) to be an ideal candidate. In addition to its near-optimal direct band gap of 1.5 eV, high visible-light absorption coefficient (>10. 4cm-1), and long minority-carrier diffusion length (>5 μm), Zn3P 2 is composed of abundant Zn and P elements and has excellent physical properties for scalable thin-film deposition. However, to date, a Zn 3P2 device of sufficient efficiency for commercial applications has not been demonstrated. Record efficiencies of 6.0% for multicrystalline and 4.3% for thin-film cells have been reported, respectively. Performance has been limited by the intrinsic p-type conductivity of Zn3P 2 which restricts us to Schottky and heterojunction device designs. Due to our poor understanding of Zn3P2 interfaces, an ideal heterojunction partner has not yet been found. The goal of this thesis is to explore the upper limit of solar conversion efficiency achievable with a Zn3P2 absorber through the design of an optimal heterojunction PV device. To do so, we investigate three key aspects of material growth, interface energetics, and device design. First, the growth of Zn3P2 on GaAs(001) is studied using compound-source molecular-beam epitaxy (MBE). We successfully demonstrate the pseudomorphic growth of Zn3P2 epilayers of controlled orientation and optoelectronic properties. Next, the energy-band alignments of epitaxial Zn3P2 and II-VI and III-V semiconductor interfaces are measured via high-resolution x-ray photoelectron spectroscopy in order to determine the most appropriate heterojunction partner. From this work, we identify ZnSe as a nearly ideal n-type emitter for a Zn3P 2 PV device. Finally, various II-VI/Zn3P2 heterojunction solar cells designs are fabricated, including substrate and superstrate architectures, and evaluated based on their solar conversion efficiency.

Decomposition of energetic molecules by interfacing with a catalytic oxide: opportunities and challenges

NASA Astrophysics Data System (ADS)

Wang, Fenggong; Tsyshevsky, Roman; Zverev, Anton; Mitrofanov, Anatoly; Kuklja, Maija

Organic-inorganic interfaces provide both intrigues and opportunities for designing systems that possess properties and functionalities inaccessible by each individual component. In particular, mixing with a photocatalyst may significantly affect the adsorption, decomposition, and photoresponse of organic molecules. Here, we choose the formulation of TiO2 and trinitrotoluene (TNT), a highly catalytic oxide and a prominent explosive, as a prototypical example to explore the interaction at the interface on the photosensitivity of energetic materials. We show that, whether or not a catalytic oxide additive can help molecular decompositions under light illumination depends largely on the band alignment between the oxide surface and the energetic molecule. Furthermore, an oxygen vacancy can lead to the electron density transfer from the surface to the energetic molecules, causing an enhancement of the bonding between molecules and surface and a reduction of the molecular decomposition activation barriers.

A rocket-borne airglow photometer

NASA Technical Reports Server (NTRS)

Paarmann, L. D.; Smith, L. G.

1977-01-01

The design of a rocket-borne photometer to measure the airglow emission of ionized molecular nitrogen in the 391.4 nm band is presented. This airglow is a well known and often observed phenomenon of auroras, where the principal source of ionization is energetic electrons. It is believed that at some midlatitude locations energetic electrons are also a source of nighttime ionization in the E region of the ionosphere. If this is so, then significant levels of 391.4 nm airglow should be present. The intensity of this airglow will be measured in a rocket payload which also contains instrumentation to measured in a rocket payload which also contains instrumentation to measure energetic electron differential flux and the ambient electron density. An intercomparison of the 3 experiments in a nightime launch will allow a test of the importance of energetic electrons as a nighttime source of ionization in the upper E region.

Plasmonic hot carrier dynamics in solid-state and chemical systems for energy conversion

DOE PAGES

Narang, Prineha; Sundararaman, Ravishankar; Atwater, Harry A.

2016-06-11

Surface plasmons provide a pathway to efficiently absorb and confine light in metallic nanostructures, thereby bridging photonics to the nano scale. The decay of surface plasmons generates energetic ‘hot’ carriers, which can drive chemical reactions or be injected into semiconductors for nano-scale photochemical or photovoltaic energy conversion. Novel plasmonic hot carrier devices and architectures continue to be demonstrated, but the complexity of the underlying processes make a complete microscopic understanding of all the mechanisms and design considerations for such devices extremely challenging.Here,we review the theoretical and computational efforts to understand and model plasmonic hot carrier devices.We split the problem intomore » three steps: hot carrier generation, transport and collection, and review theoretical approaches with the appropriate level of detail for each step along with their predictions. As a result, we identify the key advances necessary to complete the microscopic mechanistic picture and facilitate the design of the next generation of devices and materials for plasmonic energy conversion.« less

High-Energy-Density LCA-Coupled Structural Energetic Materials for Counter WMD Applications

DTIC Science & Technology

2014-04-01

reactive ( thermite ) fillers as high-energy-density structural energetic materials. The specific objectives include performing fundamental studies to...a) investigate mechanics of dynamic densification and reaction initiation in Ta+Fe2O3 and Ta+Bi2O3 thermite powder mixtures and to (b) design and...initiation in the thermite filler and allow controlled fragmentation. Linear Cellular A; counter WMDs; shock-compression and impact-initiated reactions

Enabling High Fidelity Measurements of Energy and Pitch Angle for Escaping Energetic Ions with a Fast Ion Loss Detector

NASA Astrophysics Data System (ADS)

Chaban, R.; Pace, D. C.; Marcy, G. R.; Taussig, D.

2016-10-01

Energetic ion losses must be minimized in burning plasmas to maintain fusion power, and existing tokamaks provide access to energetic ion parameter regimes that are relevant to burning machines. A new Fast Ion Loss Detector (FILD) probe on the DIII-D tokamak has been optimized to resolve beam ion losses across a range of 30 - 90 keV in energy and 40° to 80° in pitch angle, thereby providing valuable measurements during many different experiments. The FILD is a magnetic spectrometer; once inserted into the tokamak, the magnetic field allows energetic ions to pass through a collimating aperture and strike a scintillator plate that is imaged by a wide view camera and narrow view photomultiplier tubes (PMTs). The design involves calculating scintillator strike patterns while varying probe geometry. Calculated scintillator patterns are then used to design an optical system that allows adjustment of the focus regions for the 1 MS/s resolved PMTs. A synthetic diagnostic will be used to determine the energy and pitch angle resolution that can be attained in DIII-D experiments. Work supported in part by US DOE under the Science Undergraduate Laboratory Internship (SULI) program and under DE-FC02-04ER54698.

Design of a shape-memory alloy actuated macro-scale morphing aircraft mechanism

NASA Astrophysics Data System (ADS)

Manzo, Justin; Garcia, Ephrahim; Wickenheiser, Adam; Horner, Garnett C.

2005-05-01

As more alternative, lightweight actuators have become available, the conventional fixed-wing configuration seen on modern aircraft is under investigation for efficiency on a broad scale. If an aircraft could be designed with multiple functional equilibria of drastically varying aerodynamic parameters, one craft capable of 'morphing' its shape could be used to replace two or three designed with particular intentions. One proposed shape for large-scale (geometry change on the same order of magnitude as wingspan) morphing is the Hyper-Elliptical Cambered Span (HECS) wing, designed at NASA Langley to be implemented on an unmanned aerial vehicle (UAV). Proposed mechanisms to accomplish the spanwise curvature (in the y-z plane of the craft) that allow near-continuous bending of the wing are narrowed to a tendon-based DC motor actuated system, and a shape memory alloy-based (SMA) mechanism. At Cornell, simulations and wind tunnel experiments assess the validity of the HECS wing as a potential shape for a blended-wing body craft with the potential to effectively serve the needs of two conventional UAVs, and analyze the energetics of actuation associated with a morphing maneuver accomplished with both a DC motor and SMA wire.

Molecular design and property prediction of high density polynitro[3.3.3]-propellane-derivatized frameworks as potential high explosives.

PubMed

Zhang, Qinghua; Zhang, Jiaheng; Qi, Xiujuan; Shreeve, Jean'ne M

2014-11-13

Research in energetic materials is now heavily focused on the design and synthesis of novel insensitive high explosives (IHEs) for specialized applications. As an effective and time-saving tool for screening potential explosive structures, computer simulation has been widely used for the prediction of detonation properties of energetic molecules with relatively high precision. In this work, a series of new polynitrotetraoxopentaaza[3.3.3]-propellane molecules with tricyclic structures were designed. Their properties as potential high explosives including density, heats of formation, detonation properties, impact sensitivity, etc., have been extensively evaluated using volume-based thermodynamic calculations and density functional theory (DFT).These new energetic molecules exhibit high densities of >1.82 g cm(-3), in which 1 gives the highest density of 2.04 g cm(-3). Moreover, most new materials show good detonation properties and acceptable impact sensitivities, in which 5 displays much higher detonation velocity (9482 m s(-1)) and pressure (43.9 GPa) than HMX and has a h50 value of 11 cm. These results are expected to facilitate the experimental synthesis of new-generation nitramine-based high explosives.

Excitonic transitions in highly efficient (GaIn)As/Ga(AsSb) type-II quantum-well structures

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

Gies, S.; Kruska, C.; Berger, C.

2015-11-02

The excitonic transitions of the type-II (GaIn)As/Ga(AsSb) gain medium of a “W”-laser structure are characterized experimentally by modulation spectroscopy and analyzed using microscopic quantum theory. On the basis of the very good agreement between the measured and calculated photoreflectivity, the type-I or type-II character of the observable excitonic transitions is identified. Whereas the energetically lowest three transitions exhibit type-II character, the subsequent energetically higher transitions possess type-I character with much stronger dipole moments. Despite the type-II character, the quantum-well structure exhibits a bright luminescence.

Large-scale outflows in luminous QSOs revisited. The impact of beam smearing on AGN feedback efficiencies

NASA Astrophysics Data System (ADS)

Husemann, B.; Scharwächter, J.; Bennert, V. N.; Mainieri, V.; Woo, J.-H.; Kakkad, D.

2016-10-01

Context. Feedback from active galactic nuclei (AGN) is thought to play an important role in quenching star formation in galaxies. However, the efficiency with which AGN dissipate their radiative energy into the ambient medium remains strongly debated. Aims: Enormous observational efforts have been made to constrain the energetics of AGN feedback by mapping the kinematics of the ionized gas on kpc scale. We study how the observed kinematics and inferred energetics are affected by beam smearing of a bright unresolved narrow-line region (NLR) due to seeing. Methods: We re-analyse optical integral-field spectroscopy of a sample of twelve luminous unobscured quasi-stellar objects (QSOs) (0.4

Experimental model of a wind energy conversion system

NASA Astrophysics Data System (ADS)

Vasar, C.; Rat, C. L.; Prostean, O.

2018-01-01

The renewable energy domain represents an important issue for the sustainable development of the mankind in the actual context of increasing demand for energy along with the increasing pollution that affect the environment. A significant quota of the clean energy is represented by the wind energy. As a consequence, the developing of wind energy conversion systems (WECS) in order to achieve high energetic performances (efficiency, stability, availability, competitive cost etc) represents a topic of permanent actuality. Testing and developing of an optimized control strategy for a WECS direct implemented on a real energetic site is quite difficult and not cost efficient. Thus a more convenient solution consists in a flexible laboratory setup which requires an experimental model of a WECS. Such approach would allow the simulation of various real conditions very similar with existing energetic sites. This paper presents a grid-connected wind turbine emulator. The wind turbine is implemented through a real-time Hardware-in-the-Loop (HIL) emulator, which will be analyzed extensively in the paper. The HIL system uses software implemented in the LabVIEW programming environment to control an ABB ACS800 electric drive. ACS800 has the task of driving an induction machine coupled to a permanent magnet synchronous generator. The power obtained from the synchronous generator is rectified, filtered and sent to the main grid through a controlled inverter. The control strategy is implemented on a NI CompactRIO (cRIO) platform.

The “Puck” energetic charged particle detector: Design, heritage, and advancements

PubMed Central

Cohen, I.; Westlake, J. H.; Andrews, G. B.; Brandt, P.; Gold, R. E.; Gkioulidou, M. A.; Hacala, R.; Haggerty, D.; Hill, M. E.; Ho, G. C.; Jaskulek, S. E.; Kollmann, P.; Mauk, B. H.; McNutt, R. L.; Mitchell, D. G.; Nelson, K. S.; Paranicas, C.; Paschalidis, N.; Schlemm, C. E.

2016-01-01

Abstract Energetic charged particle detectors characterize a portion of the plasma distribution function that plays critical roles in some physical processes, from carrying the currents in planetary ring currents to weathering the surfaces of planetary objects. For several low‐resource missions in the past, the need was recognized for a low‐resource but highly capable, mass‐species‐discriminating energetic particle sensor that could also obtain angular distributions without motors or mechanical articulation. This need led to the development of a compact Energetic Particle Detector (EPD), known as the “Puck” EPD (short for hockey puck), that is capable of determining the flux, angular distribution, and composition of incident ions between an energy range of ~10 keV to several MeV. This sensor makes simultaneous angular measurements of electron fluxes from the tens of keV to about 1 MeV. The same measurements can be extended down to approximately 1 keV/nucleon, with some composition ambiguity. These sensors have a proven flight heritage record that includes missions such as MErcury Surface, Space ENvironment, GEochemistry, and Ranging and New Horizons, with multiple sensors on each of Juno, Van Allen Probes, and Magnetospheric Multiscale. In this review paper we discuss the Puck EPD design, its heritage, unexpected results from these past missions and future advancements. We also discuss high‐voltage anomalies that are thought to be associated with the use of curved foils, which is a new foil manufacturing processes utilized on recent Puck EPD designs. Finally, we discuss the important role Puck EPDs can potentially play in upcoming missions. PMID:27867799

The "Puck" energetic charged particle detector: Design, heritage, and advancements.

PubMed

Clark, G; Cohen, I; Westlake, J H; Andrews, G B; Brandt, P; Gold, R E; Gkioulidou, M A; Hacala, R; Haggerty, D; Hill, M E; Ho, G C; Jaskulek, S E; Kollmann, P; Mauk, B H; McNutt, R L; Mitchell, D G; Nelson, K S; Paranicas, C; Paschalidis, N; Schlemm, C E

2016-08-01

Energetic charged particle detectors characterize a portion of the plasma distribution function that plays critical roles in some physical processes, from carrying the currents in planetary ring currents to weathering the surfaces of planetary objects. For several low-resource missions in the past, the need was recognized for a low-resource but highly capable, mass-species-discriminating energetic particle sensor that could also obtain angular distributions without motors or mechanical articulation. This need led to the development of a compact Energetic Particle Detector (EPD), known as the "Puck" EPD (short for hockey puck), that is capable of determining the flux, angular distribution, and composition of incident ions between an energy range of ~10 keV to several MeV. This sensor makes simultaneous angular measurements of electron fluxes from the tens of keV to about 1 MeV. The same measurements can be extended down to approximately 1 keV/nucleon, with some composition ambiguity. These sensors have a proven flight heritage record that includes missions such as MErcury Surface, Space ENvironment, GEochemistry, and Ranging and New Horizons, with multiple sensors on each of Juno, Van Allen Probes, and Magnetospheric Multiscale. In this review paper we discuss the Puck EPD design, its heritage, unexpected results from these past missions and future advancements. We also discuss high-voltage anomalies that are thought to be associated with the use of curved foils, which is a new foil manufacturing processes utilized on recent Puck EPD designs. Finally, we discuss the important role Puck EPDs can potentially play in upcoming missions.

The "Puck" Energetic Charged Particle Detector: Design, Heritage, and Advancements

NASA Technical Reports Server (NTRS)

Clark, G.; Cohen, I.; Westlake, J. H.; Andrews, G. B.; Brandt, P.; Gold, R. E.; Gkioulidou, M. A.; Hacala, R.; Haggerty, D.; Hill, M. E.;

The Efficiency of Different Salts to Screen Charge Interactions in Proteins: A Hofmeister Effect?

PubMed Central

Perez-Jimenez, Raul; Godoy-Ruiz, Raquel; Ibarra-Molero, Beatriz; Sanchez-Ruiz, Jose M.

2004-01-01

Understanding the screening by salts of charge-charge interactions in proteins is important for at least two reasons: a), screening by intracellular salt concentration may modulate the stability and interactions of proteins in vivo; and b), the in vitro experimental estimation of the contributions from charge-charge interactions to molecular processes involving proteins is generally carried out on the basis of the salt effect on process energetics, under the assumption that these interactions are screened out by moderate salt concentrations. Here, we explore experimentally the extent to which the screening efficiency depends on the nature of the salt. To this end, we have carried out an energetic characterization of the effect of NaCl (a nondenaturing salt), guanidinium chloride (a denaturing salt), and guanidinium thiocyanate (a stronger denaturant) on the stability of the wild-type form and a T14K variant of Escherichia coli thioredoxin. Our results suggest that the efficiency of different salts to screen charge-charge interactions correlates with their denaturing strength and with the position of the constituent ions in the Hofmeister rankings. This result appears consistent with the plausible relation of the Hofmeister rankings with the extent of solute accumulation/exclusion from protein surfaces. PMID:15041679

Toward a Modular Ionic Liquid Platform for the Custom Design of Energetic Materials: Understanding How the Dual Nature of Ionic Liquids Relates Key Physical Properties to Target Structures

DTIC Science & Technology

2009-11-30

cations were obtained and isolated with a diverse group of azolate anions including nitro- substituted benzotriazolate, benzimidazolate , 1,2,4-triazolate... benzimidazolate , or benzotrizolate) have received much less attention than those containing azolium cations, although more results are now starting to...phosphonium cations combined with energetically-substituted tetrazolate, triazolate, imidazolate, benzimidazolate , and benzotriazolate anions (Figure

Nuclear fusion driven by Coulomb explosion of homonuclear and heteronuclear deuterium- and tritium-containing clusters

NASA Astrophysics Data System (ADS)

Last, Isidore; Jortner, Joshua

2001-12-01

The ionization and Coulomb explosion of homonuclear Dn and Tn (n=959-8007) and heteronuclear (D2O)n and (T2O)n (n=459-2171) clusters in very intense (I=5×1014-5×1018 W cm-2) laser fields is studied using classical dynamics simulations. The efficiency of the d+d and d+t nuclear fusion driven by the Coulomb explosion (NFDCE) is explored. The d+d NFDCE of (D2O)n heteronuclear clusters is enhanced by energetic and kinematic effects for D+, while for (T2O)n heteronuclear clusters the kinetic energy of T+ is dominated by energetic effects. The cluster size dependence of the fusion reaction yield has been established. The heteronuclear clusters provide considerably higher d+d and d+t fusion reaction yields than the homonuclear clusters of the same size. The clusters consisting of both D and T atoms can provide highly efficient d+t fusion reactions.

Role of sufficient statistics in stochastic thermodynamics and its implication to sensory adaptation

NASA Astrophysics Data System (ADS)

Matsumoto, Takumi; Sagawa, Takahiro

2018-04-01

A sufficient statistic is a significant concept in statistics, which means a probability variable that has sufficient information required for an inference task. We investigate the roles of sufficient statistics and related quantities in stochastic thermodynamics. Specifically, we prove that for general continuous-time bipartite networks, the existence of a sufficient statistic implies that an informational quantity called the sensory capacity takes the maximum. Since the maximal sensory capacity imposes a constraint that the energetic efficiency cannot exceed one-half, our result implies that the existence of a sufficient statistic is inevitably accompanied by energetic dissipation. We also show that, in a particular parameter region of linear Langevin systems there exists the optimal noise intensity at which the sensory capacity, the information-thermodynamic efficiency, and the total entropy production are optimized at the same time. We apply our general result to a model of sensory adaptation of E. coli and find that the sensory capacity is nearly maximal with experimentally realistic parameters.

Synchronous activity lowers the energetic cost of nest escape for sea turtle hatchlings.

PubMed

Rusli, Mohd Uzair; Booth, David T; Joseph, Juanita

2016-05-15

A potential advantage of group movement in animals is increased locomotion efficiency. This implies a reduced energetic cost for individuals that occur in larger groups such as herds, flocks and schools. When chelonian hatchlings hatch in the underground nest with finite energy for their post-hatching dispersal phase, they face the challenge of minimizing energetic expenditure while escaping the nest. The term 'social facilitation' has been used to describe the combined digging effort of sea turtle hatchlings during nest escape. Given that in a normal clutch, a substantial part of the energy reserve within the residual yolk is used by hatchlings in the digging out process, a decreased cohort size may reduce the energy reserve available to cross the beach and sustain the initial swimming frenzy. This hypothesis was experimentally tested by varying cohort size in hatchling green turtles (Chelonia mydas) and measuring energy expenditure during the nest escape process using open-flow respirometry. The energetic cost of escaping through 40 cm of sand was calculated to vary between 4.4 and 28.3 kJ per individual, the cost decreasing as the number of individuals in the cohort increased. This represents 11-68% of the energy contained in a hatchling's residual yolk at hatching. The reduced energetic cost associated with large cohorts resulted from both a lower metabolic rate per individual and a shortened nest escape time. We conclude that synchronous digging activity of many hatchlings during nest escape evolved not only to facilitate rapid nest emergence but also to reduce the energetic cost to individuals. © 2016. Published by The Company of Biologists Ltd.

Energetic Optimisation of Foraging Honeybees: Flexible Change of Strategies in Response to Environmental Challenges

PubMed Central

Stabentheiner, Anton; Kovac, Helmut

2014-01-01

Heterothermic insects like honeybees, foraging in a variable environment, face the challenge of keeping their body temperature high to enable immediate flight and to promote fast exploitation of resources. Because of their small size they have to cope with an enormous heat loss and, therefore, high costs of thermoregulation. This calls for energetic optimisation which may be achieved by different strategies. An ‘economizing’ strategy would be to reduce energetic investment whenever possible, for example by using external heat from the sun for thermoregulation. An ‘investment-guided’ strategy, by contrast, would be to invest additional heat production or external heat gain to optimize physiological parameters like body temperature which promise increased energetic returns. Here we show how honeybees balance these strategies in response to changes of their local microclimate. In a novel approach of simultaneous measurement of respiration and body temperature foragers displayed a flexible strategy of thermoregulatory and energetic management. While foraging in shade on an artificial flower they did not save energy with increasing ambient temperature as expected but acted according to an ‘investment-guided’ strategy, keeping the energy turnover at a high level (∼56–69 mW). This increased thorax temperature and speeded up foraging as ambient temperature increased. Solar heat was invested to increase thorax temperature at low ambient temperature (‘investment-guided’ strategy) but to save energy at high temperature (‘economizing’ strategy), leading to energy savings per stay of ∼18–76% in sunshine. This flexible economic strategy minimized costs of foraging, and optimized energetic efficiency in response to broad variation of environmental conditions. PMID:25162211

Long-lasting injection of solar energetic electrons into the heliosphere

NASA Astrophysics Data System (ADS)

Dresing, N.; Gómez-Herrero, R.; Heber, B.; Klassen, A.; Temmer, M.; Veronig, A.

2018-05-01

Context. The main sources of solar energetic particle (SEP) events are solar flares and shocks driven by coronal mass ejections (CMEs). While it is generally accepted that energetic protons can be accelerated by shocks, whether or not these shocks can also efficiently accelerate solar energetic electrons is still debated. In this study we present observations of the extremely widespread SEP event of 26 Dec 2013 To the knowledge of the authors, this is the widest longitudinal SEP distribution ever observed together with unusually long-lasting energetic electron anisotropies at all observer positions. Further striking features of the event are long-lasting SEP intensity increases, two distinct SEP components with the second component mainly consisting of high-energy particles, a complex associated coronal activity including a pronounced signature of a shock in radio type-II observations, and the interaction of two CMEs early in the event. Aims: The observations require a prolonged injection scenario not only for protons but also for electrons. We therefore analyze the data comprehensively to characterize the possible role of the shock for the electron event. Methods: Remote-sensing observations of the complex solar activity are combined with in situ measurements of the particle event. We also apply a graduated cylindrical shell (GCS) model to the coronagraph observations of the two associated CMEs to analyze their interaction. Results: We find that the shock alone is likely not responsible for this extremely wide SEP event. Therefore we propose a scenario of trapped energetic particles inside the CME-CME interaction region which undergo further acceleration due to the shock propagating through this region, stochastic acceleration, or ongoing reconnection processes inside the interaction region. The origin of the second component of the SEP event is likely caused by a sudden opening of the particle trap.

Rise of nano effects in electrode during electrocatalytic CO2 conversion.

PubMed

Yang, Ki Dong; Lee, Chan Woo; Jang, Jun Ho; Ha, Tak Rae; Nam, Ki Tae

2017-09-01

The electrocatalytic conversion of CO 2 into value-added fuels has received increasing attention as a promising way to mitigate the atmospheric CO 2 concentration and close the broken carbon-cycle. Early studies, focused on polycrystalline metal electrodes, outlined in detail the overall trends in the catalytic activity and product selectivity of pure metals; however, several inherent limitations were found, such as low current density and high overpotential, which hindered electrocatalytic CO 2 reduction from practical application. Fortunately, the recent development of precisely synthesized nanocatalysts has led to several breakthroughs in catalytic CO 2 conversion. By carefully controlling the thermodynamic adsorption energies and flow dynamics of reaction intermediates, nanosized electrocatalysts afford more versatile and energetically efficient routes to convert CO 2 into desired chemicals. In this article, we review the state-of-the-art nanocatalysts applied for CO 2 conversion and discuss newly found phenomena at the local environment near the catalyst surface. The mechanistic understanding of these findings can provide insight into the future design of catalysts for the efficient and selective reduction of CO 2 .

Energo- and exergo-technical assessment of ground-source heat pump systems for geothermal energy production from underground mines.

PubMed

Amiri, Leyla; Madadian, Edris; Hassani, Ferri P

2018-06-08

The objective of this study is to perform the energy and exergy analysis of an integrated ground-source heat pump (GSHP) system, along with technical assessment, for geothermal energy production by deployment of Engineering Equation Solver (EES). The system comprises heat pump cycle and ground heat exchanger for extracting geothermal energy from underground mine water. A simultaneous energy and exergy analysis of the system is brought off. These analyses provided persuasive outcomes due to the use of an economic and green source of energy. The energetic coefficient of performance (COP) of the entire system is 2.33 and the exergy efficiency of the system is 28.6%. The exergetic efficiencies of the compressor, ground heat exchanger, evaporator, expansion valve, condenser and fan are computed to be 38%, 42%, 53%, 55%, 60% and 64%, respectively. In the numerical investigation, different alteration such as changing the temperature and pressure of the condenser show promising potential for further application of GSHPs. The outcomes of this research can be used for developing and designing novel coupled heat and power systems.

Amorphous oxide alloys as interfacial layers with broadly tunable electronic structures for organic photovoltaic cells

PubMed Central

Zhou, Nanjia; Kim, Myung-Gil; Loser, Stephen; Smith, Jeremy; Yoshida, Hiroyuki; Guo, Xugang; Song, Charles; Jin, Hosub; Chen, Zhihua; Yoon, Seok Min; Freeman, Arthur J.; Chang, Robert P. H.; Facchetti, Antonio; Marks, Tobin J.

2015-01-01

In diverse classes of organic optoelectronic devices, controlling charge injection, extraction, and blocking across organic semiconductor–inorganic electrode interfaces is crucial for enhancing quantum efficiency and output voltage. To this end, the strategy of inserting engineered interfacial layers (IFLs) between electrical contacts and organic semiconductors has significantly advanced organic light-emitting diode and organic thin film transistor performance. For organic photovoltaic (OPV) devices, an electronically flexible IFL design strategy to incrementally tune energy level matching between the inorganic electrode system and the organic photoactive components without varying the surface chemistry would permit OPV cells to adapt to ever-changing generations of photoactive materials. Here we report the implementation of chemically/environmentally robust, low-temperature solution-processed amorphous transparent semiconducting oxide alloys, In-Ga-O and Ga-Zn-Sn-O, as IFLs for inverted OPVs. Continuous variation of the IFL compositions tunes the conduction band minima over a broad range, affording optimized OPV power conversion efficiencies for multiple classes of organic active layer materials and establishing clear correlations between IFL/photoactive layer energetics and device performance. PMID:26080437

Effect of Donor Strength and Bulk on Thieno[3,4-b]-pyrazine-Based Panchromatic Dyes in Dye-Sensitized Solar Cells.

PubMed

Liyanage, Nalaka P; Cheema, Hammad; Baumann, Alexandra R; Zylstra, Alexa R; Delcamp, Jared H

2017-06-22

Near-infrared-absorbing organic dyes are critically needed in dye-sensitized solar cells (DSCs). Thieno[3,4-b]pyrazine (TPz) based dyes can access the NIR spectral region and show power conversion efficiencies (PCEs) of up to 8.1 % with sunlight being converted at wavelengths up to 800 nm for 17.6 mA cm -2 of photocurrent in a co-sensitized DSC device. Precisely controlling dye excited-state energies is critical for good performances in NIR DSCs. Strategies to control TPz dye energetics with stronger donor groups and TPz substituent choice are evaluated here. Additionally, donor size influence versus dye loading on TPz dyes is analyzed with respect to the TiO 2 surface protection designed to prevent recombination of electrons in TiO 2 with the redox shuttle. Importantly, the dyes evaluated were demonstrated to work well with low Li + concentration electrolytes, with iodine and cobalt redox shuttle systems, and efficiently as part of co-sensitized devices. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Amorphous oxide alloys as interfacial layers with broadly tunable electronic structures for organic photovoltaic cells

DOE PAGES

Zhou, Nanjia; Kim, Myung -Gil; Loser, Stephen; ...

2015-06-15

In diverse classes of organic optoelectronic devices, controlling charge injection, extraction, and blocking across organic semiconductor– inorganic electrode interfaces is crucial for enhancing quantum efficiency and output voltage. To this end, the strategy of inserting engineered interfacial layers (IFLs) between electrical contacts and organic semiconductors has significantly advanced organic light-emitting diode and organic thin film transistor performance. For organic photovoltaic (OPV) devices, an electronically flexible IFL design strategy to incrementally tune energy level matching between the inorganic electrode system and the organic photoactive components without varying the surface chemistry would permit OPV cells to adapt to ever-changing generations of photoactivemore » materials. Here we report the implementation of chemically/environmentally robust, low-temperature solution-processed amorphous transparent semiconducting oxide alloys, In-Ga-O and Ga-Zn-Sn-O, as IFLs for inverted OPVs. Lastly, continuous variation of the IFL compositions tunes the conduction band minima over a broad range, affording optimized OPV power conversion efficiencies for multiple classes of organic active layer materials and establishing clear correlations between IFL/photoactive layer energetics and device performance.« less

Solar Light Photocatalytic CO2 Reduction: General Considerations and Selected Bench-Mark Photocatalysts

PubMed Central

Neaţu, Ştefan; Maciá-Agulló, Juan Antonio; Garcia, Hermenegildo

2014-01-01

The reduction of carbon dioxide to useful chemicals has received a great deal of attention as an alternative to the depletion of fossil resources without altering the atmospheric CO2 balance. As the chemical reduction of CO2 is energetically uphill due to its remarkable thermodynamic stability, this process requires a significant transfer of energy. Achievements in the fields of photocatalysis during the last decade sparked increased interest in the possibility of using sunlight to reduce CO2. In this review we discuss some general features associated with the photocatalytic reduction of CO2 for the production of solar fuels, with considerations to be taken into account of the photocatalyst design, of the limitations arising from the lack of visible light response of titania, of the use of co-catalysts to overcome this shortcoming, together with several strategies that have been applied to enhance the photocatalytic efficiency of CO2 reduction. The aim is not to provide an exhaustive review of the area, but to present general aspects to be considered, and then to outline which are currently the most efficient photocatalytic systems. PMID:24670477

Solar light photocatalytic CO2 reduction: general considerations and selected bench-mark photocatalysts.

PubMed

Neațu, Stefan; Maciá-Agulló, Juan Antonio; Garcia, Hermenegildo

2014-03-25

The reduction of carbon dioxide to useful chemicals has received a great deal of attention as an alternative to the depletion of fossil resources without altering the atmospheric CO2 balance. As the chemical reduction of CO2 is energetically uphill due to its remarkable thermodynamic stability, this process requires a significant transfer of energy. Achievements in the fields of photocatalysis during the last decade sparked increased interest in the possibility of using sunlight to reduce CO2. In this review we discuss some general features associated with the photocatalytic reduction of CO2 for the production of solar fuels, with considerations to be taken into account of the photocatalyst design, of the limitations arising from the lack of visible light response of titania, of the use of co-catalysts to overcome this shortcoming, together with several strategies that have been applied to enhance the photocatalytic efficiency of CO2 reduction. The aim is not to provide an exhaustive review of the area, but to present general aspects to be considered, and then to outline which are currently the most efficient photocatalytic systems.

Amorphous oxide alloys as interfacial layers with broadly tunable electronic structures for organic photovoltaic cells.

PubMed

Zhou, Nanjia; Kim, Myung-Gil; Loser, Stephen; Smith, Jeremy; Yoshida, Hiroyuki; Guo, Xugang; Song, Charles; Jin, Hosub; Chen, Zhihua; Yoon, Seok Min; Freeman, Arthur J; Chang, Robert P H; Facchetti, Antonio; Marks, Tobin J

2015-06-30

In diverse classes of organic optoelectronic devices, controlling charge injection, extraction, and blocking across organic semiconductor-inorganic electrode interfaces is crucial for enhancing quantum efficiency and output voltage. To this end, the strategy of inserting engineered interfacial layers (IFLs) between electrical contacts and organic semiconductors has significantly advanced organic light-emitting diode and organic thin film transistor performance. For organic photovoltaic (OPV) devices, an electronically flexible IFL design strategy to incrementally tune energy level matching between the inorganic electrode system and the organic photoactive components without varying the surface chemistry would permit OPV cells to adapt to ever-changing generations of photoactive materials. Here we report the implementation of chemically/environmentally robust, low-temperature solution-processed amorphous transparent semiconducting oxide alloys, In-Ga-O and Ga-Zn-Sn-O, as IFLs for inverted OPVs. Continuous variation of the IFL compositions tunes the conduction band minima over a broad range, affording optimized OPV power conversion efficiencies for multiple classes of organic active layer materials and establishing clear correlations between IFL/photoactive layer energetics and device performance.

Efficient active-template synthesis of calix[6]arene-based oriented pseudorotaxanes and rotaxanes.

PubMed

Zanichelli, Valeria; Ragazzon, Giulio; Orlandini, Guido; Venturi, Margherita; Credi, Alberto; Silvi, Serena; Arduini, Arturo; Secchi, Andrea

2017-08-16

A substrate can modify its chemical features, including a change of its reactivity, as a consequence of non-covalent interactions upon inclusion within a molecular host. Since the rise of supramolecular chemistry, this phenomenon has stimulated the ingenuity of scientists to emulate the function of enzymes by designing supramolecular systems in which the energetics and selectivity of reactions can be manipulated through programmed host-guest interactions and/or steric confinement. In this paper we investigate how the engulfment of a positively charged pyridinium-based guest inside the π-rich cavity of a tris-(N-phenylureido)calix[6]arene host affects its reactivity towards a S N 2 reaction. We found that the alkylation of complexed substrates leads to the formation of pseudorotaxanes and rotaxanes with faster kinetics and higher yields with respect to the standard procedures exploited so far. More importantly, the strategy described here expands the range of efficient synthetic routes for the formation of mechanically interlocked species with a strict control of the mutual orientation of their non-symmetric molecular components.

Ultra-intense laser interaction with specially-designed targets as a source of energetic protons

NASA Astrophysics Data System (ADS)

Psikal, J.; Matys, M.

2017-05-01

In this contribution, we discuss the optimization of laser driven proton acceleration efficiency by nanostructured targets, interpret the experimental results showing the manipulation of proton beam profiles by nanosctructured rear surface of the targets and investigate the acceleration of protons from hydrogen solid ribbon by PW-class lasers, with the help of multidimensional particle-in-cell simulations. Microstructured hollow targets are proposed to enhance the absorption of the laser pulse energy while keeping the target thickness to minimum, which is both favorable for enhanced efficiency of the acceleration of protons. Thin targets with grating structures of various configurations on their rear sides stretch the proton beams in the perpendicular direction to the grating orientation due to transverse electric fields generated inside the target grooves and can reduce the proton beam divergence in the parallel direction to the grating due to a lower density of the stretched beam compared with flat foils. Finally, it is shown that when multiPW laser pulse interacts with hydrogen solid ribbon, hole boring radiation pressure acceleration (RPA) dominates over the target normal sheath acceleration (TNSA).

Long-term moderate elevation of corticosterone facilitates avian food-caching behaviour and enhances spatial memory.

PubMed

Pravosudov, Vladimir V

2003-12-22

It is widely assumed that chronic stress and corresponding chronic elevations of glucocorticoid levels have deleterious effects on animals' brain functions such as learning and memory. Some animals, however, appear to maintain moderately elevated levels of glucocorticoids over long periods of time under natural energetically demanding conditions, and it is not clear whether such chronic but moderate elevations may be adaptive. I implanted wild-caught food-caching mountain chickadees (Poecile gambeli), which rely at least in part on spatial memory to find their caches, with 90-day continuous time-release corticosterone pellets designed to approximately double the baseline corticosterone levels. Corticosterone-implanted birds cached and consumed significantly more food and showed more efficient cache recovery and superior spatial memory performance compared with placebo-implanted birds. Thus, contrary to prevailing assumptions, long-term moderate elevations of corticosterone appear to enhance spatial memory in food-caching mountain chickadees. These results suggest that moderate chronic elevation of corticosterone may serve as an adaptation to unpredictable environments by facilitating feeding and food-caching behaviour and by improving cache-retrieval efficiency in food-caching birds.

Benchmarking Inverse Statistical Approaches for Protein Structure and Design with Exactly Solvable Models.

PubMed

Jacquin, Hugo; Gilson, Amy; Shakhnovich, Eugene; Cocco, Simona; Monasson, Rémi

2016-05-01

Inverse statistical approaches to determine protein structure and function from Multiple Sequence Alignments (MSA) are emerging as powerful tools in computational biology. However the underlying assumptions of the relationship between the inferred effective Potts Hamiltonian and real protein structure and energetics remain untested so far. Here we use lattice protein model (LP) to benchmark those inverse statistical approaches. We build MSA of highly stable sequences in target LP structures, and infer the effective pairwise Potts Hamiltonians from those MSA. We find that inferred Potts Hamiltonians reproduce many important aspects of 'true' LP structures and energetics. Careful analysis reveals that effective pairwise couplings in inferred Potts Hamiltonians depend not only on the energetics of the native structure but also on competing folds; in particular, the coupling values reflect both positive design (stabilization of native conformation) and negative design (destabilization of competing folds). In addition to providing detailed structural information, the inferred Potts models used as protein Hamiltonian for design of new sequences are able to generate with high probability completely new sequences with the desired folds, which is not possible using independent-site models. Those are remarkable results as the effective LP Hamiltonians used to generate MSA are not simple pairwise models due to the competition between the folds. Our findings elucidate the reasons for the success of inverse approaches to the modelling of proteins from sequence data, and their limitations.

Energetic Techniques For Planetary Defense

NASA Astrophysics Data System (ADS)

Barbee, B.; Bambacus, M.; Bruck Syal, M.; Greenaugh, K. C.; Leung, R. Y.; Plesko, C. S.

2017-12-01

Near-Earth Objects (NEOs) are asteroids and comets whose heliocentric orbits tend to approach or cross Earth's heliocentric orbit. NEOs of various sizes periodically collide with Earth, and efforts are currently underway to discover, track, and characterize NEOs so that those on Earth-impacting trajectories are discovered far enough in advance that we would have opportunities to deflect or destroy them prior to Earth impact, if warranted. We will describe current efforts by the National Aeronautics and Space Administration (NASA) and the National Nuclear Security Administration (NNSA) to assess options for energetic methods of deflecting or destroying hazardous NEOs. These methods include kinetic impactors, which are spacecraft designed to collide with an NEO and thereby alter the NEO's trajectory, and nuclear engineering devices, which are used to rapidly vaporize a layer of NEO surface material. Depending on the amount of energy imparted, this can result in either deflection of the NEO via alteration of its trajectory, or robust disruption of the NEO and dispersal of the remaining fragments. We have studied the efficacies and limitations of these techniques in simulations, and have combined the techniques with corresponding spacecraft designs and mission designs. From those results we have generalized planetary defense mission design strategies and drawn conclusions that are applicable to a range of plausible scenarios. We will present and summarize our research efforts to date, and describe approaches to carrying out planetary defense missions with energetic NEO deflection or disruption techniques.

The metabolic cost of walking on an incline in the Peacock (Pavo cristatus).

PubMed

Wilkinson, Holly; Thavarajah, Nathan; Codd, Jonathan

2015-01-01

Altering speed and moving on a gradient can affect an animal's posture and gait, which in turn can change the energetic requirements of terrestrial locomotion. Here, the energetic and kinematic effects of locomoting on an incline were investigated in the Indian peacock, Pavo cristatus. The mass-specific metabolic rate of the Indian peacock was elevated on an incline, but this change was not dependent on the angle ascended and the cost of lifting remained similar between the two inclines (+5 and +7°). Interestingly, the Indian peacock had the highest efficiency when compared to any other previously studied avian biped, despite the presence of a large train. Duty factors were higher for birds moving on an incline, but there was no difference between +5 and +7°. Our results highlight the importance of investigating kinematic responses during energetic studies, as these may enable explanation of what is driving the underlying metabolic differences when moving on inclines. Further investigations are required to elucidate the underlying mechanical processes occurring during incline movement.

Plasma catalytic reforming of methane

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

Bromberg, L.; Cohn, D.R.; Rabinovich, A.

1998-08-01

Thermal plasma technology can be efficiently used in the production of hydrogen and hydrogen-rich gases from methane and a variety of fuels. This paper describes progress in plasma reforming experiments and calculations of high temperature conversion of methane using heterogeneous processes. The thermal plasma is a highly energetic state of matter that is characterized by extremely high temperatures (several thousand degrees Celsius) and high degree of dissociation and substantial degree of ionization. The high temperatures accelerate the reactions involved in the reforming process. Hydrogen-rich gas (50% H{sub 2}, 17% CO and 33% N{sub 2}, for partial oxidation/water shifting) can bemore » efficiently made in compact plasma reformers. Experiments have been carried out in a small device (2--3 kW) and without the use of efficient heat regeneration. For partial oxidation/water shifting, it was determined that the specific energy consumption in the plasma reforming processes is 16 MJ/kg H{sub 2} with high conversion efficiencies. Larger plasmatrons, better reactor thermal insulation, efficient heat regeneration and improved plasma catalysis could also play a major role in specific energy consumption reduction and increasing the methane conversion. A system has been demonstrated for hydrogen production with low CO content ({approximately} 1.5%) with power densities of {approximately} 30 kW (H{sub 2} HHV)/liter of reactor, or {approximately} 10 m{sup 3}/hr H{sub 2} per liter of reactor. Power density should further increase with increased power and improved design.« less

Multicollinearity in canonical correlation analysis in maize.

PubMed

Alves, B M; Cargnelutti Filho, A; Burin, C

2017-03-30

The objective of this study was to evaluate the effects of multicollinearity under two methods of canonical correlation analysis (with and without elimination of variables) in maize (Zea mays L.) crop. Seventy-six maize genotypes were evaluated in three experiments, conducted in a randomized block design with three replications, during the 2009/2010 crop season. Eleven agronomic variables (number of days from sowing until female flowering, number of days from sowing until male flowering, plant height, ear insertion height, ear placement, number of plants, number of ears, ear index, ear weight, grain yield, and one thousand grain weight), 12 protein-nutritional variables (crude protein, lysine, methionine, cysteine, threonine, tryptophan, valine, isoleucine, leucine, phenylalanine, histidine, and arginine), and 6 energetic-nutritional variables (apparent metabolizable energy, apparent metabolizable energy corrected for nitrogen, ether extract, crude fiber, starch, and amylose) were measured. A phenotypic correlation matrix was first generated among the 29 variables for each of the experiments. A multicollinearity diagnosis was later performed within each group of variables using methodologies such as variance inflation factor and condition number. Canonical correlation analysis was then performed, with and without the elimination of variables, among groups of agronomic and protein-nutritional, and agronomic and energetic-nutritional variables. The canonical correlation analysis in the presence of multicollinearity (without elimination of variables) overestimates the variability of canonical coefficients. The elimination of variables is an efficient method to circumvent multicollinearity in canonical correlation analysis.

2013 R&D 100 Award: 'SHIELD' protects NIF optics from harmful pulses

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

Chou, Jason

In the past, it took as long as 12 hours to manually screen 48 critical checkpoints at the National Ignition Facility (NIF) for harmful laser pulses. The screening equipment had to be moved from point to point throughout a facility the size of three football fields. Now with a new technology, called Laser SHIELD (Screening at High-throughput to Identify Energetic Laser Distortion), and with the push of a button, the screening can be done in less than one second. Proper screening of pulses is critical for the operation of high-energy lasers to ensure that the laser does not exceed safemore » operating conditions for optics. The energetic beams of light are so powerful that, when left uncontrolled, they can shatter the extremely valuable glass inside the laser. If a harmful pulse is found, immediate adjustments can be made in order to protect the optics for the facility. Laser SHIELD is a custom-designed high-throughput screening system built from low-cost and commercially available components found in the telecommunications industry. Its all-fiber design makes it amenable to the unique needs of high-energy laser facilities, including routing to intricate pick-off locations, immunity to electromagnetic interference and low-loss transport (up to several kilometers). The technology offers several important benefits for NIF. First, the facility is able to fire more shots in less time-an efficiency that saves the facility millions of dollars each year. Second, high-energy lasers are more flexible to wavelength changes requested by target physicists. Third, by identifying harmful pulses before they damage the laser's optics, the facility potentially saves hundreds of thousands of dollars in maintenance costs each year.« less

2013 R&D 100 Award: 'SHIELD' protects NIF optics from harmful pulses

ScienceCinema

Chou, Jason

2018-02-13

In the past, it took as long as 12 hours to manually screen 48 critical checkpoints at the National Ignition Facility (NIF) for harmful laser pulses. The screening equipment had to be moved from point to point throughout a facility the size of three football fields. Now with a new technology, called Laser SHIELD (Screening at High-throughput to Identify Energetic Laser Distortion), and with the push of a button, the screening can be done in less than one second. Proper screening of pulses is critical for the operation of high-energy lasers to ensure that the laser does not exceed safe operating conditions for optics. The energetic beams of light are so powerful that, when left uncontrolled, they can shatter the extremely valuable glass inside the laser. If a harmful pulse is found, immediate adjustments can be made in order to protect the optics for the facility. Laser SHIELD is a custom-designed high-throughput screening system built from low-cost and commercially available components found in the telecommunications industry. Its all-fiber design makes it amenable to the unique needs of high-energy laser facilities, including routing to intricate pick-off locations, immunity to electromagnetic interference and low-loss transport (up to several kilometers). The technology offers several important benefits for NIF. First, the facility is able to fire more shots in less time-an efficiency that saves the facility millions of dollars each year. Second, high-energy lasers are more flexible to wavelength changes requested by target physicists. Third, by identifying harmful pulses before they damage the laser's optics, the facility potentially saves hundreds of thousands of dollars in maintenance costs each year.

Cosmic-Ray Energetics and Mass (CREAM) Processing - Bonding

NASA Image and Video Library

2017-06-20

In the Space Station Processing Facility at NASA's Kennedy Space Center in Florida, technicians and engineers inspect components for the Cosmic-Ray Energetics and Mass investigation, or CREAM, instrument. It is designed to measure the charges of cosmic rays to better understand what gives them such incredible energies, and how that effects the composition of the universe. The instrument will be launched to the space station on the SpaceX CRS-12 commercial resupply mission in August 2017.

Cosmic-Ray Energetics and Mass (CREAM) Processing - Bonding

NASA Image and Video Library

2017-06-20

In the Space Station Processing Facility at NASA's Kennedy Space Center in Florida, a technician remove a protective cover on the Cosmic-Ray Energetics and Mass investigation, or CREAM, instrument. It is designed to measure the charges of cosmic rays to better understand what gives them such incredible energies, and how that effects the composition of the universe. The instrument will be launched to the space station on the SpaceX CRS-12 commercial resupply mission in August 2017.

Cosmic-Ray Energetics and Mass (CREAM) Unbagging and Inspection

NASA Image and Video Library

2017-06-22

In the Space Station Processing Facility at NASA's Kennedy Space Center in Florida, technicians and engineers inspect the Cosmic-Ray Energetics and Mass investigation, or CREAM, instrument. It is designed to measure the charges of cosmic rays to better understand what gives them such incredible energies, and how that effects the composition of the universe. The instrument will be launched to the space station on the SpaceX CRS-12 commercial resupply mission in August 2017.

Synthesis of Densely Packaged, Ultrasmall Pt02 Clusters within a Thioether-Functionalized MOF: Catalytic Activity in Industrial Reactions at Low Temperature.

PubMed

Mon, Marta; Rivero-Crespo, Miguel A; Ferrando-Soria, Jesús; Vidal-Moya, Alejandro; Boronat, Mercedes; Leyva-Pérez, Antonio; Corma, Avelino; Hernández-Garrido, Juan C; López-Haro, Miguel; Calvino, José J; Ragazzon, Giulio; Credi, Alberto; Armentano, Donatella; Pardo, Emilio

2018-05-22

The gram-scale synthesis, stabilization, and characterization of well-defined ultrasmall subnanometric catalytic clusters on solids is a challenge. The chemical synthesis and X-ray snapshots of Pt 0 2 clusters, homogenously distributed and densely packaged within the channels of a metal-organic framework, is presented. This hybrid material catalyzes efficiently, and even more importantly from an economic and environmental viewpoint, at low temperature (25 to 140 °C), energetically costly industrial reactions in the gas phase such as HCN production, CO 2 methanation, and alkene hydrogenations. These results open the way for the design of precisely defined catalytically active ultrasmall metal clusters in solids for technically easier, cheaper, and dramatically less-dangerous industrial reactions. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Experimental Study on Reaction Characteristics of PTFE/Ti/W Energetic Materials under Explosive Loading

PubMed Central

Li, Yan; Jiang, Chunlan; Wang, Zaicheng; Luo, Puguang

2016-01-01

Metal/fluoropolymer composites represent a new category of energetic structural materials that release energy through exothermic chemical reactions initiated under shock loading conditions. This paper describes an experiment designed to study the reaction characteristics of energetic materials with low porosity under explosive loading. Three PTFE (polytetrafluoroethylene)/Ti/W mixtures with different W contents are processed through pressing and sintering. An inert PTFE/W mixture without reactive Ti particles is also prepared to serve as a reference. Shock-induced chemical reactions are recorded by high-speed video through a narrow observation window. Related shock parameters are calculated based on experimental data, and differences in energy release are discussed. The results show that the reaction propagation of PTFE/Ti/W energetic materials with low porosity under explosive loading is not self-sustained. As propagation distance increases, the energy release gradually decreases. In addition, reaction failure distance in PTFE/Ti/W composites is inversely proportional to the W content. Porosity increased the failure distance due to higher shock temperature. PMID:28774056

Kinetic and energetic paradigms for dye-sensitized solar cells: moving from the ideal to the real.

PubMed

O'Regan, Brian C; Durrant, James R

2009-11-17

Dye-sensitized solar cells (DSSCs) are photoelectrochemical solar cells. Their function is based on photoinduced charge separation at a dye-sensitized interface between a nanocrystalline, mesoporous metal oxide electrode and a redox electrolyte. They have been the subject of substantial academic and commercial research over the last 20 years, motivated by their potential as a low-cost solar energy conversion technology. Substantial progress has been made in enhancing the efficiency, stability, and processability of this technology and, in particular, the interplay between these technology drivers. However, despite intense research efforts, our ability to identify predictive materials and structure/device function relationships and, thus, achieve the rational optimization of materials and device design, remains relatively limited. A key challenge in developing such predictive design tools is the chemical complexity of the device. DSSCs comprise distinct materials components, including metal oxide nanoparticles, a molecular sensitizer dye, and a redox electrolyte, all of which exhibit complex interactions with each other. In particular, the electrolyte alone is chemically complex, including not only a redox couple (almost always iodide/iodine) but also a range of additional additives found empirically to enhance device performance. These molecular solutes make up typically 20% of the electrolyte by volume. As with most molecular systems, they exhibit complex interactions with both themselves and the other device components (e.g., the sensitizer dye and the metal oxide). Moreover, these interactions can be modulated by solar irradiation and device operation. As such, understanding the function of these photoelectrochemical solar cells requires careful consideration of the chemical complexity and its impact upon device operation. In this Account, we focus on the process by which electrons injected into the nanocrystalline electrode are collected by the external electrical circuit in real devices under operating conditions. We first of all summarize device function, including the energetics and kinetics of the key processes, using an "idealized" description, which does not fully account for much of the chemical complexity of the system. We then go on to consider recent advances in our understanding of the impact of these complexities upon the efficiency of electron collection. These include "catalysis" of interfacial recombination losses by surface adsorption processes and the influence of device operating conditions upon the recombination rate constant and conduction band energy, both attributed to changes in the chemical composition of the interface. We go on to discuss appropriate methodologies for quantifying the efficiency of electron collection in devices under operation. Finally, we show that, by taking into account these advances in our understanding of the DSSC function, we are able to recreate the current/voltage curves of both efficient and degraded devices without any fitting parameters and, thus, gain significant insight into the determinants of DSSC performance.

Proton emission from cone-in-shell fast-ignition experiments at Omega

NASA Astrophysics Data System (ADS)

Sinenian, N.; Theobald, W.; Frenje, J. A.; Stoeckl, C.; Séguin, F. H.; Li, C. K.; Petrasso, R. D.; Stephens, R. B.

2012-11-01

Measurements of energetic protons from cone-in-shell fast-igniton implosions at Omega have been conducted. In these experiments, charged-particle spectrometers were used to measure a significant population (>1013) of energetic protons (7.5 MeV max.), indicating the presence of strong electric fields. These energetic protons, observed in directions both transverse and forward relative to the direction of the short-pulse laser beam, have been used to study aspects of coupling efficiency of the petawatt fast-ignitior beam. Approximately 5% of the laser energy coupled to hot electrons was lost to fast ions. Forward going protons were less energetic and showed no dependence on laser intensity or whether the cone tip was intact when the short-pulse laser was fired. Maximum energies of protons emitted transverse to the cone-in-shell target scale with incident on-target laser intensity (2-6×1018W-cm-2), as described by the ponderomotive scaling (∝I1/2). It is shown that these protons are accelerated from the entire cone, rather than from the cone tip alone. These protons were used to estimate the lower limit on the hot-electron temperature, which was found to be hotter than the ponderomotive scaling by factors of 2-3.

Interfacial band-edge engineered TiO2 protection layer on Cu2O photocathodes for efficient water reduction reaction

NASA Astrophysics Data System (ADS)

Choi, Jaesuk; Song, Jun Tae; Jang, Ho Seong; Choi, Min-Jae; Sim, Dong Min; Yim, Soonmin; Lim, Hunhee; Jung, Yeon Sik; Oh, Jihun

2017-01-01

Photoelectrochemical (PEC) water splitting has emerged as a potential pathway to produce sustainable and renewable chemical fuels. Here, we present a highly active Cu2O/TiO2 photocathode for H2 production by enhancing the interfacial band-edge energetics of the TiO2 layer, which is realized by controlling the fixed charge density of the TiO2 protection layer. The band-edge engineered Cu2O/TiO2 (where TiO2 was grown at 80 °C via atomic layer deposition) enhances the photocurrent density up to -2.04 mA/cm2 at 0 V vs. RHE under 1 sun illumination, corresponding to about a 1,200% enhancement compared to the photocurrent density of the photocathode protected with TiO2 grown at 150 °C. Moreover, band-edge engineering of the TiO2 protection layer prevents electron accumulation at the TiO2 layer and enhances both the Faraday efficiency and the stability for hydrogen production during the PEC water reduction reaction. This facile control over the TiO2/electrolyte interface will also provide new insight for designing highly efficient and stable protection layers for various other photoelectrodes such as Si, InP, and GaAs. [Figure not available: see fulltext.

Modelling cephalopod-inspired pulsed-jet locomotion for underwater soft robots.

PubMed

Renda, F; Giorgio-Serchi, F; Boyer, F; Laschi, C

2015-09-28

Cephalopods (i.e., octopuses and squids) are being looked upon as a source of inspiration for the development of unmanned underwater vehicles. One kind of cephalopod-inspired soft-bodied vehicle developed by the authors entails a hollow, elastic shell capable of performing a routine of recursive ingestion and expulsion of discrete slugs of fluids which enable the vehicle to propel itself in water. The vehicle performances were found to depend largely on the elastic response of the shell to the actuation cycle, thus motivating the development of a coupled propulsion-elastodynamics model of such vehicles. The model is developed and validated against a set of experimental results performed with the existing cephalopod-inspired prototypes. A metric of the efficiency of the propulsion routine which accounts for the elastic energy contribution during the ingestion/expulsion phases of the actuation is formulated. Demonstration on the use of this model to estimate the efficiency of the propulsion routine for various pulsation frequencies and for different morphologies of the vehicles are provided. This metric of efficiency, employed in association with the present elastodynamics model, provides a useful tool for performing a priori energetic analysis which encompass both the design specifications and the actuation pattern of this new kind of underwater vehicle.

Refractory Sampling Links Efficiency and Costs of Sensory Encoding to Stimulus Statistics

PubMed Central

Song, Zhuoyi

2014-01-01

Sensory neurons integrate information about the world, adapting their sampling to its changes. However, little is understood mechanistically how this primary encoding process, which ultimately limits perception, depends upon stimulus statistics. Here, we analyze this open question systematically by using intracellular recordings from fly (Drosophila melanogaster and Coenosia attenuata) photoreceptors and corresponding stochastic simulations from biophysically realistic photoreceptor models. Recordings show that photoreceptors can sample more information from naturalistic light intensity time series (NS) than from Gaussian white-noise (GWN), shuffled-NS or Gaussian-1/f stimuli; integrating larger responses with higher signal-to-noise ratio and encoding efficiency to large bursty contrast changes. Simulations reveal how a photoreceptor's information capture depends critically upon the stochastic refractoriness of its 30,000 sampling units (microvilli). In daylight, refractoriness sacrifices sensitivity to enhance intensity changes in neural image representations, with more and faster microvilli improving encoding. But for GWN and other stimuli, which lack longer dark contrasts of real-world intensity changes that reduce microvilli refractoriness, these performance gains are submaximal and energetically costly. These results provide mechanistic reasons why information sampling is more efficient for natural/naturalistic stimulation and novel insight into the operation, design, and evolution of signaling and code in sensory neurons. PMID:24849356

Novel Modelling Tool for Energetics

NASA Astrophysics Data System (ADS)

Dossi, Licia

Polymer science combines an understanding of chemistry and material properties to design, develop, model and manufacture new materials with special properties for new applications. The Binders by Design UK programme, funded through the Weapons Science and Technology Centre (WSTC) by the Defence Science and Technology Laboratory (Dstl), develop new polymeric materials for energetic applications that can survive over the increased operating temperature ranges of future weapon platforms and satisfy international and national regulations. A multidisciplinary team of UK chemists, physicists, modellers and end users (Cranfield University, Sheffield-Hallam University, QinetiQ, Fluid Gravity Engineering, BAE Systems UK Land and Roxel UK) research together on the synthesis, characterisation and modelling of novel macromolecules with very promising thermal properties. Group Interaction Modelling supported by molecular mechanics calculations is used for a rapid assessment and selection of candidate molecules. New model and simulation protocols suitable for investigating the glass transition behaviour of HTPB oligomers are developed. The continuum level models and a constitutive model for a binder/energetic system are developing, for application in safety assessments (e.g. low-velocity impact tests).

A numerical study on the thermal initiation of a confined explosive in 2-D geometry.

PubMed

Aydemir, Erdoğan; Ulas, Abdullah

2011-02-15

Insensitive munitions design against thermal stimuli like slow or fast cook-off has become a significant requirement for today's munitions. In order to achieve insensitive munitions characteristics, the response of the energetic material needs to be predicted against heating stimuli. In this study, a 2D numerical code was developed to simulate the slow and fast cook-off heating conditions of confined munitions and to obtain the response of the energetic materials. Computations were performed in order to predict the transient temperature distribution, the ignition time, and the location of ignition in the munitions. These predictions enable the designers to have an idea of when and at which location the energetic material ignites under certain adverse surrounding conditions. In the paper, the development of the code is explained and the numerical results are compared with available experimental and numerical data in the literature. Additionally, a parametric study was performed showing the effect of dimensional scaling of munitions and the heating rate on the ignition characteristics. Copyright © 2010 Elsevier B.V. All rights reserved.

The thermodynamic efficiency of ATP synthesis in oxidative phosphorylation.

PubMed

Nath, Sunil

2016-12-01

As the chief energy source of eukaryotic cells, it is important to determine the thermodynamic efficiency of ATP synthesis in oxidative phosphorylation (OX PHOS). Previous estimates of the thermodynamic efficiency of this vital process have ranged from Lehninger's original back-of-the-envelope calculation of 38% to the often quoted value of 55-60% in current textbooks of biochemistry, to high values of 90% from recent information theoretic considerations, and reports of realizations of close to ideal 100% efficiencies by single molecule experiments. Hence this problem has been reinvestigated from first principles. The overall thermodynamic efficiency of ATP synthesis in the mitochondrial energy transduction OX PHOS process has been found to lie between 40 and 41% from four different approaches based on a) estimation using structural and biochemical data, b) fundamental nonequilibrium thermodynamic analysis, c) novel insights arising from Nath's torsional mechanism of energy transduction and ATP synthesis, and d) the overall balance of cellular energetics. The torsional mechanism also offers an explanation for the observation of a thermodynamic efficiency approaching 100% in some experiments. Applications of the unique, molecular machine mode of functioning of F 1 F O -ATP synthase involving direct inter-conversion of chemical and mechanical energies in the design and fabrication of novel, man-made mechanochemical devices have been envisaged, and some new ways to exorcise Maxwell's demon have been proposed. It is hoped that analysis of the fundamental problem of energy transduction in OX PHOS from a fresh perspective will catalyze new avenues of research in this interdisciplinary field. Copyright © 2016 Elsevier B.V. All rights reserved.

Quantum and Carbon Nanomaterials | Chemistry and Nanoscience Research |

Science.gov Websites

acceptors in composites with thiophene-based conjugated polymers, ultimately determining that the free interface to efficiently dissociate excitons and spatially separate long-lived free carriers, but pointed toward a dependence of the free-carrier yield on the energetic driving force at the interface. By tuning

Transforming a Brutalist Monument into an Energy Efficient Building Without Destroying the Formal Appealing: The Example of the Mediterranean Bank in Potenza (Italy)

NASA Astrophysics Data System (ADS)

Lembo, Filiberto

In years 1980 the "brutalist" and "monumentalist" architecture went even in Italy, and in Potenza, and it finds some interesting examples, such as the building designed as the home of the Mediterranean Bank. A monumental building, all in reinforced facing concrete and curtain walls, with refined proportional relationships, and so devoid of insulation (annual heat demand of 69 kWh/m3 year), that its management has become unbearable from the economic point of view, so it was abandoned a few years ago. Aim of this work was to define a design methodology that preserves all the qualities of architecture, but at a cost that is economically bearable and made the building energetically efficient. This was done by allying a very thick and efficient isolation, protected by a ventilated continues rainscreen, finished with several layers of a thin plaster with a bèton-like effect, which determines a morphology that, while different, recalls the original. The curtain walls were doubled with a double skin façade, whose performance has been optimized with a purpose created software. The huge skylight roof of the interior atrium has been doubled with a new, of different trend and thermally more effective. The roof was covered with photovoltaic panels. The result is an annual heat and refrigeration demand of 17 kWh/m3 year, at a cost of 20,000 €/m2, quickly depreciating, due to savings in operating costs for air conditioning (from €104,800.00 to €14,700.00 per year).

An experiment to study energetic particle fluxes in and beyond the earth's outer magnetosphere

NASA Technical Reports Server (NTRS)

Anderson, K. A.; Lin, R. P.; Paoli, R. J.; Parks, G. K.; Lin, C. S.; Reme, H.; Bosqued, J. M.; Martel, F.; Cotin, F.; Cros, A.

1978-01-01

This experiment is designed to take advantage of the ISEE Mother/Daughter dual spacecraft system to study energetic particle phenomena in the earth's outer magnetosphere and beyond. Large geometric factor fixed voltage electrostatic analyzers and passively cooled semiconductor detector telescopes provide high time resolution coverage of the energy range from 1.5 to 300 keV for both ions and electrons. Essentially identical instrumentation is placed on the two spacecraft to separate temporal from spatial effects in the observed particle phenomena.

Energetic radiation produced during rocket-triggered lightning.

PubMed

Dwyer, Joseph R; Uman, Martin A; Rassoul, Hamid K; Al-Dayeh, Maher; Caraway, Lee; Jerauld, Jason; Rakov, Vladimir A; Jordan, Douglas M; Rambo, Keith J; Corbin, Vincent; Wright, Brian

2003-01-31

Using a NaI(Tl) scintillation detector designed to operate in electrically noisy environments, we observed intense bursts of energetic radiation (> 10 kiloelectron volts) during the dart leader phase of rocket-triggered lightning, just before and possibly at the very start of 31 out of the 37 return strokes measured. The bursts had typical durations of less than 100 microseconds and deposited many tens of megaelectron volts into the detector. These results provide strong evidence that the production of runaway electrons is an important process during lightning.

COSTEP: A comprehensive suprathermal and energetic particle analyzer for SOHO

NASA Technical Reports Server (NTRS)

Kunow, Horst; Fischer, Harald; Green, Guenter; Mueller-Mellin, Reinhold; Wibberenz, Gerd; Holweger, Hartmut; Evenson, Paul; Meyer, Jean-Paul; Hasebe, Nabuyuki; Vonrosenvinge, Tycho

1988-01-01

The group of instruments involved in the COSTEP (comprehensive suprathermal and energetic particle analyzer) project are described. Three sensors, the LION (low energy ion and electron) instrument, the MEICA (medium energy ion composition analyzer) and the EPHIN (electron proton helium instrument) are described. They are designed to analyze particle emissions from the sun over a wide range of species (electrons through iron) and energies (60 KeV/particle to 500 MeV/nucleon). The data collected is used in studying solar and space plasma physics.

Cosmic-Ray Energetics and Mass (CREAM) Processing - Bonding

NASA Image and Video Library

2017-06-20

In the Space Station Processing Facility at NASA's Kennedy Space Center in Florida, technicians and engineers remove a protective cover on the Cosmic-Ray Energetics and Mass investigation, or CREAM, instrument. It is designed to measure the charges of cosmic rays to better understand what gives them such incredible energies, and how that effects the composition of the universe. The instrument will be launched to the space station on the SpaceX CRS-12 commercial resupply mission in August 2017.

Design rules for charge-transport efficient host materials for phosphorescent organic light-emitting diodes.

PubMed

May, Falk; Al-Helwi, Mustapha; Baumeier, Björn; Kowalsky, Wolfgang; Fuchs, Evelyn; Lennartz, Christian; Andrienko, Denis

2012-08-22

The use of blue phosphorescent emitters in organic light-emitting diodes (OLEDs) imposes demanding requirements on a host material. Among these are large triplet energies, the alignment of levels with respect to the emitter, the ability to form and sustain amorphous order, material processability, and an adequate charge carrier mobility. A possible design strategy is to choose a π-conjugated core with a high triplet level and to fulfill the other requirements by using suitable substituents. Bulky substituents, however, induce large spatial separations between conjugated cores, can substantially reduce intermolecular electronic couplings, and decrease the charge mobility of the host. In this work we analyze charge transport in amorphous 2,8-bis(triphenylsilyl)dibenzofuran, an electron-transporting material synthesized to serve as a host in deep-blue OLEDs. We show that mesomeric effects delocalize the frontier orbitals over the substituents recovering strong electronic couplings and lowering reorganization energies, especially for electrons, while keeping energetic disorder small. Admittance spectroscopy measurements reveal that the material has indeed a high electron mobility and a small Poole-Frenkel slope, supporting our conclusions. By linking electronic structure, molecular packing, and mobility, we provide a pathway to the rational design of hosts with high charge mobilities.

Structure-based non-canonical amino acid design to covalently crosslink an antibody–antigen complex

PubMed Central

Xu, Jianqing; Tack, Drew; Hughes, Randall A.; Ellington, Andrew D.; Gray, Jeffrey J.

2014-01-01

Engineering antibodies to utilize non-canonical amino acids (NCAA) should greatly expand the utility of an already important biological reagent. In particular, introducing crosslinking reagents into antibody complementarity determining regions (CDRs) should provide a means to covalently crosslink residues at the antibody–antigen interface. Unfortunately, finding the optimum position for crosslinking two proteins is often a matter of iterative guessing, even when the interface is known in atomic detail. Computer-aided antibody design can potentially greatly restrict the number of variants that must be explored in order to identify successful crosslinking sites. We have therefore used Rosetta to guide the introduction of an oxidizable crosslinking NCAA, l-3,4-dihydroxyphenylalanine (l-DOPA), into the CDRs of the anti-protective antigen scFv antibody M18, and have measured crosslinking to its cognate antigen, domain 4 of the anthrax protective antigen. Computed crosslinking distance, solvent accessibility, and interface energetics were three factors considered that could impact the efficiency of l-DOPA-mediated crosslinking. In the end, 10 variants were synthesized, and crosslinking efficiencies were generally 10% or higher, with the best variant crosslinking to 52% of the available antigen. The results suggest that computational analysis can be used in a pipeline for engineering crosslinking antibodies. The rules learned from l-DOPA crosslinking of antibodies may also be generalizable to the formation of other crosslinked interfaces and complexes. PMID:23680795

Nuclear Hybrid Energy System: Molten Salt Energy Storage (Summer Report 2013)

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

Sabharwall, Piyush; mckellar, Michael George; Yoon, Su-Jong

2013-11-01

Effective energy use is a main focus and concern in the world today because of the growing demand for energy. The nuclear hybrid energy system (NHES) is a valuable technical concept that can potentially diversify and leverage existing energy technologies. This report considers a particular NHES design that combines multiple energy systems including a nuclear reactor, energy storage system (ESS), variable renewable generator (VRG), and additional process heat applications. Energy storage is an essential component of this particular NHES because its design allows the system to produce peak power while the nuclear reactor operates at constant power output. Many energymore » storage options are available, but this study mainly focuses on a molten salt ESS. The primary purpose of the molten salt ESS is to enable the nuclear reactor to be a purely constant heat source by acting as a heat storage component for the reactor during times of low demand, and providing additional capacity for thermo-electric power generation during times of peak electricity demand. This report will describe the rationale behind using a molten salt ESS and identify an efficient molten salt ESS configuration that may be used in load following power applications. Several criteria are considered for effective energy storage and are used to identify the most effective ESS within the NHES. Different types of energy storage are briefly described with their advantages and disadvantages. The general analysis to determine the most efficient molten salt ESS involves two parts: thermodynamic, in which energetic and exergetic efficiencies are considered; and economic. Within the molten salt ESS, the two-part analysis covers three major system elements: molten salt ESS designs (two tank direct and thermocline), the molten salt choice, and the different power cycles coupled with the molten salt ESS. Analysis models are formulated and analyzed to determine the most effective ESS. The results show that the most efficient idealized energy storage system is the two tank direct molten salt ESS with an Air Brayton combined cycle using LiF-NaF-KF as the molten salt, and the most economical is the same design with KCl MgCl2 as the molten salt. With energy production being a major worldwide industry, understanding the most efficient molten salt ESS boosts development of an effective NHES with cheap, clean, and steady power.« less

Computational Enzyme Design: Advances, hurdles and possible ways forward

PubMed Central

Linder, Mats

2012-01-01

This mini review addresses recent developments in computational enzyme design. Successful protocols as well as known issues and limitations are discussed from an energetic perspective. It will be argued that improved results can be obtained by including a dynamic treatment in the design protocol. Finally, a molecular dynamics-based approach for evaluating and refining computational designs is presented. PMID:24688650

Anisotropic mechanoresponse of energetic crystallites: a quantum molecular dynamics study of nano-collision

NASA Astrophysics Data System (ADS)

Li, Ying; Kalia, Rajiv K.; Misawa, Masaaki; Nakano, Aiichiro; Nomura, Ken-Ichi; Shimamura, Kohei; Shimojo, Fuyuki; Vashishta, Priya

2016-05-01

At the nanoscale, chemistry can happen quite differently due to mechanical forces selectively breaking the chemical bonds of materials. The interaction between chemistry and mechanical forces can be classified as mechanochemistry. An example of archetypal mechanochemistry occurs at the nanoscale in anisotropic detonating of a broad class of layered energetic molecular crystals bonded by inter-layer van der Waals (vdW) interactions. Here, we introduce an ab initio study of the collision, in which quantum molecular dynamic simulations of binary collisions between energetic vdW crystallites, TATB molecules, reveal atomistic mechanisms of anisotropic shock sensitivity. The highly sensitive lateral collision was found to originate from the twisting and bending to breaking of nitro-groups mediated by strong intra-layer hydrogen bonds. This causes the closing of the electronic energy gap due to an inverse Jahn-Teller effect. On the other hand, the insensitive collisions normal to multilayers are accomplished by more delocalized molecular deformations mediated by inter-layer interactions. Our nano-collision studies provide a much needed atomistic understanding for the rational design of insensitive energetic nanomaterials and the detonation synthesis of novel nanomaterials.At the nanoscale, chemistry can happen quite differently due to mechanical forces selectively breaking the chemical bonds of materials. The interaction between chemistry and mechanical forces can be classified as mechanochemistry. An example of archetypal mechanochemistry occurs at the nanoscale in anisotropic detonating of a broad class of layered energetic molecular crystals bonded by inter-layer van der Waals (vdW) interactions. Here, we introduce an ab initio study of the collision, in which quantum molecular dynamic simulations of binary collisions between energetic vdW crystallites, TATB molecules, reveal atomistic mechanisms of anisotropic shock sensitivity. The highly sensitive lateral collision was found to originate from the twisting and bending to breaking of nitro-groups mediated by strong intra-layer hydrogen bonds. This causes the closing of the electronic energy gap due to an inverse Jahn-Teller effect. On the other hand, the insensitive collisions normal to multilayers are accomplished by more delocalized molecular deformations mediated by inter-layer interactions. Our nano-collision studies provide a much needed atomistic understanding for the rational design of insensitive energetic nanomaterials and the detonation synthesis of novel nanomaterials. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr08769d

Correlation of Upper-Atmospheric 7-Be with Solar Energetic Particle Events

NASA Technical Reports Server (NTRS)

Phillips, G. W.; Share, G. H.; King, S. E.; August, R. A.; Tylka, A. J.; Adams, J. H., Jr.; Panasyuk, M. I.; Nymmik, R. A.; Kuzhevskij, B. M.; Kulikauskas, V. S.;

What do foraging wasps optimize in a variable environment, energy investment or body temperature?

PubMed

Kovac, Helmut; Stabentheiner, Anton; Brodschneider, Robert

2015-11-01

Vespine wasps (Vespula sp.) are endowed with a pronounced ability of endothermic heat production. To show how they balance energetics and thermoregulation under variable environmental conditions, we measured the body temperature and respiration of sucrose foragers (1.5 M, unlimited flow) under variable ambient temperature (T a = 20-35 °C) and solar radiation (20-570 W m(-2)). Results revealed a graduated balancing of metabolic efforts with thermoregulatory needs. The thoracic temperature in the shade depended on ambient temperature, increasing from ~37 to 39 °C. However, wasps used solar heat gain to regulate their thorax temperature at a rather high level at low T a (mean T thorax ~ 39 °C). Only at high T a they used solar heat to reduce their metabolic rate remarkably. A high body temperature accelerated the suction speed and shortened foraging time. As the costs of foraging strongly depended on duration, the efficiency could be significantly increased with a high body temperature. Heat gain from solar radiation enabled the wasps to enhance foraging efficiency at high ambient temperature (T a = 30 °C) by up to 63 %. The well-balanced change of economic strategies in response to environmental conditions minimized costs of foraging and optimized energetic efficiency.

An analysis of the Lorenz energy cycle for conditions of low, middle and high CO2 concentrations based on the RCP2.6, RCP4.5 and RCP8.5

NASA Astrophysics Data System (ADS)

Veiga, J. A.; Ambrizzi, T.

2013-05-01

The energetic analysis in this study takes account the new set of scenarios forcing experiments: RCP85, RCP45, RCP26. The model used in this study pertains to the fifth Coupled Model Intercomparison Project (CMIP5). The results show a decrease in the most of energy terms of the Lorenz energetics for the global domain. The reduction of the values in the energy cycle is clear and is independent of the CO2 emission scenario. However, the strongest reduction is related to the highest radiative forcing experiment the RCP85. As an inverse behavior the results show an increase in CK, KZ and KE components of the energy cycle. Similar reduction in the energetics intensity is observed for the SH domain, with RCP85 emission scenario provoking the most intense decrease in the energy terms. However, for this scenario the energetics projection indicates an increase in KZ of 24.6%, which is higher than for global (21.56%) and for the NH (9.36%) domains. The increase of KZ for all domains is attributed to the increase in CK, which in this case acts as a source of energy for KZ, and to the efficiency factor, which is defined as the rate between conversion and generation. The NH energetics suffer changes in the energy cycle as well. The results showed a reduction in CE for all scenarios, however KE suffer low rate of increase relative for the historical experiment.

Optimal exploitation of spatially distributed trophic resources and population stability

USGS Publications Warehouse

Basset, A.; Fedele, M.; DeAngelis, D.L.

2002-01-01

The relationships between optimal foraging of individuals and population stability are addressed by testing, with a spatially explicit model, the effect of patch departure behaviour on individual energetics and population stability. A factorial experimental design was used to analyse the relevance of the behavioural factor in relation to three factors that are known to affect individual energetics; i.e. resource growth rate (RGR), assimilation efficiency (AE), and body size of individuals. The factorial combination of these factors produced 432 cases, and 1000 replicate simulations were run for each case. Net energy intake rates of the modelled consumers increased with increasing RGR, consumer AE, and consumer body size, as expected. Moreover, through their patch departure behaviour, by selecting the resource level at which they departed from the patch, individuals managed to substantially increase their net energy intake rates. Population stability was also affected by the behavioural factors and by the other factors, but with highly non-linear responses. Whenever resources were limiting for the consumers because of low RGR, large individual body size or low AE, population density at the equilibrium was directly related to the patch departure behaviour; on the other hand, optimal patch departure behaviour, which maximised the net energy intake at the individual level, had a negative influence on population stability whenever resource availability was high for the consumers. The consumer growth rate (r) and numerical dynamics, as well as the spatial and temporal fluctuations of resource density, which were the proximate causes of population stability or instability, were affected by the behavioural factor as strongly or even more strongly than by the others factors considered here. Therefore, patch departure behaviour can act as a feedback control of individual energetics, allowing consumers to optimise a potential trade-off between short-term individual fitness and long-term population stability. ?? 2002 Elsevier Science B.V. All rights reserved.

Binding Site and Potency Prediction of Teixobactin and other Lipid II Ligands by Statistical Base Scoring of Conformational Space Maps.

PubMed

Lungu, Claudiu N; Diudea, Mircea V

2018-01-01

Lipid II, a peptidoglycan, is a precursor in bacterial cell synthesis. It has both hydrophilic and lipophilic properties. The molecule translocates a bacterial membrane to deliver and incorporate "building blocks" from disaccharide-pentapeptide into the peptidoglican wall. Lipid II is a valid antibiotic target. A receptor binding pocket may be occupied by a ligand in various plausible conformations, among which only few ones are energetically related to a biological activity in the physiological efficiency domain. This paper reports the mapping of the conformational space of Lipid II in its interaction with Teixobactin and other Lipid II ligands. In order to study computationally the complex between Lipid II and ligands, a docking study was first carried on. Docking site was retrieved form literature. After docking, 5 ligand conformations and further 5 complexes (denoted 00 to 04) for each molecule were taken into account. For each structure, conformational studies were performed. Statistical analysis, conformational analysis and molecular dynamics based clustering were used to predict the potency of these compounds. A score for potency prediction was developed. Appling lipid II classification according to Lipid II conformational energy, a conformation of Teixobactin proved to be energetically favorable, followed by Oritravicin, Dalbavycin, Telvanicin, Teicoplamin and Vancomycin, respectively. Scoring of molecules according to cluster band and PCA produced the same result. Molecules classified according to standard deviations showed Dalbavycin as the most favorable conformation, followed by Teicoplamin, Telvanicin, Teixobactin, Oritravicin and Vancomycin, respectively. Total score showing best energetic efficiency of complex formation shows Teixobactin to have the best conformation (a score of 15 points) followed by Dalbavycin (14 points), Oritravicin (12v points), Telvanicin (10 points), Teicoplamin (9 points), Vancomycin (3 points). Statistical analysis of conformations can be used to predict the efficiency of ligand - target interaction and consecutively to find insight regarding ligand potency and postulate about favorable conformation of ligand and binding site. In this study it was shown that Teixobactin is more efficient in binding with Lipid II compared to Vancomycin, results confirmed by experimental data reported in literature. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Design and analysis of forward and reverse models for predicting defect accumulation, defect energetics, and irradiation conditions

DOE PAGES

Stewart, James A.; Kohnert, Aaron A.; Capolungo, Laurent; ...

2018-03-06

The complexity of radiation effects in a material’s microstructure makes developing predictive models a difficult task. In principle, a complete list of all possible reactions between defect species being considered can be used to elucidate damage evolution mechanisms and its associated impact on microstructure evolution. However, a central limitation is that many models use a limited and incomplete catalog of defect energetics and associated reactions. Even for a given model, estimating its input parameters remains a challenge, especially for complex material systems. Here, we present a computational analysis to identify the extent to which defect accumulation, energetics, and irradiation conditionsmore » can be determined via forward and reverse regression models constructed and trained from large data sets produced by cluster dynamics simulations. A global sensitivity analysis, via Sobol’ indices, concisely characterizes parameter sensitivity and demonstrates how this can be connected to variability in defect evolution. Based on this analysis and depending on the definition of what constitutes the input and output spaces, forward and reverse regression models are constructed and allow for the direct calculation of defect accumulation, defect energetics, and irradiation conditions. Here, this computational analysis, exercised on a simplified cluster dynamics model, demonstrates the ability to design predictive surrogate and reduced-order models, and provides guidelines for improving model predictions within the context of forward and reverse engineering of mathematical models for radiation effects in a materials’ microstructure.« less

Design and analysis of forward and reverse models for predicting defect accumulation, defect energetics, and irradiation conditions

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

Stewart, James A.; Kohnert, Aaron A.; Capolungo, Laurent

The complexity of radiation effects in a material’s microstructure makes developing predictive models a difficult task. In principle, a complete list of all possible reactions between defect species being considered can be used to elucidate damage evolution mechanisms and its associated impact on microstructure evolution. However, a central limitation is that many models use a limited and incomplete catalog of defect energetics and associated reactions. Even for a given model, estimating its input parameters remains a challenge, especially for complex material systems. Here, we present a computational analysis to identify the extent to which defect accumulation, energetics, and irradiation conditionsmore » can be determined via forward and reverse regression models constructed and trained from large data sets produced by cluster dynamics simulations. A global sensitivity analysis, via Sobol’ indices, concisely characterizes parameter sensitivity and demonstrates how this can be connected to variability in defect evolution. Based on this analysis and depending on the definition of what constitutes the input and output spaces, forward and reverse regression models are constructed and allow for the direct calculation of defect accumulation, defect energetics, and irradiation conditions. Here, this computational analysis, exercised on a simplified cluster dynamics model, demonstrates the ability to design predictive surrogate and reduced-order models, and provides guidelines for improving model predictions within the context of forward and reverse engineering of mathematical models for radiation effects in a materials’ microstructure.« less

Electrostatic protection of the Solar Power Satellite and rectenna

NASA Technical Reports Server (NTRS)

Freeman, J. W.; Few, A. A., Jr.; Reiff, P. H.; Cooke, D.; Bohannon, J.; Haymes, B.

1979-01-01

Several features of the interactions of the solar power satellite (SPS) with its space environment were examined theoretically. The voltages produced at various surfaces due to space plasmas and the plasma leakage currents through the kapton and sapphire solar cell blankets were calculated. At geosynchronous orbit, this parasitic power loss is only 0.7%, and is easily compensated by oversizing. At low-Earth orbit, the power loss is potentially much larger (3%), and anomalous arcing is expected for the EOTV high voltage negative surfaces. Preliminary results of a three dimensional self-consistent plasma and electric field computer program are presented, confirming the validity of the predictions made from the one dimensional models. Magnetic shielding of the satellite, to reduce the power drain and to protect the solar cells from energetic electron and plasma ion bombardment is considered. It is concluded that minor modifications can allow the SPS to operate safely and efficiently in its space environment. The SPS design employed in this study is the 1978 MSFC baseline design utilizing GaAs solar cells at CR-2 and an aluminum structure.

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

Vieregg, A.G.; Bechtol, K.; Romero-Wolf, A., E-mail: avieregg@kicp.uchicago.edu, E-mail: bechtol@kicp.uchicago.edu, E-mail: andrew.romero-wolf@jpl.nasa.gov

The detection of high energy neutrinos (10{sup 15}–10{sup 20} eV) is an important step toward understanding the most energetic cosmic accelerators and would enable tests of fundamental physics at energy scales that cannot easily be achieved on Earth. In this energy range, there are two expected populations of neutrinos: the astrophysical flux observed with IceCube at lower energies (∼1 PeV) and the predicted cosmogenic flux at higher energies (∼10{sup 18} eV) . Radio detector arrays such as RICE, ANITA, ARA, and ARIANNA exploit the Askaryan effect and the radio transparency of glacial ice, which together enable enormous volumes of icemore » to be monitored with sparse instrumentation. We describe here the design for a phased radio array that would lower the energy threshold of radio techniques to the PeV scale, allowing measurement of the astrophysical flux observed with IceCube over an extended energy range. Meaningful energy overlap with optical Cherenkov telescopes could be used for energy calibration. The phased radio array design would also provide more efficient coverage of the large effective volume required to discover cosmogenic neutrinos.« less

A promising high-energy-density material.

PubMed

Zhang, Wenquan; Zhang, Jiaheng; Deng, Mucong; Qi, Xiujuan; Nie, Fude; Zhang, Qinghua

2017-08-03

High-energy density materials represent a significant class of advanced materials and have been the focus of energetic materials community. The main challenge in this field is to design and synthesize energetic compounds with a highest possible density and a maximum possible chemical stability. Here we show an energetic compound, [2,2'-bi(1,3,4-oxadiazole)]-5,5'-dinitramide, is synthesized through a two-step reaction from commercially available reagents. It exhibits a surprisingly high density (1.99 g cm -3 at 298 K), poor solubility in water and most organic solvents, decent thermal stability, a positive heat of formation and excellent detonation properties. The solid-state structural features of the synthesized compound are also investigated via X-ray diffraction and several theoretical techniques. The energetic and sensitivity properties of the explosive compound are similar to those of 2, 4, 6, 8, 10, 12-(hexanitrohexaaza)cyclododecane (CL-20), and the developed compound shows a great promise for potential applications as a high-energy density material.High energy density materials are of interest, but density is the limiting factor for many organic compounds. Here the authors show the formation of a high density energetic compound from a two-step reaction between commercially available compounds that exhibit good heat thermal stability and detonation properties.

Convection Enhances Mixing in the Southern Ocean

NASA Astrophysics Data System (ADS)

Sohail, Taimoor; Gayen, Bishakhdatta; Hogg, Andrew McC.

2018-05-01

Mixing efficiency is a measure of the energy lost to mixing compared to that lost to viscous dissipation. In a turbulent stratified fluid the mixing efficiency is often assumed constant at η = 0.2, whereas with convection it takes values closer to 1. The value of mixing efficiency when both stratified shear flow and buoyancy-driven convection are active remains uncertain. We use a series of numerical simulations to determine the mixing efficiency in an idealized Southern Ocean model. The model is energetically closed and fully resolves convection and turbulence such that mixing efficiency can be diagnosed. Mixing efficiency decreases with increasing wind stress but is enhanced by turbulent convection and by large thermal gradients in regions with a strongly stratified thermocline. Using scaling theory and the model results, we predict an overall mixing efficiency for the Southern Ocean that is significantly greater than 0.2 while emphasizing that mixing efficiency is not constant.

Convection of viscous fluids: Energetics, self-similarity, experiments, geophysical applications and analogies

NASA Technical Reports Server (NTRS)

Golitsyn, G. S.

1977-01-01

The main results were the formulas for the mean convection velocities, of a viscous fluid and for the mean temperature difference in the bulk of the convecting fluid. These were obtained: by scaling analysis of the Boussinesq equations, by analysis of the energetics of the process, and by using similarity and dimensional arguments. The last approach defines the criteria of similarity and allows the proposition of some self-similarity hypotheses. By several simple new ways, an expression for the efficiency coefficient gamma of the thermal convection was also obtained. An analogy is pointed out between non-turbulent convection of a viscous fluid and the structure of turbulence for scales less than Kolmogorov's internal viscous microscale of turbulence.

New Generation Agent Defeat Weapons: Energetic N,N'-Ethylene-Bridged Polyiodoazoles.

PubMed

Zhao, Gang; Kumar, Dheeraj; He, Chunlin; Hooper, Joseph P; Imler, Gregory H; Parrish, Damon A; Shreeve, Jean'ne M

2017-11-27

Sodium salts of iodine-rich pyrazole and imidazole with 1-(2-bromoethyl)-5-aminotetrazole are useful precursors for energetic N,N'-ethylene-bridged polyiodoazoles. Compounds 1-3 were characterized with IR, and 1 H and 13 C NMR spectroscopy as well as elemental analyses. The molecular structures of 1 and 2 were confirmed by using single crystal X-ray diffraction. Heats of formation were calculated using Gaussian 03 and detonation properties and biocidal efficiency were calculated with CHEETAH 7. The decomposition products of 1-3 destroy microbes more effectively than some previously reported biocides since the thermal decomposition occurs at below 400 °C without addition of oxidizer or combustion adjuvant. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Prospectus

PubMed Central

Parsons, Peter A.

2009-01-01

Free living organisms typically occur in harsh environments challenged by abiotic stresses of varying intensities. Taking ionizing radiation and caloric restriction as examples, environmental variation from benign to extreme gives a fitness-stress continuum where energetic efficiency, a measure of fitness, is inversely related to stress level. Hormesis occurs in benign regions for these examples. In contrast aging emphasizes survival towards the limits of survival under accumulating stress from Reactive Oxygen Species, ROS. An energetic evolutionary approach underlies an ecological aging theory based principally upon survival, which incorporates hormesis. Multiple environmental agents contributing to hormesis should be considered by those attempting to improve the quality of life by delaying the onset of senescence, so enhancing survival. Caloric restriction has wider acceptance in this process than ionizing radiation. PMID:20221282

Energetics and optimum motion of oscillating lifting surfaces of finite span

NASA Technical Reports Server (NTRS)

Ahmadi, A. R.; Widnall, S. E.

1986-01-01

In certain modes of animal propulsion in nature, such as bird flight and fish swimming, the efficiency compared to man-made vehicles is very high. In such cases, wing and tail motions are typically associated with relatively high Reynolds numbers, where viscous effects are confined to a thin boundary layer at the surface and a thin trailing wake. The propulsive forces, which are generated primarily by the inertial forces, can be calculated from potential-flow theory using linearized unsteady-wing theory (for small-amplitude oscillations). In the present study, a recently developed linearized, low-frequency, unsteady lifting-line theory is employed to calculate the (sectional and total) energetic quantities and optimum motion of an oscillating wing of finite span.

Requirement, balance and energy efficiency under two models of cropping systems in the center-south of Buenos Aires, Argentina.

NASA Astrophysics Data System (ADS)

Zamora, Martin; Barbera, Agustin; Hansson, Alejandro; Carrasco, Natalia; Domenech, Marisa

2017-04-01

In a natural ecosystem, the solar energy is the main source. However, in the agro ecosystem we should use others in order to sustain specific processes or to avoid some interactions. This energy is introduced in the agro-system not only as fossil fuel but also as inputs like fertilizers and pesticides or for agricultural machines. Since February 2011, two adjacent fields were set at Barrow Experimental Station (Lat:-38.322844, Lon:-60.25572): one of them adopting agro-ecology principles (AGROE), as biodiversity increase, polyculture with legumes, less use of agrochemicals; while the other one is based on industrial model of agriculture (ACTUAL). This model is defined by its capital intensity and dependence on massive inputs like seeds, fertilizer, and pesticides. In both fields, beef cattle and agriculture production have been implemented with different intensity. The aim of this study was to compare the demand, production, balance and energy efficiency between these two agro-systems. To do this, we use tables of energy associated with different processes and inputs. For both systems, we estimate the energetic demand used in seeds, pesticides, fertilizers and labor during the crop sequence from February 2011 to December 2015; the energy production according to grains and meat yield achieved; the energetic balance calculated as the difference between inputs and outputs of energy in the system and finally, the energy efficiency which is the ratio between the energy produced and consumed. Inputs-outputs ratios of energy were transformed into equivalent units = GJ (Gigajoules). After a sequence of seven crops, ACTUAL consumed 60 GJ, which represents 158% more energy than AGROE. Particularly, ACTUAL consumed a 72% more energy in cultivation labor, 372% more in herbicides and 10 times more energy used in fertilizers than AGROE. Even though ACTUAL produced 37% more energy than AGROE (187 GJ vs 127 GJ) in grain and meat, the energetic balance was only 12% higher. However, AGROE double the energy efficiency (5.9 vs. 3.13). AGROE was more efficient in the use of energy resources and less energy-dependent to produce goods and food. In addition, this model produces less environmental deterioration, preserve natural resources and produce food on a sustainable basis.

Potential limitations of NRC in predicting energetic requirements of beef females within western U.S. grazing systems

USDA-ARS?s Scientific Manuscript database

Assessment of beef cow energy balance and efficiency in grazing-extensive rangelands has occurred on a nominal basis over short time intervals and has not accounted for the complexity of metabolic and digestive responses; behavioral adaptations to climatic, terrain, and vegetation variables; and doc...

Diagnostics for the Analysis of Surface Chemistry Effects on Composite Energetic Material Reactions

DTIC Science & Technology

2015-10-30

integration time) and a NETZSCH STA 449 Jupiter that will allow for consistency and efficiency with its automatic 20 sample changer. (2) Together these...Purchase of the NETZSCH STA 449 Jupiter (DSC-TGA) to resolve reaction kinetics under equilibrium conditions. Images of this instrumentation are included in

Spatio-energetic cross talk in photon counting detectors: Detector model and correlated Poisson data generator.

PubMed

Taguchi, Katsuyuki; Polster, Christoph; Lee, Okkyun; Stierstorfer, Karl; Kappler, Steffen

2016-12-01

An x-ray photon interacts with photon counting detectors (PCDs) and generates an electron charge cloud or multiple clouds. The clouds (thus, the photon energy) may be split between two adjacent PCD pixels when the interaction occurs near pixel boundaries, producing a count at both of the pixels. This is called double-counting with charge sharing. (A photoelectric effect with K-shell fluorescence x-ray emission would result in double-counting as well). As a result, PCD data are spatially and energetically correlated, although the output of individual PCD pixels is Poisson distributed. Major problems include the lack of a detector noise model for the spatio-energetic cross talk and lack of a computationally efficient simulation tool for generating correlated Poisson data. A Monte Carlo (MC) simulation can accurately simulate these phenomena and produce noisy data; however, it is not computationally efficient. In this study, the authors developed a new detector model and implemented it in an efficient software simulator that uses a Poisson random number generator to produce correlated noisy integer counts. The detector model takes the following effects into account: (1) detection efficiency; (2) incomplete charge collection and ballistic effect; (3) interaction with PCDs via photoelectric effect (with or without K-shell fluorescence x-ray emission, which may escape from the PCDs or be reabsorbed); and (4) electronic noise. The correlation was modeled by using these two simplifying assumptions: energy conservation and mutual exclusiveness. The mutual exclusiveness is that no more than two pixels measure energy from one photon. The effect of model parameters has been studied and results were compared with MC simulations. The agreement, with respect to the spectrum, was evaluated using the reduced χ 2 statistics or a weighted sum of squared errors, χ red 2 (≥1), where χ red 2 =1 indicates a perfect fit. The model produced spectra with flat field irradiation that qualitatively agree with previous studies. The spectra generated with different model and geometry parameters allowed for understanding the effect of the parameters on the spectrum and the correlation of data. The agreement between the model and MC data was very strong. The mean spectra with 90 keV and 140 kVp agreed exceptionally well: χ red 2 values were 1.049 with 90 keV data and 1.007 with 140 kVp data. The degrees of cross talk (in terms of the relative increase from single pixel irradiation to flat field irradiation) were 22% with 90 keV and 19% with 140 kVp for MC simulations, while they were 21% and 17%, respectively, for the model. The covariance was in strong agreement qualitatively, although it was overestimated. The noisy data generation was very efficient, taking less than a CPU minute as opposed to CPU hours for MC simulators. The authors have developed a novel, computationally efficient PCD model that takes into account double-counting and resulting spatio-energetic correlation between PCD pixels. The MC simulation validated the accuracy.

Effect of Off-Body Laser Discharge on Drag Reduction of Hemisphere Cylinder in Supersonic Flow

NASA Technical Reports Server (NTRS)

Kianvashrad, Nadia; Knight, Doyle; Wilkinson, Stephen P.; Chou, Amanda; Horne, Robert A.; Herring, Gregory C.; Beeler, George B.; Jangda, Moazzam

2017-01-01

The interaction of an off-body laser discharge with a hemisphere cylinder in supersonic flow is investigated. The objectives are 1) experimental determination of the drag reduction and energetic efficiency of the laser discharge, and 2) assessment of the capability for accurate simulation of the interaction. The combined computational and experimental study comprises two phases. In the first phase, laser discharge in quiescent air was examined. The temporal behavior of the shock wave formed by the laser discharge was compared between experiment and simulation and good agreement is observed. In the second phase, the interaction of the laser discharge with a hemisphere cylinder was investigated numerically. Details of the pressure drag reduction and the physics of the interaction of the heated region with the bow shock are included. The drag reduction due to this interaction persisted for about five characteristic times where one characteristic time represents the time for the flow to move a distance equal to the hemisphere radius. The energetic efficiency of laser discharge for the case with 50 mJ energy absorbed by the gas is calculated as 3.22.

Energetic performance analysis of a commercial water-based photovoltaic thermal system (PV/T) under summer conditions

NASA Astrophysics Data System (ADS)

Nardi, I.; Ambrosini, D.; de Rubeis, T.; Paoletti, D.; Muttillo, M.; Sfarra, S.

2017-11-01

In the last years, the importance of integrating the production of electricity with the production of sanitary hot water led to the development of new solutions, i.e. PV/T systems. It is well known that hybrid photovoltaic-thermal systems, able to produce electricity and thermal energy at the same time with better energetic performance in comparison with two separate systems, present many advantages for application in a residential building. A PV/T is constituted generally by a common PV panel with a metallic pipe, in which fluid flows. Pipe accomplishes two roles: it absorbs the heat from the PV panel, thus increasing, or at least maintaining its efficiency; furthermore, it stores the heat for sanitary uses. In this work, the thermal and electrical efficiencies of a commercial PV/T panel have been evaluated during the summer season in different days, to assess the effect of environmental conditions on the system total efficiency. Moreover, infrared thermographic diagnosis in real time has been effected during the operating mode in two conditions: with cooling and without cooling; cooling was obtained by natural flowing water. This analysis gave information about the impact of a non-uniform temperature distribution on the thermal and electrical performance. Furthermore, measurements have been performed in two different operating modes: 1) production of solely electrical energy and 2) simultaneous production of thermal and electrical energy. Finally, total efficiency is largely increased by using a simple solar concentrator nearby the panel.

Approaches to efficiently estimate solvation and explicit water energetics in ligand binding: the use of WaterMap [WaterMap and Its Implementation in Drug Discovery

DOE PAGES

Yang, Yue; Wong, Sergio E.; Lightstone, Felice C.

2012-09-08

Solvents play quite an important role in most chemical and biological processes. It is widely accepted that the presence of water or other solvents in many chemical reactions can result in much lower energy barrier. In enzymatic catalysis, water mediated reaction pathways have been observed in various studies. In addition, different conformation flexibility and hydrogen bond patterns have been discovered for cyclic peptides in the presence of membrane and water, further illustrating the impact of solvent in biological activities such like membrane penetration. moreover, as will be discussed later in this review, water also plays a critical role in host-guestmore » chemistry and thus is essential to drug design. As such, it is not surprising that accounting for solvents is critical in drug discovery since drugs must modulate biological systems.« less

Self-assembled ultrathin nanotubes on diamond (100) surface

NASA Astrophysics Data System (ADS)

Lu, Shaohua; Wang, Yanchao; Liu, Hanyu; Miao, Mao-Sheng; Ma, Yanming

2014-04-01

Surfaces of semiconductors are crucially important for electronics, especially when the devices are reduced to the nanoscale. However, surface structures are often elusive, impeding greatly the engineering of devices. Here we develop an efficient method that can automatically explore the surface structures using structure swarm intelligence. Its application to a simple diamond (100) surface reveals an unexpected surface reconstruction featuring self-assembled carbon nanotubes arrays. Such a surface is energetically competitive with the known dimer structure under normal conditions, but it becomes more favourable under a small compressive strain or at high temperatures. The intriguing covalent bonding between neighbouring tubes creates a unique feature of carrier kinetics (that is, one dimensionality of hole states, while two dimensionality of electron states) that could lead to novel design of superior electronics. Our findings highlight that the surface plays vital roles in the fabrication of nanodevices by being a functional part of them.

Rugby and elliptical-shaped hohlraums experiments on the OMEGA laser facility

NASA Astrophysics Data System (ADS)

Tassin, Veronique; Monteil, Marie-Christine; Depierreux, Sylvie; Masson-Laborde, Paul-Edouard; Philippe, Franck; Seytor, Patricia; Fremerye, Pascale; Villette, Bruno

2017-10-01

We are pursuing on the OMEGA laser facility indirect drive implosions experiments in gas-filled rugby-shaped hohlraums in preparation for implosion plateforms on LMJ. The question of the precise wall shape of rugby hohlraum has been addressed as part of future megajoule-scale ignition designs. Calculations show that elliptical-shaped holhraum is more efficient than spherical-shaped hohlraum. There is less wall hydrodynamics and less absorption for the inner cone, provided a better control of time-dependent symmetry swings. In this context, we have conducted a series of experiments on the OMEGA laser facility. The goal of these experiments was therefore to characterize energetics with a complete set of laser-plasma interaction measurements and capsule implosion in gas-filled elliptical-shaped hohlraum with comparison with spherical-shaped hohlraum. Experiments results are discussed and compared to FCI2 radiation hydrodynamics simulations.

Composition-dependent stability of the medium-range order responsible for metallic glass formation

DOE PAGES

Zhang, Feng; Ji, Min; Fang, Xiao-Wei; ...

2014-09-18

The competition between the characteristic medium-range order corresponding to amorphous alloys and that in ordered crystalline phases is central to phase selection and morphology evolution under various processing conditions. We examine the stability of a model glass system, Cu–Zr, by comparing the energetics of various medium-range structural motifs over a wide range of compositions using first-principles calculations. Furthermore, we focus specifically on motifs that represent possible building blocks for competing glassy and crystalline phases, and we employ a genetic algorithm to efficiently identify the energetically favored decorations of each motif for specific compositions. These results show that a Bergman-type motifmore » with crystallization-resisting icosahedral symmetry is energetically most favorable in the composition range 0.63 < xCu < 0.68, and is the underlying motif for one of the three optimal glass-forming ranges observed experimentally for this binary system (Li et al., 2008). This work establishes an energy-based methodology to evaluate specific medium-range structural motifs which compete with stable crystalline nuclei in deeply undercooled liquids.« less

Direct evidence of an efficient energy transfer pathway from jellyfish carcasses to a commercially important deep-water species.

PubMed

Dunlop, Kathy M; Jones, Daniel O B; Sweetman, Andrew K

2017-12-12

Here we provide empirical evidence of the presence of an energetic pathway between jellyfish and a commercially important invertebrate species. Evidence of scavenging on jellyfish carcasses by the Norway lobster (Nephrops norvegicus) was captured during two deployments of an underwater camera system to 250-287 m depth in Sognefjorden, western Norway. The camera system was baited with two Periphylla periphylla (Scyphozoa) carcasses to simulate the transport of jellyfish detritus to the seafloor, hereby known as jelly-falls. N. norveigus rapidly located and consumed a large proportion (>50%) of the bait. We estimate that the energy input from jelly-falls may represent a significant contribution to N. norvegicus energy demand (0.21 to 10.7 times the energy required for the population of N. norvegicus in Sognefjorden). This potentially high energetic contribution from jelly-falls highlights a possible role of gelatinous material in the support of commercial fisheries. Such an energetic pathway between jelly-falls and N. norvegicus could become more important with increases in jellyfish blooms in some regions.

Energetics of swimming by the ferret: consequences of forelimb paddling.

PubMed

Fish, Frank E; Baudinette, Russell V

2008-06-01

The domestic ferret (Mustela putorius furo) swims by alternate strokes of the forelimbs. This pectoral paddling is rare among semi-aquatic mammals. The energetic implications of swimming by pectoral paddling were examined by kinematic analysis and measurement of oxygen consumption. Ferrets maintained a constant stroke frequency, but increased swimming speed by increasing stroke amplitude. The ratio of swimming velocity to foot stroke velocity was low, indicating a low propulsive efficiency. Metabolic rate increased linearly with increasing speed. The cost of transport decreased with increasing swimming speed to a minimum of 3.59+/-0.28 J N(-1) m(-1) at U=0.44 m s(-1). The minimum cost of transport for the ferret was greater than values for semi-aquatic mammals using hind limb paddling, but lower than the minimum cost of transport for the closely related quadrupedally paddling mink. Differences in energetic performance may be due to the amount of muscle recruited for propulsion and the interrelationship hydrodynamic drag and interference between flow over the body surface and flow induced by propulsive appendages.

Improved Energetic-Behaviors of Spontaneously Surface-Mediated Al Particles.

PubMed

Kim, Dong Won; Kim, Kyung Tae; Min, Tae Sik; Kim, Kyung Ju; Kim, Soo Hyung

2017-07-05

Surface-mediated Al particles are synthesized by incorporating the stable fluoride reaction of Al-F on a pure Al surface in place of natural oxides. Al particles with fluoro-polymer directly adsorbed on the surface show a considerable capability to overcome limitations caused by the surface oxide. Here, we report that Al fluoride when spontaneously formed at the poly(vinylidene fluoride)/Al interface serves as an oxidation-protecting layer while also providing an efficient combustion path along which the internal Al rapidly reacts with external oxygen atoms. Both thermal oxidation and explosion tests of the poly(vinylidene fluoride)/Al particles show superior exothermic enthalpy energy and simultaneously rapid oxidation reactivity compared to those of Al 2 O 3 passivated Al particles. It is clearly elucidated that the enhanced energetic properties of Al particles mediated by poly(vinylidene fluoride) originate from the extraordinary pyrolytic process of Al fluoride occurring at a low temperature compared to Al 2 O 3 passivated Al. Hence, these results clarify that the surface mediation of Al particles can be significantly considered as advanced technology for many energetic applications.

Observational test of shock drift and Fermi acceleration on a seed particle population upstream of earth's bow shock

NASA Technical Reports Server (NTRS)

Anagnostopoulos, G. C.; Sarris, E. T.; Krimigis, S. M.

1988-01-01

The efficiency of proposed shock acceleration mechanisms as they operate at the bow shock in the presence of a seed energetic particle population was examined using data from simultaneous observations of energetic solar-origin protons, carried out by the IMP 7 and 8 spacecraft in the vicinity of the quasi-parallel (dawn) and quasi-perpendicular (dusk) regions of the earth's bow shock, respectively. The results of observations (which include acceleration effects in the intensities of the energetic protons with energies as high as 4 MeV observed at the vicinity of the dusk bow shock, but no evidence for any particle acceleration at the energy equal to or above 50 keV at the dawn side of the bow shock) indicate that the acceleration of a seed particle population occurs only at the quasi-perpendicular bow shock through shock drift acceleration and that the major source of observed upstream ion populations is the leakage of magnetospheric ions of energies not less than 50 keV, rather than in situ acceleration.

Interaction of high-energy beams with magnetized plasma: feasibility study for laboratory experiments

NASA Astrophysics Data System (ADS)

Roytershteyn, V.; Delzanno, G. L.; Dorfman, S. E.; Cattell, C. A.; Van Compernolle, B.

2017-12-01

We discuss plans for an experiment that will investigate interaction of energetic electron beam with magnetized plasma. The planned experiment will be conducted on the Large Plasma Device (LAPD) at UCLA and will utilize a variable-energy (0.1-1) MeV electron beam. Such energetic beams have recently attracted renewed attention as a basis for a number of active experiments in space, largely due to possibility of overcoming limitations imposed by spacecraft charging in low-density (e.g. magnetospheric) plasma. In this talk, we will discuss theoretical and computation studies of the plasma modes excited by the beam and beam stability. Energetic beams radiate both whistler and high-frequency R-X mode via Cherenkov resonances, with the relative efficiency of coupling to R-X mode increasing with beam energy. The stability of a finite-size, modulated beam (as produced by the available beam sources) is investigated and relative significance of instabilities and direct radiation is discussed. Special attention will be paid to discussing how laboratory experiments relate to conditions in space.

Solar hydrogen production using epitaxial SrTiO 3 on a GaAs photovoltaic

DOE PAGES

Kornblum, L.; Fenning, D. P.; Faucher, J.; ...

2016-12-22

We demonstrate an oxide-stabilized III–V photoelectrode architecture for solar fuel production from water in neutral pH. For this tunable architecture we demonstrate 100% Faradaic efficiency for hydrogen evolution, and incident photon-to-current efficiencies (IPCE) exceeding 50%. High IPCE for hydrogen evolution is a consequence of the low-loss interface achieved via epitaxial growth of a thin oxide on a GaAs solar cell. Developing optimal energetic alignment across the interfaces of the photoelectrode using well-established III–V technology is key to obtaining high performance. This advance constitutes a critical milestone towards efficient, unassisted fuel production from solar energy.

[A Generator of Mono-energetic Electrons for Response Test of Charged Particle Detectors.].

PubMed

Matsubayashi, Fumiyasu; Yoshida, Katsuhide; Maruyama, Koichi

2005-01-01

We designed and fabricated a generator of mono-energetic electrons for the response test of charged particle detectors, which is used to measure fragmented particles of the carbon beam for cancer therapy. Mono-energetic electrons are extracted from (90)Sr by analyzing the energy of beta rays in the generator with a magnetic field. We evaluated performance parameters of the generator such as the absolute energy, the energy resolution and the counting rates of extracted electrons. The generator supplies mono-energetic electrons from 0.5MeV to 1.7MeV with the energy resolution of 20% in FWHM at higher energies than 1.0MeV. The counting rate of electrons is 400cpm at the maximum when the activity of (90)Sr is 298kBq. The generator was used to measure responses of fragmented-particle detectors and to determine the threshold energy of the detectors. We evaluated the dependence of pulse height variation on the detector position and the threshold energy by using the generator. We concluded this generator is useful for the response test of general charged particle detectors.

Testing an Emerging Paradigm in Migration Ecology Shows Surprising Differences in Efficiency between Flight Modes

PubMed Central

Duerr, Adam E.; Miller, Tricia A.; Lanzone, Michael; Brandes, Dave; Cooper, Jeff; O'Malley, Kieran; Maisonneuve, Charles; Tremblay, Junior; Katzner, Todd

2012-01-01

To maximize fitness, flying animals should maximize flight speed while minimizing energetic expenditure. Soaring speeds of large-bodied birds are determined by flight routes and tradeoffs between minimizing time and energetic costs. Large raptors migrating in eastern North America predominantly glide between thermals that provide lift or soar along slopes or ridgelines using orographic lift (slope soaring). It is usually assumed that slope soaring is faster than thermal gliding because forward progress is constant compared to interrupted progress when birds pause to regain altitude in thermals. We tested this slope-soaring hypothesis using high-frequency GPS-GSM telemetry devices to track golden eagles during northbound migration. In contrast to expectations, flight speed was slower when slope soaring and eagles also were diverted from their migratory path, incurring possible energetic costs and reducing speed of progress towards a migratory endpoint. When gliding between thermals, eagles stayed on track and fast gliding speeds compensated for lack of progress during thermal soaring. When thermals were not available, eagles minimized migration time, not energy, by choosing energetically expensive slope soaring instead of waiting for thermals to develop. Sites suited to slope soaring include ridges preferred for wind-energy generation, thus avian risk of collision with wind turbines is associated with evolutionary trade-offs required to maximize fitness of time-minimizing migratory raptors. PMID:22558166

Enhanced Scattering of Diffuse Ions on Front of the Earth's Quasi-Parallel Bow Shock: a Case Study

NASA Astrophysics Data System (ADS)

Kis, A.; Matsukiyo, S.; Otsuka, F.; Hada, T.; Lemperger, I.; Dandouras, I. S.; Barta, V.; Facsko, G. I.

2017-12-01

In the analysis we present a case study of three energetic upstream ion events at the Earth's quasi-parallel bow shock based on multi-spacecraft data recorded by Cluster. The CIS-HIA instrument onboard Cluster provides partial energetic ion densities in 4 energy channels between 10 and 32 keV.The difference of the partial ion densities recorded by the individual spacecraft at various distances from the bow shock surface makes possible the determination of the spatial gradient of energetic ions.Using the gradient values we determined the spatial profile of the energetic ion partial densities as a function of distance from the bow shock and we calculated the e-folding distance and the diffusion coefficient for each event and each ion energy range. Results show that in two cases the scattering of diffuse ions takes place in a normal way, as "by the book", and the e-folding distance and diffusion coefficient values are comparable with previous results. On the other hand, in the third case the e-folding distance and the diffusion coefficient values are significantly lower, which suggests that in this case the scattering process -and therefore the diffusive shock acceleration (DSA) mechanism also- is much more efficient. Our analysis provides an explanation for this "enhanced" scattering process recorded in the third case.

Testing an emerging paradigm in migration ecology shows surprising differences in efficiency between flight modes.

PubMed

Duerr, Adam E; Miller, Tricia A; Lanzone, Michael; Brandes, Dave; Cooper, Jeff; O'Malley, Kieran; Maisonneuve, Charles; Tremblay, Junior; Katzner, Todd

2012-01-01

To maximize fitness, flying animals should maximize flight speed while minimizing energetic expenditure. Soaring speeds of large-bodied birds are determined by flight routes and tradeoffs between minimizing time and energetic costs. Large raptors migrating in eastern North America predominantly glide between thermals that provide lift or soar along slopes or ridgelines using orographic lift (slope soaring). It is usually assumed that slope soaring is faster than thermal gliding because forward progress is constant compared to interrupted progress when birds pause to regain altitude in thermals. We tested this slope-soaring hypothesis using high-frequency GPS-GSM telemetry devices to track golden eagles during northbound migration. In contrast to expectations, flight speed was slower when slope soaring and eagles also were diverted from their migratory path, incurring possible energetic costs and reducing speed of progress towards a migratory endpoint. When gliding between thermals, eagles stayed on track and fast gliding speeds compensated for lack of progress during thermal soaring. When thermals were not available, eagles minimized migration time, not energy, by choosing energetically expensive slope soaring instead of waiting for thermals to develop. Sites suited to slope soaring include ridges preferred for wind-energy generation, thus avian risk of collision with wind turbines is associated with evolutionary trade-offs required to maximize fitness of time-minimizing migratory raptors.

High Throughput Engineering to Revitalize a Vestigial Electron Transfer Pathway in Bacterial Photosynthetic Reaction Centers*

PubMed Central

Faries, Kaitlyn M.; Kressel, Lucas L.; Wander, Marc J.; Holten, Dewey; Laible, Philip D.; Kirmaier, Christine; Hanson, Deborah K.

2012-01-01

Photosynthetic reaction centers convert light energy into chemical energy in a series of transmembrane electron transfer reactions, each with near 100% yield. The structures of reaction centers reveal two symmetry-related branches of cofactors (denoted A and B) that are functionally asymmetric; purple bacterial reaction centers use the A pathway exclusively. Previously, site-specific mutagenesis has yielded reaction centers capable of transmembrane charge separation solely via the B branch cofactors, but the best overall electron transfer yields are still low. In an attempt to better realize the architectural and energetic factors that underlie the directionality and yields of electron transfer, sites within the protein-cofactor complex were targeted in a directed molecular evolution strategy that implements streamlined mutagenesis and high throughput spectroscopic screening. The polycistronic approach enables efficient construction and expression of a large number of variants of a heteroligomeric complex that has two intimately regulated subunits with high sequence similarity, common features of many prokaryotic and eukaryotic transmembrane protein assemblies. The strategy has succeeded in the discovery of several mutant reaction centers with increased efficiency of the B pathway; they carry multiple substitutions that have not been explored or linked using traditional approaches. This work expands our understanding of the structure-function relationships that dictate the efficiency of biological energy-conversion reactions, concepts that will aid the design of bio-inspired assemblies capable of both efficient charge separation and charge stabilization. PMID:22247556

Modeling Electrostatic Fields Generated by Internal Charging of Materials in Space Radiation Environments

NASA Technical Reports Server (NTRS)

Minow, Joseph I.

2011-01-01

Internal charging is a risk to spacecraft in energetic electron environments. DICTAT, NU MIT computational codes are the most widely used engineering tools for evaluating internal charging of insulator materials exposed to these environments. Engineering tools are designed for rapid evaluation of ESD threats, but there is a need for more physics based models for investigating the science of materials interactions with energetic electron environments. Current tools are limited by the physics included in the models and ease of user implementation .... additional development work is needed to improve models.

Quantum chemical study of the mechanism of action of vitamin K epoxide reductase (VKOR)

NASA Astrophysics Data System (ADS)

Deerfield, David, II; Davis, Charles H.; Wymore, Troy; Stafford, Darrel W.; Pedersen, Lee G.

Possible model, but simplistic, mechanisms for the action of vitamin K epoxide reductase (VKOR) are investigated with quantum mechanical methods (B3LYP/6-311G**). The geometries of proposed model intermediates in the mechanisms are energy optimized. Finally, the energetics of the proposed (pseudo-enzymatic) pathways are compared. We find that the several pathways are all energetically feasible. These results will be useful for designing quantum mechanical/molecular mechanical method (QM/MM) studies of the enzymatic pathway once three-dimensional structural data are determined and available for VKOR.

Development towards a fast ion loss detector for the reversed field pinch.

PubMed

Bonofiglo, P J; Anderson, J K; Almagri, A F; Kim, J; Clark, J; Capecchi, W; Sears, S H; Egedal, J

2016-11-01

A fast ion loss detector has been constructed and implemented on the Madison Symmetric Torus (MST) to investigate energetic ion losses and transport due to energetic particle and MHD instabilities. The detector discriminates particle orbits solely on pitch and consists of two thin-foil, particle collecting plates that are symmetric with respect to the device aperture. One plate collects fast ion signal, while the second aids in the minimization of background and noise effects. Initial measurements are reported along with suggestions for the next design phase of the detector.

Invariance of single-file water mobility in gramicidin-like peptidic pores as function of pore length.

PubMed

Portella, Guillem; Pohl, Peter; de Groot, Bert L

2007-06-01

We investigated the structural and energetic determinants underlying water permeation through peptidic nanopores, motivated by recent experimental findings that indicate that water mobility in single-file water channels displays nonlinear length dependence. To address the molecular mechanism determining the observed length dependence, we studied water permeability in a series of designed gramicidin-like channels of different length using atomistic molecular dynamics simulations. We found that within the studied range of length the osmotic water permeability is independent of pore length. This result is at variance with textbook models, where the relationship is assumed to be linear. Energetic analysis shows that loss of solvation rather than specific water binding sites in the pore form the main energetic barrier for water permeation, consistent with our dynamics results. For this situation, we propose a modified expression for osmotic permeability that fully takes into account water motion collectivity and does not depend on the pore length. Different schematic barrier profiles are discussed that explain both experimental and computational interpretations, and we propose a set of experiments aimed at validation of the presented results. Implications of the results for the design of peptidic channels with desired permeation characteristics are discussed.

Turbulence, Magnetic Reconnection in Turbulent Fluids and Energetic Particle Acceleration

NASA Astrophysics Data System (ADS)

Lazarian, A.; Vlahos, L.; Kowal, G.; Yan, H.; Beresnyak, A.; de Gouveia Dal Pino, E. M.

2012-11-01

Turbulence is ubiquitous in astrophysics. It radically changes many astrophysical phenomena, in particular, the propagation and acceleration of cosmic rays. We present the modern understanding of compressible magnetohydrodynamic (MHD) turbulence, in particular its decomposition into Alfvén, slow and fast modes, discuss the density structure of turbulent subsonic and supersonic media, as well as other relevant regimes of astrophysical turbulence. All this information is essential for understanding the energetic particle acceleration that we discuss further in the review. For instance, we show how fast and slow modes accelerate energetic particles through the second order Fermi acceleration, while density fluctuations generate magnetic fields in pre-shock regions enabling the first order Fermi acceleration of high energy cosmic rays. Very importantly, however, the first order Fermi cosmic ray acceleration is also possible in sites of magnetic reconnection. In the presence of turbulence this reconnection gets fast and we present numerical evidence supporting the predictions of the Lazarian and Vishniac (Astrophys. J. 517:700-718, 1999) model of fast reconnection. The efficiency of this process suggests that magnetic reconnection can release substantial amounts of energy in short periods of time. As the particle tracing numerical simulations show that the particles can be efficiently accelerated during the reconnection, we argue that the process of magnetic reconnection may be much more important for particle acceleration than it is currently accepted. In particular, we discuss the acceleration arising from reconnection as a possible origin of the anomalous cosmic rays measured by Voyagers as well as the origin cosmic ray excess in the direction of Heliotail.

Design of optimal nonlinear network controllers for Alzheimer's disease.

PubMed

Sanchez-Rodriguez, Lazaro M; Iturria-Medina, Yasser; Baines, Erica A; Mallo, Sabela C; Dousty, Mehdy; Sotero, Roberto C

2018-05-01

Brain stimulation can modulate the activity of neural circuits impaired by Alzheimer's disease (AD), having promising clinical benefit. However, all individuals with the same condition currently receive identical brain stimulation, with limited theoretical basis for this generic approach. In this study, we introduce a control theory framework for obtaining exogenous signals that revert pathological electroencephalographic activity in AD at a minimal energetic cost, while reflecting patients' biological variability. We used anatomical networks obtained from diffusion magnetic resonance images acquired by the Alzheimer's Disease Neuroimaging Initiative (ADNI) as mediators for the interaction between Duffing oscillators. The nonlinear nature of the brain dynamics is preserved, given that we extend the so-called state-dependent Riccati equation control to reflect the stimulation objective in the high-dimensional neural system. By considering nonlinearities in our model, we identified regions for which control inputs fail to correct abnormal activity. There are changes to the way stimulated regions are ranked in terms of the energetic cost of controlling the entire network, from a linear to a nonlinear approach. We also found that limbic system and basal ganglia structures constitute the top target locations for stimulation in AD. Patients with highly integrated anatomical networks-namely, networks having low average shortest path length, high global efficiency-are the most suitable candidates for the propagation of stimuli and consequent success on the control task. Other diseases associated with alterations in brain dynamics and the self-control mechanisms of the brain can be addressed through our framework.

The Effect of Drag and Attachment Site of External Tags on Swimming Eels: Experimental Quantification and Evaluation Tool

PubMed Central

Tudorache, Christian; Burgerhout, Erik; Brittijn, Sebastiaan; van den Thillart, Guido

2014-01-01

Telemetry studies on aquatic animals often use external tags to monitor migration patterns and help to inform conservation effort. However, external tags are known to impair swimming energetics dramatically in a variety of species, including the endangered European eel. Due to their high swimming efficiency, anguilliform swimmers are very susceptibility for added drag. Using an integration of swimming physiology, behaviour and kinematics, we investigated the effect of additional drag and site of externally attached tags on swimming mode and costs. The results show a significant effect of a) attachment site and b) drag on multiple energetic parameters, such as Cost Of Transport (COT), critical swimming speed (Ucrit) and optimal swimming speed (Uopt), possibly due to changes in swimming kinematics. Attachment at 0.125 bl from the tip of the snout is a better choice than at the Centre Of Mass (0.35 bl), as it is the case in current telemetry studies. Quantification of added drag effect on COT and Ucrit show a (limited) correlation, suggesting that the Ucrit test can be used for evaluating external tags for telemetry studies until a certain threshold value. Uopt is not affected by added drag, validating previous findings of telemetry studies. The integrative methodology and the evaluation tool presented here can be used for the design of new studies using external telemetry tags, and the (re-) evaluation of relevant studies on anguilliform swimmers. PMID:25409179

The Effect of Moisture on the Hydrolysis of Basic Salts.

PubMed

Shi, Xiaoyang; Xiao, Hang; Chen, Xi; Lackner, Klaus S

2016-12-19

A great deal of information exists concerning the hydration of ions in bulk water. Much less noticeable, but equally ubiquitous is the hydration of ions holding on to several water molecules in nanoscopic pores or in natural air at low relative humidity. Such hydration of ions with a high ratio of ions to water molecules (up to 1:1) are essential in determining the energetics of many physical and chemical systems. Herein, we present a quantitative analysis of the energetics of ion hydration in nanopores based on molecular modeling of a series of basic salts associated with different numbers of water molecules. The results show that the degree of hydrolysis of basic salts in the presence of a few water molecules is significantly different from that in bulk water. The reduced availability of water molecules promotes the hydrolysis of divalent and trivalent basic ions (S 2 - , CO 3 2- , SO 3 2- , HPO 4 2- , SO 4 2- , PO 4 3- ), which produces lower valent ions (HS - , HCO 3 - , HSO 3 - , H 2 PO 4 - , HSO 4 - , HPO 4 2- ) and OH - ions. However, reducing the availability of water inhibits the hydrolysis of monovalent basic ions (CN - , HS - ). This finding sheds some light on a vast number of chemical processes in the atmosphere and on solid porous surfaces. The discovery has wide potential applications including designing efficient absorbents for acidic gases. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

The effect of drag and attachment site of external tags on swimming eels: experimental quantification and evaluation tool.

PubMed

Tudorache, Christian; Burgerhout, Erik; Brittijn, Sebastiaan; van den Thillart, Guido

2014-01-01

Telemetry studies on aquatic animals often use external tags to monitor migration patterns and help to inform conservation effort. However, external tags are known to impair swimming energetics dramatically in a variety of species, including the endangered European eel. Due to their high swimming efficiency, anguilliform swimmers are very susceptibility for added drag. Using an integration of swimming physiology, behaviour and kinematics, we investigated the effect of additional drag and site of externally attached tags on swimming mode and costs. The results show a significant effect of a) attachment site and b) drag on multiple energetic parameters, such as Cost Of Transport (COT), critical swimming speed (Ucrit) and optimal swimming speed (Uopt), possibly due to changes in swimming kinematics. Attachment at 0.125 bl from the tip of the snout is a better choice than at the Centre Of Mass (0.35 bl), as it is the case in current telemetry studies. Quantification of added drag effect on COT and Ucrit show a (limited) correlation, suggesting that the Ucrit test can be used for evaluating external tags for telemetry studies until a certain threshold value. Uopt is not affected by added drag, validating previous findings of telemetry studies. The integrative methodology and the evaluation tool presented here can be used for the design of new studies using external telemetry tags, and the (re-) evaluation of relevant studies on anguilliform swimmers.

An energetics-based honeybee nectar-foraging model used to assess the potential for landscape-level pesticide exposure dilution

PubMed Central

Focks, Andreas; Belgers, Dick; van der Steen, Jozef J.M.; Boesten, Jos J.T.I.; Roessink, Ivo

2016-01-01

Estimating the exposure of honeybees to pesticides on a landscape scale requires models of their spatial foraging behaviour. For this purpose, we developed a mechanistic, energetics-based model for a single day of nectar foraging in complex landscape mosaics. Net energetic efficiency determined resource patch choice. In one version of the model a single optimal patch was selected each hour. In another version, recruitment of foragers was simulated and several patches could be exploited simultaneously. Resource availability changed during the day due to depletion and/or intrinsic properties of the resource (anthesis). The model accounted for the impact of patch distance and size, resource depletion and replenishment, competition with other nectar foragers, and seasonal and diurnal patterns in availability of nectar-providing crops and wild flowers. From the model we derived simple rules for resource patch selection, e.g., for landscapes with mass-flowering crops only, net energetic efficiency would be proportional to the ratio of the energetic content of the nectar divided by distance to the hive. We also determined maximum distances at which resources like oilseed rape and clover were still energetically attractive. We used the model to assess the potential for pesticide exposure dilution in landscapes of different composition and complexity. Dilution means a lower concentration in nectar arriving at the hive compared to the concentration in nectar at a treated field and can result from foraging effort being diverted away from treated fields. Applying the model for all possible hive locations over a large area, distributions of dilution factors were obtained that were characterised by their 90-percentile value. For an area for which detailed spatial data on crops and off-field semi-natural habitats were available, we tested three landscape management scenarios that were expected to lead to exposure dilution: providing alternative resources than the target crop (oilseed rape) in the form of (i) other untreated crop fields, (ii) flower strips of different widths at field edges (off-crop in-field resources), and (iii) resources on off-field (semi-natural) habitats. For both model versions, significant dilution occurred only when alternative resource patches were equal or more attractive than oilseed rape, nearby and numerous and only in case of flower strips and off-field habitats. On an area-base, flower strips were more than one order of magnitude more effective than off-field habitats, the main reason being that flower strips had an optimal location. The two model versions differed in the predicted number of resource patches exploited over the day, but mainly in landscapes with numerous small resource patches. In landscapes consisting of few large resource patches (crop fields) both versions predicted the use of a small number of patches. PMID:27602273

A proposed simulation method for directed self-assembly of nanographene

NASA Astrophysics Data System (ADS)

Geraets, J. A.; Baldwin, J. P. C.; Twarock, R.; Hancock, Y.

2017-09-01

A methodology for predictive kinetic self-assembly modeling of bottom-up chemical synthesis of nanographene is proposed. The method maintains physical transparency in using a novel array format to efficiently store molecule information and by using array operations to determine reaction possibilities. Within a minimal model approach, the parameter space for the bond activation energies (i.e. molecule functionalization) at fixed reaction temperature and initial molecule concentrations is explored. Directed self-assembly of nanographene from functionalized tetrabenzanthracene and benzene is studied with regions in the activation energy phase-space showing length-to-width ratio tunability. The degree of defects and reaction reproducibility in the simulations is also determined, with the rate of functionalized benzene addition providing additional control of the dimension and quality of the nanographene. Comparison of the reaction energetics to available density functional theory data suggests the synthesis may be experimentally tenable using aryl-halide cross-coupling and noble metal surface-assisted catalysis. With full access to the intermediate reaction network and with dynamic coupling to density functional theory-informed tight-binding simulation, the method is proposed as a computationally efficient means towards detailed simulation-driven design of new nanographene systems.

OLTARIS: An Efficient Web-Based Tool for Analyzing Materials Exposed to Space Radiation

NASA Technical Reports Server (NTRS)

Slaba, Tony; McMullen, Amelia M.; Thibeault, Sheila A.; Sandridge, Chris A.; Clowdsley, Martha S.; Blatting, Steve R.

2011-01-01

The near-Earth space radiation environment includes energetic galactic cosmic rays (GCR), high intensity proton and electron belts, and the potential for solar particle events (SPE). These sources may penetrate shielding materials and deposit significant energy in sensitive electronic devices on board spacecraft and satellites. Material and design optimization methods may be used to reduce the exposure and extend the operational lifetime of individual components and systems. Since laboratory experiments are expensive and may not cover the range of particles and energies relevant for space applications, such optimization may be done computationally with efficient algorithms that include the various constraints placed on the component, system, or mission. In the present work, the web-based tool OLTARIS (On-Line Tool for the Assessment of Radiation in Space) is presented, and the applicability of the tool for rapidly analyzing exposure levels within either complicated shielding geometries or user-defined material slabs exposed to space radiation is demonstrated. An example approach for material optimization is also presented. Slabs of various advanced multifunctional materials are defined and exposed to several space radiation environments. The materials and thicknesses defining each layer in the slab are then systematically adjusted to arrive at an optimal slab configuration.

Thermoelectronic laser energy conversion for power transmission in space

NASA Technical Reports Server (NTRS)

Britt, E. J.; Yuen, C.

1977-01-01

Long distance transmission of power in space by means of laser beams is an attractive concept because of the very narrow beam divergence. Such a system requires efficient means to both generate the laser beam and to convert the light energy in the beam into useful electric output at the receiver. A plasma-type device known as a Thermo-Electronic Laser Energy Converter (TELEC) has been studied as a method of converting a 10.6 micron CO2 laser beam into electric power. In the TELEC process, electromagnetic radiation is absorbed directly in the plasma electrons producing a high electron temperature. The energetic electrons diffuse out of the plasma striking two electrodes with different areas. Since more electrons are collected by the larger electrode there is a net transport of current, and an EMF is generated in the external circuit. The smaller electrode functions as an electron emitter to provide continuity of the current. Waste heat is rejected from the large electrode. A design for a TELEC system with an input 1 MW laser beam was developed as part of the study. The calculated performance of the system showed an overall efficiency of about 42%.

Boosting Photon Harvesting in Organic Solar Cells with Highly Oriented Molecular Crystals via Graphene-Organic Heterointerface.

PubMed

Jo, Sae Byeok; Kim, Hyun Ho; Lee, Hansol; Kang, Boseok; Lee, Seongkyu; Sim, Myungsun; Kim, Min; Lee, Wi Hyoung; Cho, Kilwon

2015-08-25

Photon harvesting in organic solar cells is highly dependent on the anisotropic nature of the optoelectronic properties of photoactive materials. Here, we demonstrate an efficient approach to dramatically enhance photon harvesting in planar heterojunction solar cells by using a graphene-organic heterointerface. A large area, residue-free monolayer graphene is inserted at anode interface to serve as an atomically thin epitaxial template for growing highly orientated pentacene crystals with lying-down orientation. This anisotropic orientation enhances the overall optoelectronic properties, including light absorption, charge carrier lifetime, interfacial energetics, and especially the exciton diffusion length. Spectroscopic and crystallographic analysis reveal that the lying-down orientation persists until a thickness of 110 nm, which, along with increased exciton diffusion length up to nearly 100 nm, allows the device optimum thickness to be doubled to yield significantly enhanced light absorption within the photoactive layers. The resultant photovoltaic performance shows simultaneous increment in Voc, Jsc, and FF, and consequently a 5 times increment in the maximum power conversion efficiency than the equivalent devices without a graphene layer. The present findings indicate that controlling organic-graphene heterointerface could provide a design strategy of organic solar cell architecture for boosting photon harvesting.

Implication of mountain shading and topographic scaling on energy for snowmelt

NASA Astrophysics Data System (ADS)

Marsh, C.; Pomeroy, J. W.; Spiteri, R.

2011-12-01

In many parts of the world, snowmelt energetics are dominated by incoming solar radiation. This is the case in the Canadian Rockies, where sunny winters result in high insolation. Solar irradiance on the snow surface is affected by the atmosphere, the slope and aspect of the immediate topography, and shading from surrounding terrain. Errors in estimating solar irradiation are cumulative over a season and can lead to large errors in snowmelt predictions. Adaptive triangular meshes, a type of unstructured triangular mesh that can adapt to fine-scale processes during model runtime, are more efficient in their use of DEM data than fixed grids when producing solar irradiance maps. An experimental design to calculate the effect of changes in DEM resolution on adaptive mesh irradiation calculations and implication for snowmelt is presented. As part of this experiment, the accuracy of these techniques is compared to measurements of mountain shadows and solar irradiance collected in Marmot Creek Research Basin, Alberta. Time-lapse digital cameras and networks of radiometers provide datasets for diagnosis of model accuracy. Further improvements in computational efficiency are achieved by taking advantage of parallel processing using graphical processing units (GPUs) is also discussed.

Invited Review Article: Development of crystal lenses for energetic photons

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

Smither, Robert K.

2014-08-15

This paper follows the development of crystal diffraction lenses designed to focus energetic photons. It begins with the search for a solution to the astrophysics problem of how to detect weak astrophysics sources of gamma rays and x-rays. This led to the basic designs for a lens and to the understanding of basic limitations of lens design. The discussion of the development of crystal diffraction lenses is divided into two parts: lenses using crystals with mosaic structure, and lenses that use crystals with curved crystal planes. This second group divides into two sub-groups: (1) Curved crystals that are used tomore » increase the acceptance angle of the diffraction of a monochromatic beam and to increase the energy bandwidth of the diffraction. (2) Curved crystals used to focus gamma ray beams. The paper describes how these two types of crystals affect the design of the corresponding crystal lenses in different fields: astrophysics, medical imaging, detection of weak, distant, gamma-ray sources, etc. The designs of crystal lenses for these applications are given in enough detail to allow the reader to design a lens for his own application.« less

Incipient motion in gravel bed rivers due to energetic turbulent flow events

NASA Astrophysics Data System (ADS)

Valyrakis, Manousos

2013-04-01

This contribution reviews recent developments and contributions in the field of incipient motion and entrainment of coarse sediment grains due to the action of near bed turbulent flows. Specifically, traditional shear based spatio-temporally averaged concepts and instantaneous stress tensor criteria are contrasted to the newly proposed flow event based impulse and energy criteria. The energy criterion, suggests that only sufficiently energetic turbulent events can remove a particle from its resting position on the bed surface and result on its entrainment downstream. While the impulse and energy criteria are interconnected through the energy-impulse equation, the later appears to be more versatile and appropriate for generalising to sediment transport. These flow event based criteria have a sound physical basis for describing the intermittent character of particle entrainment as inherited by near boundary turbulence at near threshold conditions. These criteria can be derived from fundamental laws of physics such as Newtonian classical mechanics and the Lagrange equations respectively. The energetic events that are capable of performing geomorphic work at the scale of individual particles are shown to follow a power law, meaning that more energetic events (capable of removing larger stones) are expected to occur less frequently. In addition, this paper discusses the role of the coefficient of energy transfer efficiency introduced in the energy equation for particle entrainment. A preliminary investigation from analysis of a series of mobile grain flume experiments illustrates that different signatures of turbulence or sequence of flow structures may have different effectiveness towards particle transport. Characteristic cases of specific energetic flow events and the associated particle response are shown and classified with regard to the time required for complete entrainment. Finally these findings are commented with respect to the implications for sediment transport.

Energy efficient quantum machines

NASA Astrophysics Data System (ADS)

Abah, Obinna; Lutz, Eric

2017-05-01

We investigate the performance of a quantum thermal machine operating in finite time based on shortcut-to-adiabaticity techniques. We compute efficiency and power for a paradigmatic harmonic quantum Otto engine by taking the energetic cost of the shortcut driving explicitly into account. We demonstrate that shortcut-to-adiabaticity machines outperform conventional ones for fast cycles. We further derive generic upper bounds on both quantities, valid for any heat engine cycle, using the notion of quantum speed limit for driven systems. We establish that these quantum bounds are tighter than those stemming from the second law of thermodynamics.

Tunable generation and adsorption of energetic compounds in the vapor phase at trace levels: a tool for testing and developing sensitive and selective substrates for explosive detection.

PubMed

Bonnot, Karine; Bernhardt, Pierre; Hassler, Dominique; Baras, Christian; Comet, Marc; Keller, Valérie; Spitzer, Denis

2010-04-15

Among various methods for landmine detection, as well as soil and water pollution monitoring, the detection of explosive compounds in air is becoming an important and inevitable challenge for homeland security applications, due to the threatening increase in terrorist explosive bombs used against civil populations. However, in the last case, there is a crucial need for the detection of vapor phase traces or subtraces (in the ppt range or even lower). A novel and innovative generator for explosive trace vapors was designed and developed. It allowed the generation of theoretical concentrations as low as 0.24 ppq for hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) in air according to Clapeyron equations. The accurate generation of explosive concentrations at subppt levels was verified for RDX and 2,4,6-trinitrotoluene (TNT) using a gas chromatograph coupled to an electron capture detector (GC-ECD). First, sensing material experiments were conducted on a nanostructured tungsten oxide. The sensing efficiency of this material determined as its adsorption capacity toward 54 ppb RDX was calculated to be five times higher than the sensing efficiency of a 54 ppb TNT vapor. The material sensing efficiency showed no dependence on the mass of material used. The results showed that the device allowed the calibration and discrimination between materials for highly sensitive and accurate sensing detection in air of low vapor pressure explosives such as TNT or RDX at subppb levels. The designed device and method showed promising features for nanosensing applications in the field of ultratrace explosive detection. The current perspectives are to decrease the testing scale and the detection levels to ppt or subppt concentration of explosives in air.

Reformulation of Nonlinear Anisotropic Crystal Elastoplasticity for Impact Physics

DTIC Science & Technology

2015-03-01

interest include metals, ceramics , minerals, and energetic materials . Accurate, efficient, stable, and thermodynamically consistent models for...Clayton JD. Phase field theory and analysis of pressure-shear induced amorphization and failure in boron carbide ceramic . AIMS Materials Science. 2014;1...of Nonlinear Anisotropic Crystal Elastoplasticity for Impact Physics by JD Clayton Weapons and Materials Research Directorate, ARL

Metabolic Cost, Mechanical Work, and Efficiency during Normal Walking in Obese and Normal-Weight Children

ERIC Educational Resources Information Center

Huang, Liang; Chen, Peijie; Zhuang, Jie; Zhang, Yanxin; Walt, Sharon

2013-01-01

Purpose: This study aimed to investigate the influence of childhood obesity on energetic cost during normal walking and to determine if obese children choose a walking strategy optimizing their gait pattern. Method: Sixteen obese children with no functional abnormalities were matched by age and gender with 16 normal-weight children. All…

Effect of reduced heifer nutrition during in utero and post-weaning development on glucose and acetate kinetics

USDA-ARS?s Scientific Manuscript database

Energetic efficiency was evaluated in composite heifers born from dams receiving one of two levels of winter supplementation and then at weaning randomly assigned to their own nutritional treatment of either control (CON; fed to appetite; n = 8/yr) or restricted (RES; fed 80% of that fed to controls...

Field metabolic rate and PCB adipose tissue deposition efficiency in East Greenland polar bears derived from contaminant monitoring data.

PubMed

Pavlova, Viola; Nabe-Nielsen, Jacob; Dietz, Rune; Svenning, Jens-Christian; Vorkamp, Katrin; Rigét, Frank Farsø; Sonne, Christian; Letcher, Robert J; Grimm, Volker

2014-01-01

Climate change will increasingly affect the natural habitat and diet of polar bears (Ursus maritimus). Understanding the energetic needs of polar bears is therefore important. We developed a theoretical method for estimating polar bear food consumption based on using the highly recalcitrant polychlorinated biphenyl (PCB) congener, 2,2',4,4',55-hexaCB (CB153) in bear adipose tissue as an indicator of food intake. By comparing the CB153 tissue concentrations in wild polar bears with estimates from a purposely designed individual-based model, we identified the possible combinations of field metabolic rates (FMR) and CB153 deposition efficiencies in East Greenland polar bears. Our simulations indicate that if 30% of the CB153 consumed by polar bear individuals were deposited into their adipose tissue, the corresponding FMR would be only two times the basal metabolic rate. In contrast, if the modelled CB153 deposition efficiency were 10%, adult polar bears would require six times more energy than that needed to cover basal metabolism. This is considerably higher than what has been assumed for polar bears in previous studies though it is similar to FMRs found in other marine mammals. An implication of this result is that even relatively small reductions in future feeding opportunities could impact the survival of East Greenland polar bears.

Field Metabolic Rate and PCB Adipose Tissue Deposition Efficiency in East Greenland Polar Bears Derived from Contaminant Monitoring Data

PubMed Central

Pavlova, Viola; Nabe-Nielsen, Jacob; Dietz, Rune; Svenning, Jens-Christian; Vorkamp, Katrin; Rigét, Frank Farsø; Sonne, Christian; Letcher, Robert J.; Grimm, Volker

2014-01-01

Climate change will increasingly affect the natural habitat and diet of polar bears (Ursus maritimus). Understanding the energetic needs of polar bears is therefore important. We developed a theoretical method for estimating polar bear food consumption based on using the highly recalcitrant polychlorinated biphenyl (PCB) congener, 2,2′,4,4′,55-hexaCB (CB153) in bear adipose tissue as an indicator of food intake. By comparing the CB153 tissue concentrations in wild polar bears with estimates from a purposely designed individual-based model, we identified the possible combinations of field metabolic rates (FMR) and CB153 deposition efficiencies in East Greenland polar bears. Our simulations indicate that if 30% of the CB153 consumed by polar bear individuals were deposited into their adipose tissue, the corresponding FMR would be only two times the basal metabolic rate. In contrast, if the modelled CB153 deposition efficiency were 10%, adult polar bears would require six times more energy than that needed to cover basal metabolism. This is considerably higher than what has been assumed for polar bears in previous studies though it is similar to FMRs found in other marine mammals. An implication of this result is that even relatively small reductions in future feeding opportunities could impact the survival of East Greenland polar bears. PMID:25101837

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

PubMed

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

2016-07-01

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

Comparing photoelectrochemical water oxidation, recombination kinetics and charge trapping in the three polymorphs of TiO2.

PubMed

Moss, Benjamin; Lim, Kee Kean; Beltram, Alessandro; Moniz, Savio; Tang, Junwang; Fornasiero, Paolo; Barnes, Piers; Durrant, James; Kafizas, Andreas

2017-06-07

In this article we present the first comparative study of the transient decay dynamics of photo-generated charges for the three polymorphs of TiO 2 . To our knowledge, this is the first such study of the brookite phase of TiO 2 over timescales relevant to the kinetics of water splitting. We find that the behavior of brookite, both in the dynamics of relaxation of photo-generated charges and in energetic distribution, is similar to the anatase phase of TiO 2 . Moreover, links between the rate of recombination of charge carriers, their energetic distribution and the mode of transport are made in light of our findings and used to account for the differences in water splitting efficiency observed across the three polymorphs.

Survey of ion plating sources. [conferences

NASA Technical Reports Server (NTRS)

Spalvins, T.

1979-01-01

Based on the type of evaporation source, gaseous media and mode of transport, the following is discussed: resistance, electron beam, sputtering, reactive and ion beam evaporation. Ionization efficiencies and ion energies in the glow discharge determine the percentage of atoms which are ionized under typical ion plating conditions. The plating flux consists of a small number of energetic ions and a large number of energetic neutrals. The energy distribution ranges from thermal energies up to a maximum energy of the discharge. The various reaction mechanisms which contribute to the exceptionally strong adherence - formation of a graded sustrate/coating interface are not fully understood, however the controlling factors are evaluated. The influence of process variables on the nucleation and growth characteristics are illustrated in terms of morphological changes which affect the mechanical and tribological properties of the coating.

An ab initio molecular orbital study of the mechanism for the gas-phase water-mediated decomposition and the formation of hydrates of peroxyacetyl nitrate (PAN).

PubMed

Li, Yumin; Francisco, Joseph S

2005-08-31

There is uncertainty in the mechanism for the hydrolysis of peroxyacetyl nitrate (PAN), and experimental attempts to detect products of the direct reaction have been unsuccessful. Ab initio calculations are used to examine the energetics of water-mediated decomposition of gas-phase PAN into acetic acid and peroxynitric acid. On the basis of ab initio calculations, an alternative reaction mechanism for the decomposition of PAN is proposed. The calculations indicate that the barrier for one water addition to PAN is large. However, including additional water molecules reveals a substantially lower energy route. The calculations suggest that the formation of PAN hydrate complexes are energetically favorable and stable. Additional waters are increasingly efficient at stabilizing hydrated PAN.

Molecular origins of scintillation in organic scintillators (Conference Presentation)

NASA Astrophysics Data System (ADS)

Feng, Patrick; Mengesha, Wondwosen; Myllenbeck, Nicholas

2016-09-01

Organic-based scintillators are indispensable materials for radiation detection owing to their high sensitivity to fast neutrons, low cost, and tailorable properties. There has been a recent resurgence of interest in organic scintillators due to exciting discoveries related to neutron discrimination and gamma-ray spectroscopy, which represent capabilities previously thought not possible in these materials. I will discuss our development of crystalline and polymer-based scintillators for these applications. Structure-property relationships related to intermolecular interactions and host-guest electronic exchange will be discussed in the context of energy-transfer pathways relevant to scintillation. An emphasis will be placed on the rational design of these materials, as guided by first principles and DFT calculations. Two related topics will be discussed: 1) Incorporation of organometallic triplet-harvesting additives to plastic scintillator matrices to confer a 'two-state' (singlet and triplet) luminescence signature to different types of ionizing radiation. This approach relies upon energetic and spatial overlap between the donor and acceptor excited states for efficient electronic exchange. Key considerations also include synthetic modification of the luminescence spectra and kinetics, as well as the addition of secondary additives to increase the recombination efficiency. 2) Design of organotin-containing plastic scintillators as a route towards gamma-ray spectroscopy. Organometallic compounds were selected on the basis of distance-dependent quenching relationships, phase compatibility with the polymer matrix, and the gamma-ray cross sections. This approach is guided by molecular modeling and radiation transport modeling to achieve the highest possible detection sensitivity luminescence intensity.

Cooling urban heat islands with sustainable landscapes

Treesearch

E. Gregory McPherson

1994-01-01

This paper is directed to the policy-makers who are responsible for urban design and its climatological consequences. It summarizes our current knowledge on the structure, energetics, and mitigation of the urban heat island. Special attention is given to physical features of the environment that can be easily manipulated, particularly vegetation. Prototypical designs...

Natural variations in the geomagnetically trapped electron population

NASA Technical Reports Server (NTRS)

Vampola, A. L.

1972-01-01

Temporal variations in the trapped natural electron flux intensities and energy spectra are discussed and demonstrated using recent satellite data. These data are intended to acquaint the space systems engineer with the types of natural variations that may be encountered during a mission and to augment the models of the electron environment currently being used in space system design and orbit selection. An understanding of the temporal variations which may be encountered should prove helpful. Some of the variations demonstrated here which are not widely known include: (1) addition of very energetic electrons to the outer zone during moderate magnetic storms: (2) addition of energetic electrons to the inner zone during major magnetic storms; (3) inversions in the outer zone electron energy spectrum during the decay phase of a storm injection event and (4) occasional formation of multiple maxima in the flux vs altitude profile of moderately energetic electrons.

A rocket-borne electrostatic analyzer for measurement of energetic particle flux

NASA Technical Reports Server (NTRS)

Pozzi, M. A.; Smith, L. G.; Voss, H. D.

1979-01-01

A rocket-borne electrostatic analyzer experiment is described. It is used to measure energetic particle flux (0.9 to 14 keV) in the nighttime midlatitude E region. Energetic particle precipitation is believed to be a significant nighttime ionization source, particularly during times of high geomagnetic activity. The experiment was designed for use in the payload of a Nike Apache sounding rocket. The electrostatic analyzer employs two cylindrical parallel plates subtending a central angle of 90 deg. The voltage waveform supplied to the plates is a series of steps synchronized to the spin of the payload during flight. Both positive and negative voltages are provided, extending the detection capabilities of the instrument to both electrons and protons (and positive ions). The development, construction and operation of the instrument is described together with a preliminary evaluation of its performance in a rocket flight.

Optimal Shapes of Surface Slip Driven Self-Propelled Microswimmers

NASA Astrophysics Data System (ADS)

Vilfan, Andrej

2012-09-01

We study the efficiency of self-propelled swimmers at low Reynolds numbers, assuming that the local energetic cost of maintaining a propulsive surface slip velocity is proportional to the square of that velocity. We determine numerically the optimal shape of a swimmer such that the total power is minimal while maintaining the volume and the swimming speed. The resulting shape depends strongly on the allowed maximum curvature. When sufficient curvature is allowed the optimal swimmer exhibits two protrusions along the symmetry axis. The results show that prolate swimmers such as Paramecium have an efficiency that is ˜20% higher than that of a spherical body, whereas some microorganisms have shapes that allow even higher efficiency.

South Atlantic anomaly and CubeSat design considerations

NASA Astrophysics Data System (ADS)

Fennelly, Judy A.; Johnston, William R.; Ober, Daniel M.; Wilson, Gordon R.; O'Brien, T. Paul; Huston, Stuart L.

2015-09-01

Effects of the South Atlantic Anomaly (SAA) on spacecraft in low Earth orbit (LEO) are well known and documented. The SAA exposes spacecraft in LEO to high dose of ionizing radiation as well as higher than normal rates of Single Event Upsets (SEU) and Single Event Latch-ups (SEL). CubeSats, spacecraft built around 10 x 10 x 10 cm cubes, are even more susceptible to SEUs and SELs due to the use of commercial off-the-shelf components for electronics and payload instrumentation. Examination of the SAA using both data from the Defense Meteorological Satellite Program (DMSP) and a new set of models for the flux of particles is presented. The models, AE9, AP9, and SPM for energetic electrons, energetic protons and space plasma, were developed for use in space system design. These models introduce databased statistical constraints on the uncertainties from measurements and climatological variability. Discussion of the models' capabilities and limitations with regard to LEO CubeSat design is presented.

Thermodynamic dissection of the binding energetics of proline-rich peptides to the Abl-SH3 domain: implications for rational ligand design.

PubMed

Palencia, Andrés; Cobos, Eva S; Mateo, Pedro L; Martínez, Jose C; Luque, Irene

2004-02-13

The inhibition of the interactions between SH3 domains and their targets is emerging as a promising therapeutic strategy. To date, rational design of potent ligands for these domains has been hindered by the lack of understanding of the origins of the binding energy. We present here a complete thermodynamic analysis of the binding energetics of the p41 proline-rich decapeptide (APSYSPPPPP) to the SH3 domain of the c-Abl oncogene. Isothermal titration calorimetry experiments have revealed a thermodynamic signature for this interaction (very favourable enthalpic contributions opposed by an unfavourable binding entropy) inconsistent with the highly hydrophobic nature of the p41 ligand and the Abl-SH3 binding site. Our structural and thermodynamic analyses have led us to the conclusion, having once ruled out any possible ionization events or conformational changes coupled to the association, that the establishment of a complex hydrogen-bond network mediated by water molecules buried at the binding interface is responsible for the observed thermodynamic behaviour. The origin of the binding energetics for proline-rich ligands to the Abl-SH3 domain is further investigated by a comparative calorimetric analysis of a set of p41-related ligands. The striking effects upon the enthalpic and entropic contributions provoked by conservative substitutions at solvent-exposed positions in the ligand confirm the complexity of the interaction. The implications of these results for rational ligand design are discussed.

A Measurement of the Energy Spectra of Cosmic Rays from 20 to 1000 GeV Per Amu

NASA Technical Reports Server (NTRS)

Gregory, J. C.; Thoburn, C.; Smith, A. E.; Petruzzo, J. J., III; Austin, R. W.; Derrickson, J. H.; Parnell, T. A.; Masheder, M. R. W.; Fowler, P. H.

1997-01-01

The design features and operational performance from the test flight of the fourth generation of spherical geometry cosmic ray detectors developed at Bristol University (Bristol University Gas Scintillator 4 - BUGS-4) are presented. The flight from Ft. Sumner (NM) in Sept. 1993 was the premier flight of a large (1m radius) spherical drift chamber which also gave gas scintillation and Cerenkov signals. The combinations of this chamber with one gas and two solid Cerenkov radiators lead to a large aperture factor (4.5 m2sr), but low (approximately 3.5 g/sq cm) instrument mass over the energy sensitive range 1 to several hundred GeV/a. Moreover, one simple timing measurement determined the impact parameter which provided a trajectory (path length) correction for all detector elements. This innovative and efficient design will be of interest to experimental groups engaged in studies of energetic charged particles. Although there were technical problems on the flight, which were compounded by the total destruction of BUGS-4 by fire while landing in Oklahoma, there was a period of stable operation during which the instrument was exposed at float altitude (approximately 125,000 ft.) to high energy cosmic rays. We present the performance of the instrument as determined from the analysis of these data and an appraisal of its novel design features. Suggestions for design improvements in a future instrument are made.

Solubility Report of 1-Methyl-3,5-Dinitro-1H-1,2,4-Triazole (MDNT) and 2-Methyl-4,5-Dinitro-2H-1,2,3-Triazole 1-Oxide (MDNTO) for Co-Crystallization Screen

DTIC Science & Technology

2015-11-01

New Co-Crystals,” Crystal Growth & Design, Vol. 9, No. 3, pp. 1531-1537, 2009. 2 Landenberger, K., Matzger, A., “ Cocrystal Engineering of a...Y., Li, H., Zhou, Y., Zhou, J., Geo, T., Zhang, H., Jiang, G., “Toward Low- Sensitive and High-Energetic Cocrystal 1: Evaluation of the Power and the...Safety of Observed Energetic Cocrystals ,” CrystEngComm, 15, 4003-4014, 2013. 4 Levinthal, M.L., “Propellant Made With Cocrystals of

Effect of the Basic Residue on the Energetics, Dynamics and Mechanisms of Gas- Phase Fragmentation of Protonated Peptides

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

Laskin, Julia; Yang, Zhibo; Song, Tao

2010-11-17

The effect of the basic residue on the energetics, dynamics and mechanisms of backbone fragmentation of protonated peptides was investigated. Time- and collision energy-resolved surface-induced dissociation (SID) of singly protonated peptides with the N-terminal arginine residue and their analogs, in which arginine is replaced with less basic lysine and histidine residues was examined using in a specially configured Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS). SID experiments demonstrated very different kinetics of formation of several primary product ions of peptides with and without arginine residue. The energetics and dynamics of these pathways were determined from the RRKM modelingmore » of the experimental data. Comparison between the kinetics and energetics of fragmentation of arginine-containing peptides and the corresponding methyl ester derivatives provides important information on the effect of dissociation pathways involving salt bridge (SB) intermediates on the observed fragmentation behavior. It is found that because pathways involving SB intermediates are characterized by low threshold energies, they efficiently compete with classical oxazolone pathways of arginine-containing peptides on a long timescale of the FT-ICR instrument. In contrast, fragmentation of histidine- and lysine-containing peptides is largely determined by classical oxazolone pathways. Because SB pathways are characterized by negative activation entropies, fragmentation of arginine-containing peptides is kinetically hindered and observed at higher collision energies as compared to their lysine- and histidine-containing analogs.« less

Genetic polymorphisms and weight loss in obesity: a randomised trial of hypo-energetic high- versus low-fat diets.

PubMed

Sørensen, Thorkild I A; Boutin, Philippe; Taylor, Moira A; Larsen, Lesli H; Verdich, Camilla; Petersen, Liselotte; Holst, Claus; Echwald, Søren M; Dina, Christian; Toubro, Søren; Petersen, Martin; Polak, Jan; Clément, Karine; Martínez, J Alfredo; Langin, Dominique; Oppert, Jean-Michel; Stich, Vladimir; Macdonald, Ian; Arner, Peter; Saris, Wim H M; Pedersen, Oluf; Astrup, Arne; Froguel, Philippe

2006-06-01

To study if genes with common single nucleotide polymorphisms (SNPs) associated with obesity-related phenotypes influence weight loss (WL) in obese individuals treated by a hypo-energetic low-fat or high-fat diet. Randomised, parallel, two-arm, open-label multi-centre trial. Eight clinical centres in seven European countries. 771 obese adult individuals. 10-wk dietary intervention to hypo-energetic (-600 kcal/d) diets with a targeted fat energy of 20%-25% or 40%-45%, completed in 648 participants. WL during the 10 wk in relation to genotypes of 42 SNPs in 26 candidate genes, probably associated with hypothalamic regulation of appetite, efficiency of energy expenditure, regulation of adipocyte differentiation and function, lipid and glucose metabolism, or production of adipocytokines, determined in 642 participants. Compared with the noncarriers of each of the SNPs, and after adjusting for gender, age, baseline weight and centre, heterozygotes showed WL differences that ranged from -0.6 to 0.8 kg, and homozygotes, from -0.7 to 3.1 kg. Genotype-dependent additional WL on low-fat diet ranged from 1.9 to -1.6 kg in heterozygotes, and from 3.8 kg to -2.1 kg in homozygotes relative to the noncarriers. Considering the multiple testing conducted, none of the associations was statistically significant. Polymorphisms in a panel of obesity-related candidate genes play a minor role, if any, in modulating weight changes induced by a moderate hypo-energetic low-fat or high-fat diet.

Combining Diffusive Shock Acceleration with Acceleration by Contracting and Reconnecting Small-scale Flux Ropes at Heliospheric Shocks

NASA Astrophysics Data System (ADS)

le Roux, J. A.; Zank, G. P.; Webb, G. M.; Khabarova, O. V.

2016-08-01

Computational and observational evidence is accruing that heliospheric shocks, as emitters of vorticity, can produce downstream magnetic flux ropes and filaments. This led Zank et al. to investigate a new paradigm whereby energetic particle acceleration near shocks is a combination of diffusive shock acceleration (DSA) with downstream acceleration by many small-scale contracting and reconnecting (merging) flux ropes. Using a model where flux-rope acceleration involves a first-order Fermi mechanism due to the mean compression of numerous contracting flux ropes, Zank et al. provide theoretical support for observations that power-law spectra of energetic particles downstream of heliospheric shocks can be harder than predicted by DSA theory and that energetic particle intensities should peak behind shocks instead of at shocks as predicted by DSA theory. In this paper, a more extended formalism of kinetic transport theory developed by le Roux et al. is used to further explore this paradigm. We describe how second-order Fermi acceleration, related to the variance in the electromagnetic fields produced by downstream small-scale flux-rope dynamics, modifies the standard DSA model. The results show that (I) this approach can qualitatively reproduce observations of particle intensities peaking behind the shock, thus providing further support for the new paradigm, and (II) stochastic acceleration by compressible flux ropes tends to be more efficient than incompressible flux ropes behind shocks in modifying the DSA spectrum of energetic particles.

COMBINING DIFFUSIVE SHOCK ACCELERATION WITH ACCELERATION BY CONTRACTING AND RECONNECTING SMALL-SCALE FLUX ROPES AT HELIOSPHERIC SHOCKS

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

Le Roux, J. A.; Zank, G. P.; Webb, G. M.

2016-08-10

Computational and observational evidence is accruing that heliospheric shocks, as emitters of vorticity, can produce downstream magnetic flux ropes and filaments. This led Zank et al. to investigate a new paradigm whereby energetic particle acceleration near shocks is a combination of diffusive shock acceleration (DSA) with downstream acceleration by many small-scale contracting and reconnecting (merging) flux ropes. Using a model where flux-rope acceleration involves a first-order Fermi mechanism due to the mean compression of numerous contracting flux ropes, Zank et al. provide theoretical support for observations that power-law spectra of energetic particles downstream of heliospheric shocks can be harder thanmore » predicted by DSA theory and that energetic particle intensities should peak behind shocks instead of at shocks as predicted by DSA theory. In this paper, a more extended formalism of kinetic transport theory developed by le Roux et al. is used to further explore this paradigm. We describe how second-order Fermi acceleration, related to the variance in the electromagnetic fields produced by downstream small-scale flux-rope dynamics, modifies the standard DSA model. The results show that (i) this approach can qualitatively reproduce observations of particle intensities peaking behind the shock, thus providing further support for the new paradigm, and (ii) stochastic acceleration by compressible flux ropes tends to be more efficient than incompressible flux ropes behind shocks in modifying the DSA spectrum of energetic particles.« less

A high-resolution thermoelectric module-based calorimeter for measuring the energetics of isolated ventricular trabeculae at body temperature.

PubMed

Johnston, Callum M; Han, June-Chiew; Ruddy, Bryan P; Nielsen, Poul M F; Taberner, Andrew J

2015-07-15

Isolated ventricular trabeculae are the most common experimental preparations used in the study of cardiac energetics. However, the experiments have been conducted at subphysiological temperatures. We have overcome this limitation by designing and constructing a novel calorimeter with sufficiently high thermal resolution for simultaneously measuring the heat output and force production of isolated, contracting, ventricular trabeculae at body temperature. This development was largely motivated by the need to better understand cardiac energetics by performing such measurements at body temperature to relate tissue performance to whole heart behavior in vivo. Our approach uses solid-state thermoelectric modules, tailored for both temperature sensing and temperature control. The thermoelectric modules have high sensitivity and low noise, which, when coupled with a multilevel temperature control system, enable an exceptionally high temperature resolution with a noise-equivalent power an order of magnitude greater than those of other existing muscle calorimeters. Our system allows us to rapidly and easily change the experimental temperature without disturbing the state of the muscle. Our calorimeter is useful in many experiments that explore the energetics of normal physiology as well as pathophysiology of cardiac muscle. Copyright © 2015 the American Physiological Society.

Nitromethane Bridged Bis(1,3,4-oxadiazoles): Trianionic Energetic Salts with Low Sensitivities.

PubMed

Yu, Qiong; Imler, Gregory H; Parrish, Damon A; Shreeve, Jean'ne M

2017-12-14

Trianionic energetic salts based on one nitromethylene and two dinitromethyl anions were designed and synthesized. Interestingly, the unstable dinitromethylene group of diethyl 2,2'-((dinitromethylene)bis(1,3,4-oxadiazole-5,2-diyl))bis(2,2-dinitroacetate) (2) was changed to a mononitromethylene group by an aminolysis reaction to form triammonium ((nitromethanidylene)bis(1,3,4-oxadiazole-5,2-diyl))bis(dinitromethanide) (3), whereas in (dinitrobis(5-(trinitromethyl)-1,3,4-oxadiazol-2-yl)methan) 8 it was hydrolyzed to a carbonyl group resulting in (bis(5-(trinitromethyl)-1,3,4-oxadiazol-2-yl)methanone) 9. All the new compounds were fully characterized by infrared, multinuclear NMR spectra, and elemental analysis. The structures of triammonium ((nitromethanidylene)bis(1,3,4-oxadiazole-5,2-diyl))bis(dinitromethanide) dihydrate (3⋅2 H 2 O) and bis(2-dinitromethyl-1,3,4-oxadiazole-5-yl)methanone (9) were further confirmed by single-crystal X-ray diffraction analysis. Based on their different physical and detonation properties, some of the energetic salts were found to exhibit good energetic performance and low sensitivity. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

A full scale hydrodynamic simulation of pyrotechnic combustion

NASA Astrophysics Data System (ADS)

Kim, Bohoon; Jang, Seung-Gyo; Yoh, Jack

2017-06-01

A full scale hydrodynamic simulation that requires an accurate reproduction of shock-induced detonation was conducted for design of an energetic component system. A series of small scale gap tests and detailed hydrodynamic simulations were used to validate the reactive flow model for predicting the shock propagation in a train configuration and to quantify the shock sensitivity of the energetic materials. The energetic component system is composed of four main components, namely a donor unit (HNS + HMX), a bulkhead (STS), an acceptor explosive (RDX), and a propellant (BKNO3) for gas generation. The pressurized gases generated from the burning propellant were purged into a 10 cc release chamber for study of the inherent oscillatory flow induced by the interferences between shock and rarefaction waves. The pressure fluctuations measured from experiment and calculation were investigated to further validate the peculiar peak at specific characteristic frequency (ωc = 8.3 kHz). In this paper, a step-by-step numerical description of detonation of high explosive components, deflagration of propellant component, and deformation of metal component is given in order to facilitate the proper implementation of the outlined formulation into a shock physics code for a full scale hydrodynamic simulation of the energetic component system.

Self Assembly and Pyroelectric Poling for Organics

DTIC Science & Technology

2015-07-06

ozone or nitrogen oxides) and energetic species from corona discharge . These problems can strongly inhibit the efficient poling and large-scale...poling techniques. Although contact and corona poling protocols are quite well established for decades, there do exist some challenging problems. In...contact poling, severe charge injection from metal electrodes often results in large current that causes dielectric breakdown of films. Corona poling

In-situ observations of a bi-modal ion distribution in the outer coma of comet P/Halley

NASA Technical Reports Server (NTRS)

Thomsen, M. F.; Feldman, W. C.; Wilken, B.; Jockers, K.; Stuedemann, W.

1987-01-01

Observations obtained by the Johnstone Plasma Analyzer on the Giotto fly-by of comet Halley showed a fairly sudden decrease in the count rate of energetic (about 30 KeV) water-group ions inside about 500,000 km from the nucleus. This decrease was accompanied by the appearance of a new water-group ion population at slightly lower energies (less than 10 KeV). Close inspection reveals that this lower-energy peak was also present somewhat earlier in the postshock flow but only became prominent near the sudden transition just described. It is shown that the observed bimodal ion distribution is well explained in terms of the velocity history of the accreting solar wind flow in the outer coma. The decline in count rate of the energetic pick-up distribution is due to a relatively sudden slowing of the bulk flow there and not to a loss of particles. Hence, charge-exchange cooling of the flow is probably not important at these distances from the nucleus. The observations suggest that pitch-angle scattering is fairly efficient at least after the bow shock, but that energy diffusion is probably not very efficient.

SONTRAC: A High Efficiency Solar Neutron Telescope

NASA Astrophysics Data System (ADS)

Wunderer, C. B.; Macri, J.; McConnell, M. L.; Ryan, J. M.; Baltgalvis, J.; Holslin, D.; Polichar, A.; Jenkins, T.

1997-05-01

Solar flare neutron emission between 20 and 100 MeV comes from a portion of the energetic proton spectrum that is poorly sampled by both nuclear-line and pion- decay gamma rays. SONTRAC is a new generation solar neutron telescope/spectrometer consisting of densely packed, alternating orthogonal layers of scintillating plastic fibers. The fibers in both dimensions are viewed by image intensifiers and CCD cameras. Incident neutrons scatter off hydrogen in the plastic scintillator. The resulting ionizing proton tracks can be reconstructed in three dimensions using the two planar CCD track images. Two neutron-proton scatters provide sufficient information to reconstruct the energy and direction of the incident neutron. Photomultiplier tubes view the other sides of the fiber scintillator array. The signals from the PMTs are used to give an additional measure of the proton energies and to provide a trigger for the CCD cameras. Recent technological advances have allowed us to construct an affordable working prototype instrument that consists of all the essential technical elements mentioned above. We will present images of tracks produced by minimum ionizing muons and energetic neutrons. We will also present efficiency estimates for SONTRAC's ability to detect and measure gamma rays above 10 MeV.

Mechanics and energetics of human locomotion on sand.

PubMed

Lejeune, T M; Willems, P A; Heglund, N C

1998-07-01

Moving about in nature often involves walking or running on a soft yielding substratum such as sand, which has a profound effect on the mechanics and energetics of locomotion. Force platform and cinematographic analyses were used to determine the mechanical work performed by human subjects during walking and running on sand and on a hard surface. Oxygen consumption was used to determine the energetic cost of walking and running under the same conditions. Walking on sand requires 1.6-2.5 times more mechanical work than does walking on a hard surface at the same speed. In contrast, running on sand requires only 1.15 times more mechanical work than does running on a hard surface at the same speed. Walking on sand requires 2.1-2.7 times more energy expenditure than does walking on a hard surface at the same speed; while running on sand requires 1.6 times more energy expenditure than does running on a hard surface. The increase in energy cost is due primarily to two effects: the mechanical work done on the sand, and a decrease in the efficiency of positive work done by the muscles and tendons.

Identifying the source of super-high energetic electrons in the presence of pre-plasma in laser–matter interaction at relativistic intensities

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

Wu, D.; Krasheninnikov, S. I.; Luan, S. X.

The generation of super-high energetic electrons influenced by pre-plasma in relativistic intensity laser–matter interaction is studied in a one-dimensional slab approximation with particle-in-cell simulations. Different pre-plasma scale lengths and laser intensities are considered, showing an increase in both particle number and cut-off kinetic energy of electrons with the increase of pre-plasma scale length and laser intensity, the cut-off kinetic energy greatly exceeding the corresponding laser ponderomotive energy. A two-stage electron acceleration model is proposed to explain the underlying physics. The first stage is attributed to the synergetic acceleration by longitudinal electric field and counter-propagating laser pulses, and a scaling lawmore » is obtained with efficiency depending on the pre-plasma scale length and laser intensity. These electrons pre-accelerated in the first stage could build up an intense electrostatic potential barrier with maximal value several times as large as the initial electron kinetic energy. Some of the energetic electrons could be further accelerated by reflection off the electrostatic potential barrier, with their finial kinetic energies significantly higher than the values pre-accelerated in the first stage.« less

Trapped Energetic Electrons in the Magnetosphere of Ganymede

NASA Technical Reports Server (NTRS)

Eviatar, Aharon; Williams, Donald J.; Paranicas, Chris; McEntire, Richard W.; Mauk, Barry H.; Kivelson, Margaret G.

2000-01-01

On May 7, 1997, the Galileo orbiter flew through the magnetosphere of Ganymede and crossed flux tubes connected at both ends to the satellite. Energetic electrons, observed during this encounter by means of the Energetic Particle Detector on board Galileo, showed double loss cones and "butterfly" type pitch angle distributions, as has been noted in past publications. In addition, as the spacecraft flew toward Ganymede, both the shape and magnitude of the spectrum changed. The intensities decreased, with the greatest depletion observed at the lowest energies, and the monotonic slope characteristic of the Jovian environment was replaced by a rollover of the spectrum at the low-energy end. The spectra lead us to infer a strongly energy-dependent injection efficiency into the trapping region. As on previous encounters, the pitch angle distributions confirmed the position of the magnetopause as indicated by the magnetometer measurements, but the spectra remained Jovian until the trapping region was reached. Various physical mechanisms capable of generating the observed spectra and pitch angle distributions, including downstream reconnection insertion followed by magnetic gradient drift and absorption of the lowest-energy electrons by Ganymede and injection from Jovian flux tubes upstream are assessed.

Identifying the source of super-high energetic electrons in the presence of pre-plasma in laser–matter interaction at relativistic intensities

DOE PAGES

Wu, D.; Krasheninnikov, S. I.; Luan, S. X.; ...

2016-10-03

The generation of super-high energetic electrons influenced by pre-plasma in relativistic intensity laser–matter interaction is studied in a one-dimensional slab approximation with particle-in-cell simulations. Different pre-plasma scale lengths and laser intensities are considered, showing an increase in both particle number and cut-off kinetic energy of electrons with the increase of pre-plasma scale length and laser intensity, the cut-off kinetic energy greatly exceeding the corresponding laser ponderomotive energy. A two-stage electron acceleration model is proposed to explain the underlying physics. The first stage is attributed to the synergetic acceleration by longitudinal electric field and counter-propagating laser pulses, and a scaling lawmore » is obtained with efficiency depending on the pre-plasma scale length and laser intensity. These electrons pre-accelerated in the first stage could build up an intense electrostatic potential barrier with maximal value several times as large as the initial electron kinetic energy. Some of the energetic electrons could be further accelerated by reflection off the electrostatic potential barrier, with their finial kinetic energies significantly higher than the values pre-accelerated in the first stage.« less

Interplanetary Magnetic Field Control of the Entry of Solar Energetic Particles into the Magnetosphere

NASA Technical Reports Server (NTRS)

Richard, R. L.; El-Alaoui, M.; Ashour-Abdalla, M.; Walker, R. J.

2002-01-01

We have investigated the entry of energetic ions of solar origin into the magnetosphere as a function of the interplanetary magnetic field orientation. We have modeled this entry by following high energy particles (protons and 3 He ions) ranging from 0.1 to 50 MeV in electric and magnetic fields from a global magnetohydrodynamic (MHD) model of the magnetosphere and its interaction with the solar wind. For the most part these particles entered the magnetosphere on or near open field lines except for some above 10 MeV that could enter directly by crossing field lines due to their large gyroradii. The MHD simulation was driven by a series of idealized solar wind and interplanetary magnetic field (IMF) conditions. It was found that the flux of particles in the magnetosphere and transport into the inner magnetosphere varied widely according to the IMF orientation for a constant upstream particle source, with the most efficient entry occurring under southward IMF conditions. The flux inside the magnetosphere could approach that in the solar wind implying that SEPs can contribute significantly to the magnetospheric energetic particle population during typical SEP events depending on the state of the magnetosphere.

Kinematic Diversity in Rorqual Whale Feeding Mechanisms.

PubMed

Cade, David E; Friedlaender, Ari S; Calambokidis, John; Goldbogen, Jeremy A

2016-10-10

Rorqual whales exhibit an extreme lunge filter-feeding strategy characterized by acceleration to high speed and engulfment of a large volume of prey-laden water [1-4]. Although tagging studies have quantified the kinematics of lunge feeding, the timing of engulfment relative to body acceleration has been modeled conflictingly because it could never be directly measured [5-7]. The temporal coordination of these processes has a major impact on the hydrodynamics and energetics of this high-cost feeding strategy [5-9]. If engulfment and body acceleration are temporally distinct, the overall cost of this dynamic feeding event would be minimized. However, greater temporal overlap of these two phases would theoretically result in higher drag and greater energetic costs. To address this discrepancy, we used animal-borne synchronized video and 3D movement sensors to quantify the kinematics of both the skull and body during feeding events. Krill-feeding blue and humpback whales exhibited temporally distinct acceleration and engulfment phases, with humpback whales reaching maximum gape earlier than blue whales. In these whales, engulfment coincided largely with body deceleration; however, humpback whales pursuing more agile fish demonstrated highly variable coordination of skull and body kinematics in the context of complex prey-herding techniques. These data suggest that rorquals modulate the coordination of acceleration and engulfment to optimize foraging efficiency by minimizing locomotor costs and maximizing prey capture. Moreover, this newfound kinematic diversity observed among rorquals indicates that the energetic efficiency of foraging is driven both by the whale's engulfment capacity and the comparative locomotor capabilities of predator and prey. VIDEO ABSTRACT. Copyright © 2016 Elsevier Ltd. All rights reserved.

Phonovoltaic. III. Electron-phonon coupling and figure of merit of graphene:BN

NASA Astrophysics Data System (ADS)

Melnick, Corey; Kaviany, Massoud

2016-12-01

The phonovoltaic cell harvests optical phonons like a photovoltaic harvests photons, that is, a nonequilibrium (hot) population of optical phonons (at temperature Tp ,O) more energetic than the band gap produces electron-hole pairs in a p -n junction, which separates these pairs to produce power. A phonovoltaic material requires an optical phonon mode more energetic than its band gap and much more energetic than the thermal energy (Ep ,O>Δ Ee ,g≫kBT ), which relaxes by generating electrons and power (at rate γ˙e -p) rather than acoustic phonons and heat (at rate γ˙p -p). Graphene (h-C) is the most promising material candidate: when its band gap is tuned to its optical phonon energy without greatly reducing the electron-phonon (e -p ) coupling, it reaches a substantial figure of merit [ZpV=Δ Ee ,gγ˙e -p/Ep ,O(γ˙e -p+γ˙p -p) ≈0.8 ] . A simple tight-binding (TB) model presented here predicts that lifting the sublattice symmetry of graphene in order to open a band gap proscribes the e -p interaction at the band edge, such that γ˙e -p→0 as Δ Ee ,g→Ep ,O . However, ab initio (DFT-LDA) simulations of layered h-C/BN and substitutional h-C:BN show that the e -p coupling remains substantial in these asymmetric crystals. Indeed, h-C:BN achieves a high figure of merit (ZpV≈0.6 ). At 300 K and for a Carnot limit of 0.5 (Tp ,O=600 K) , a h-C:BN phonovoltaic can reach an efficiency of ηpV≈0.2 , double the thermoelectric efficiency (Z T ≈1 ) under similar conditions.

The remarkable 2011 outburst of the magnetar Swift J1822.3-1606

NASA Astrophysics Data System (ADS)

Chakraborty, Manoneeta; Gogus, Ersin

2016-07-01

Energetic bursts in the X-ray/soft gamma ray band are often observed from magnetars (magnetic field in the range 10^{14} - 10^{15} G). The most energetic of these bursts,- the giant flares, have been observed only from a few sources and exhibit distinct observational characteristics. The 2011 outburst of the relatively low magnetic field magnetar Swift J1822.3-1606 was quite extraordinary due to the interesting timing features observed during this outburst. Periodic modulations at the pulsar spin period were clearly visible, which is a characteristic typical feature seen during the decaying tail of magnetar giant flares. We investigated the temporal variations of the X-ray emission during the early phases of this outburst. The hardness ratio (HR) was found to be strongly anti-correlated X-ray pulse profile intensity much alike that is observed in the case of giant flares. The evolution of the pulse profile morphology also showed a similar behaviour like that for the giant flares but on much longer time scales. The energy released during the entire outburst is comparable to the energy emitted in minutes during the decaying tail of the giant flares. Based on these similarities, we suggest that the same underlying mechanism is probably triggering both the outburst and the giant flares. We propose that the trapped fireball that develops in the magnetosphere at the onset of such energetic events, can radiate away efficiently in minutes in the case of the giant flares, whereas for Swift J1822.3-1606, the efficiency of radiation of the fireball is not as high and, therefore, lasts much longer displaying an outburst. Such a scenario is well supported by the existing theoretical models of magnetars.

Methylene blue stimulates substrate-level phosphorylation catalysed by succinyl-CoA ligase in the citric acid cycle.

PubMed

Komlódi, T; Tretter, L

2017-09-01

Methylene blue (MB), a potential neuroprotective agent, is efficient in various neurodegenerative disease models. Beneficial effects of MB have been attributed to improvements in mitochondrial functions. Substrate-level phosphorylation (SLP) results in the production of ATP independent from the ATP synthase (ATP-ase). In energetically compromised mitochondria, ATP produced by SLP can prevent the reversal of the adenine nucleotide translocase and thus the hydrolysis of glycolytic ATP. The aim of the present study was to investigate the effect of MB on mitochondrial SLP catalysed by succinyl-CoA ligase. Measurements were carried out on isolated guinea pig cortical mitochondria respiring on α-ketoglutarate, glutamate, malate or succinate. The mitochondrial functions and parameters like ATP synthesis, oxygen consumption, membrane potential, and NAD(P)H level were followed online, in parallel with the redox state of MB. SLP-mediated ATP synthesis was measured in the presence of inhibitors for ATP-ase and adenylate kinase. In the presence of the ATP-ase inhibitor oligomycin MB stimulated respiration with all of the respiratory substrates. However, the rate of ATP synthesis increased only with substrates α-ketoglutarate and glutamate (forming succinyl-CoA). MB efficiently stimulated SLP and restored the membrane potential in mitochondria also with the combined inhibition of Complex I and ATP synthase. ATP formed by SLP alleviated the energetic insufficiency generated by the lack of oxidative phosphorylation. Thus, the MB-mediated stimulation of SLP might be important in maintaining the energetic competence of mitochondria and in preventing the mitochondrial hydrolysis of glycolytic ATP. The mitochondrial effects of MB are explained by the ability to accept electrons from reducing equivalents and transfer them to cytochrome c bypassing the respiratory Complexes I and III. Copyright © 2017 Elsevier Ltd. All rights reserved.

Extramitochondrial domain rich in carbonic anhydrase activity improves myocardial energetics.

PubMed

Schroeder, Marie A; Ali, Mohammad A; Hulikova, Alzbeta; Supuran, Claudiu T; Clarke, Kieran; Vaughan-Jones, Richard D; Tyler, Damian J; Swietach, Pawel

2013-03-05

CO2 is produced abundantly by cardiac mitochondria. Thus an efficient means for its venting is required to support metabolism. Carbonic anhydrase (CA) enzymes, expressed at various sites in ventricular myocytes, may affect mitochondrial CO2 clearance by catalyzing CO2 hydration (to H(+) and HCO3(-)), thereby changing the gradient for CO2 venting. Using fluorescent dyes to measure changes in pH arising from the intracellular hydration of extracellularly supplied CO2, overall CA activity in the cytoplasm of isolated ventricular myocytes was found to be modest (2.7-fold above spontaneous kinetics). Experiments on ventricular mitochondria demonstrated negligible intramitochondrial CA activity. CA activity was also investigated in intact hearts by (13)C magnetic resonance spectroscopy from the rate of H(13)CO3(-) production from (13)CO2 released specifically from mitochondria by pyruvate dehydrogenase-mediated metabolism of hyperpolarized [1-(13)C]pyruvate. CA activity measured upon [1-(13)C]pyruvate infusion was fourfold higher than the cytoplasm-averaged value. A fluorescent CA ligand colocalized with a mitochondrial marker, indicating that mitochondria are near a CA-rich domain. Based on immunoreactivity, this domain comprises the nominally cytoplasmic CA isoform CAII and sarcoplasmic reticulum-associated CAXIV. Inhibition of extramitochondrial CA activity acidified the matrix (as determined by fluorescence measurements in permeabilized myocytes and isolated mitochondria), impaired cardiac energetics (indexed by the phosphocreatine-to-ATP ratio measured by (31)P magnetic resonance spectroscopy of perfused hearts), and reduced contractility (as measured from the pressure developed in perfused hearts). These data provide evidence for a functional domain of high CA activity around mitochondria to support CO2 venting, particularly during elevated and fluctuating respiratory activity. Aberrant distribution of CA activity therefore may reduce the heart's energetic efficiency.

Energetic Assessment of the Nonexercise Activities under Free-Living Conditions.

PubMed

Sun, Shijie; Tang, Qiang; Quan, Haiying; Lu, Qi; Sun, Ming; Zhang, Kuan

2016-01-01

Nonexercise activities (NAs) are common types of physical activity in daily life and critical component in energy expenditure. However, energetic assessment of NA, particularly in free-living subjects, is a technical challenge. In this study, mechanical modeling and portable device were used to evaluate five common types of NA in daily life: sit to stand, lie to sit, bowing while standing, squat, and right leg over left. A human indirect calorimeter was used to measure the activity energy expenditure of NA. Mechanical work and mechanical efficiency of NA were calculated for mechanical modeling. Thirty-two male subjects were recruited for the study (20 subjects for the development of models and 12 subjects for evaluation of models). The average (mean ± SD) mechanical work of 5 NAs was 2.31 ± 0.50, 2.88 ± 0.57, 1.75 ± 0.55, 3.96 ± 1.25, and 1.25 ± 0.51 J/kg·m, respectively. The mean mechanical efficiencies of those activities were 22.0 ± 3.3%, 26.5 ± 5.1%, 19.8 ± 3.7%, 24.0 ± 5.5%, and 26.3 ± 5.5%. The activity energy expenditure estimated by the models was not significantly different from the measurements by the calorimeter (p > 0.05) with accuracies of 102.2 ± 20.7%, 103.7 ± 25.8%, 105.6 ± 14.6%, 101.1 ± 28.0%, and 95.8 ± 20.7%, respectively, for those activities. These findings suggest that the mechanical models combined with a portable device can provide an alternative method for the energetic analysis of nonexercise activities under free-living condition.

Continuous engineering of nano-cocrystals for medical and energetic applications.

PubMed

Spitzer, D; Risse, B; Schnell, F; Pichot, V; Klaumünzer, M; Schaefer, M R

2014-10-10

Cocrystals, solid mixtures of different molecules on molecular scale, are supposed to be tailor made materials with improved employability compared to their pristine individual components in domains such as medicine and explosives. In medicine, cocrystals are obtained by crystallization of active pharmaceutical ingredients with precisely chosen coformers to design medicaments that demonstrate enhanced stability, high solubility, and therefore high bioavailability and optimized drug up-take. Nanoscaling may further advance these characteristica compared to their micronsized counterparts - because of a larger surface to volume ratio of nanoparticles. In the field of energetic materials, cocrystals offer the opportunity to design smart explosives, combining high reactivity with significantly reduced sensitivity, nowadays essential for a safe manipulation and handling. Furthermore, cocrystals are used in ferroelectrics, non-linear material response and electronic organics. However, state of the art batch processes produce low volume of cocrystals of variable quality and only have produced micronsized cocrystals so far, no nano-cocrystals. Here we demonstrate the continuous preparation of pharmaceutical and energetic micro- and nano-cocrystals using the Spray Flash Evaporation process. Our laboratory scale pilot plant continuously prepared up to 8 grams per hour of Caffeine/Oxalic acid 2:1, Caffeine/Glutaric acid 1:1, TNT/CL-20 1:1 and HMX/Cl-20 1:2 nano- and submicronsized cocrystals.

Continuous engineering of nano-cocrystals for medical and energetic applications

NASA Astrophysics Data System (ADS)

Spitzer, D.; Risse, B.; Schnell, F.; Pichot, V.; Klaumünzer, M.; Schaefer, M. R.

2014-10-01

Cocrystals, solid mixtures of different molecules on molecular scale, are supposed to be tailor made materials with improved employability compared to their pristine individual components in domains such as medicine and explosives. In medicine, cocrystals are obtained by crystallization of active pharmaceutical ingredients with precisely chosen coformers to design medicaments that demonstrate enhanced stability, high solubility, and therefore high bioavailability and optimized drug up-take. Nanoscaling may further advance these characteristica compared to their micronsized counterparts - because of a larger surface to volume ratio of nanoparticles. In the field of energetic materials, cocrystals offer the opportunity to design smart explosives, combining high reactivity with significantly reduced sensitivity, nowadays essential for a safe manipulation and handling. Furthermore, cocrystals are used in ferroelectrics, non-linear material response and electronic organics. However, state of the art batch processes produce low volume of cocrystals of variable quality and only have produced micronsized cocrystals so far, no nano-cocrystals. Here we demonstrate the continuous preparation of pharmaceutical and energetic micro- and nano-cocrystals using the Spray Flash Evaporation process. Our laboratory scale pilot plant continuously prepared up to 8 grams per hour of Caffeine/Oxalic acid 2:1, Caffeine/Glutaric acid 1:1, TNT/CL-20 1:1 and HMX/Cl-20 1:2 nano- and submicronsized cocrystals.

Continuous engineering of nano-cocrystals for medical and energetic applications

PubMed Central

Spitzer, D.; Risse, B.; Schnell, F.; Pichot, V.; Klaumünzer, M.; Schaefer, M. R.

2014-01-01

Cocrystals, solid mixtures of different molecules on molecular scale, are supposed to be tailor made materials with improved employability compared to their pristine individual components in domains such as medicine and explosives. In medicine, cocrystals are obtained by crystallization of active pharmaceutical ingredients with precisely chosen coformers to design medicaments that demonstrate enhanced stability, high solubility, and therefore high bioavailability and optimized drug up-take. Nanoscaling may further advance these characteristica compared to their micronsized counterparts – because of a larger surface to volume ratio of nanoparticles. In the field of energetic materials, cocrystals offer the opportunity to design smart explosives, combining high reactivity with significantly reduced sensitivity, nowadays essential for a safe manipulation and handling. Furthermore, cocrystals are used in ferroelectrics, non-linear material response and electronic organics. However, state of the art batch processes produce low volume of cocrystals of variable quality and only have produced micronsized cocrystals so far, no nano-cocrystals. Here we demonstrate the continuous preparation of pharmaceutical and energetic micro- and nano-cocrystals using the Spray Flash Evaporation process. Our laboratory scale pilot plant continuously prepared up to 8 grams per hour of Caffeine/Oxalic acid 2:1, Caffeine/Glutaric acid 1:1, TNT/CL-20 1:1 and HMX/Cl-20 1:2 nano- and submicronsized cocrystals. PMID:25300652

Virtual screening of mandelate racemase mutants with enhanced activity based on binding energy in the transition state.

PubMed

Gu, Jiali; Liu, Min; Guo, Fei; Xie, Wenping; Lu, Wenqiang; Ye, Lidan; Chen, Zhirong; Yuan, Shenfeng; Yu, Hongwei

2014-02-05

Mandelate racemase (MR) is a promising candidate for the dynamic kinetic resolution of racemates. However, the poor activity of MR towards most of its non-natural substrates limits its widespread application. In this work, a virtual screening method based on the binding energy in the transition state was established to assist in the screening of MR mutants with enhanced catalytic efficiency. Using R-3-chloromandelic acid as a model substrate, a total of 53 mutants were constructed based on rational design in the two rounds of screening. The number of mutants for experimental validation was brought down to 17 by the virtual screening method, among which 14 variants turned out to possess improved catalytic efficiency. The variant V26I/Y54V showed 5.2-fold higher catalytic efficiency (k(cat)/K(m)) towards R-3-chloromandelic acid than that observed for the wild-type enzyme. Using this strategy, mutants were successfully obtained for two other substrates, R-mandelamide and R-2-naphthylglycolate (V26I and V29L, respectively), both with a 2-fold improvement in catalytic efficiency. These results demonstrated that this method could effectively predict the trend of mutational effects on catalysis. Analysis from the energetic and structural assays indicated that the enhanced interactions between the active sites and the substrate in the transition state led to improved catalytic efficiency. It was concluded that this virtual screening method based on the binding energy in the transition state was beneficial in enzyme rational redesign and helped to better understand the catalytic properties of the enzyme. Copyright © 2013 Elsevier Inc. All rights reserved.

Non-dimensional physics of pulsatile cardiovascular networks and energy efficiency.

PubMed

Yigit, Berk; Pekkan, Kerem

2016-01-01

In Nature, there exist a variety of cardiovascular circulation networks in which the energetic ventricular load has both steady and pulsatile components. Steady load is related to the mean cardiac output (CO) and the haemodynamic resistance of the peripheral vascular system. On the other hand, the pulsatile load is determined by the simultaneous pressure and flow waveforms at the ventricular outlet, which in turn are governed through arterial wave dynamics (transmission) and pulse decay characteristics (windkessel effect). Both the steady and pulsatile contributions of the haemodynamic power load are critical for characterizing/comparing disease states and for predicting the performance of cardiovascular devices. However, haemodynamic performance parameters vary significantly from subject to subject because of body size, heart rate and subject-specific CO. Therefore, a 'normalized' energy dissipation index, as a function of the 'non-dimensional' physical parameters that govern the circulation networks, is needed for comparative/integrative biological studies and clinical decision-making. In this paper, a complete network-independent non-dimensional formulation that incorporates pulsatile flow regimes is developed. Mechanical design variables of cardiovascular flow systems are identified and the Buckingham Pi theorem is formally applied to obtain the corresponding non-dimensional scaling parameter sets. Two scaling approaches are considered to address both the lumped parameter networks and the distributed circulation components. The validity of these non-dimensional number sets is tested extensively through the existing empirical allometric scaling laws of circulation systems. Additional validation studies are performed using a parametric numerical arterial model that represents the transmission and windkessel characteristics, which are adjusted to represent different body sizes and non-dimensional haemodynamic states. Simulations demonstrate that the proposed non-dimensional indices are independent of body size for healthy conditions, but are sensitive to deviations caused by off-design disease states that alter the energetic load. Sensitivity simulations are used to identify the relationship between pulsatile power loss and non-dimensional characteristics, and optimal operational states are computed. © 2016 The Author(s).

The design of a wireless batteryless biflash installation with high power LEDs

NASA Astrophysics Data System (ADS)

Cappelle, J.; De Geest, W.; Hanselaer, P.

2011-05-01

Adding flashlights at crosswalks may make these weak traffic points safer. Unfortunately plugging in traffic lights into the electrical grid is expensive and complex. This paper reports about the energetic, the electronic and the optical design and building of a wireless and batteryless biflash installation in the framework of a flemish SME supporting program. The energy is supplied by a small solar panel and is buffered by supercapacitors instead of batteries. This has the advantage of being maintenance free: the number of charge-discharge cycles is almost unlimited because there is no chemical reaction involved in the storage mechanism. On the other hand the limited energy storage capacity of supercapacitors requires a new approach for the system design. Based on the EN-12352 standard for warning light devices, all design choices were filled in to be as energy efficient as possible. The duty cycle and the light output of the high power led flashlights are minimized. The components for the electronic circuits for the led driver, the control and the RF communication are selected based on their energy consumption and power management techniques are implemented. A lot of energy is saved by making the biflash system active. The leds are only flashing on demand or at preprogrammed moments. A biflash installation is typically installed at both sides of a crosswalk. A call at one of the sides should result in flashing at both sides. To maintain the drag and drop principle, a wireless RF communication system is designed.

Final Scientific Report

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

Hayes, Adam; Mayton, Mark; Rolland, Jannick

2016-03-29

Project 1: We have created a 3D optical research and design software platform for simulation and optimization, geared toward asymmetric, folded optical systems and new, enabling freeform surfaces. The software, Eikonal+, targets both institutional researchers and leading optical surface fabricators. With a modular design and the source code available to the development team at the University of Rochester, custom modules can be created for specific research interests and is accelerating the work on freeform optics currently being carried out at the Institute of Optics. With a research-based optical design environment, the fabrication, assembly, and testing industries can anticipate, innovate, andmore » retool for the future of optical systems. Targeted proposals for science and innovation in freeform optics spanning design to fabrication, assembly, and testing can proceed with a level of technical transparency that has been unachievable in this field since the 1960’s, when optics design code was commercialized and became unavailable to the research community for competitive reasons. Project 2: The University of Rochester Laboratory for Laser Energetics (LLE) with personnel from Flint Creek Resources (FCR) collaborated to develop technologies for the reclamation and reuse of cerium oxide based slurries intended for the polishing of optical components. The pilot process was evaluated and modifications were made to improve the collection of spent glass polish, to improve the efficiency and capacity of the recycling equipment, and to expand the customer base. A portable, self-contained system was developed and fabricated to recycle glass polishing compounds where the spent materials are produced.« less

Modelling the impact of mulching the soil with plant remains on water regime formation, crop yield and energy costs in agricultural ecosystems

NASA Astrophysics Data System (ADS)

Gusev, Yeugeniy M.; Dzhogan, Larisa Y.; Nasonova, Olga N.

2018-02-01

The model MULCH, developed by authors previously for simulating the formation of water regime in an agricultural field covered by straw mulch layer, has been used for the comparative evaluation of the efficiency of four agricultural cultivation technologies, which are usually used for wheat production in different regions of Russia and Ukraine. It simulates the dynamics of water budget components in a soil rooting zone at daily time step from the beginning of spring snowmelt to the beginning of the period with stable negative air temperatures. The model was designed for estimation of mulching efficiency in terms of increase in plant water supply and crop yield under climatic and soil conditions of the steppe and forest-steppe zones. It is used for studying the mulching effect on some characteristics of water regime and yield of winter wheat growing at specific sites located in semi-arid and arid regions of the steppe and forest-steppe zones of the eastern and southern parts of the East-European (Russian) plain. In addition, a previously developed technique for estimating the energetic efficiency of various agricultural technologies with accounting for their impact on changes in soil energy is applied for the comparative evaluation of the efficiency of four agricultural cultivation technologies, which are usually used for wheat production in different regions of the steppe and forest-steppe zones of the European Russia: (1) moldboard tillage of soil without irrigation, (2) moldboard tillage of soil with irrigation, (3) subsurface cultivation, and (4) subsurface cultivation with mulching the soil with plant remains.

Entropy production and rectification efficiency in colloid transport along a pulsating channel

NASA Astrophysics Data System (ADS)

Florencia Carusela, M.; Rubi, J. Miguel

2018-06-01

We study the current rectification of particles moving in a pulsating channel under the influence of an applied force. We have shown the existence of different rectification scenarios in which entropic and energetic effects compete. The effect can be quantified by means of a rectification coefficient that is analyzed in terms of the force, the frequency and the diffusion coefficient. The energetic cost of the motion of the particles expressed in terms of the entropy production depends on the importance of the entropic contribution to the total force. Rectification is more important at low values of the applied force when entropic effects become dominant. In this regime, the entropy production is not invariant under reversal of the applied force. The phenomenon observed could be used to optimize transport in microfluidic devices or in biological channels.

Energetics of oscillating lifting surfaces using integral conservation laws

NASA Technical Reports Server (NTRS)

Ahmadi, Ali R.; Widnall, Sheila E.

1987-01-01

The energetics of oscillating flexible lifting surfaces in two and three dimensions is calculated by the use of integral conservation laws in inviscid incompressible flow for general and harmonic transverse oscillations. Total thrust is calculated from the momentum theorem and energy loss rate due to vortex shedding in the wake from the principle of conservation of mechanical energy. Total power required to maintain the oscillations and hydrodynamic efficiency are also determined. In two dimensions, the results are obtained in closed form. In three dimensions, the distribution of vorticity on the lifting surface is also required as input to the calculations. Thus, unsteady lifting-surface theory must be used as well. The analysis is applicable to oscillating lifting surfaces of arbitrary planform, aspect ratio, and reduced frequency and does not require calculation of the leading-edge thrust.

Energetics of pathogenic bacteria and opportunities for drug development.

PubMed

Cook, Gregory M; Greening, Chris; Hards, Kiel; Berney, Michael

2014-01-01

The emergence and spread of drug-resistant pathogens and our inability to develop new antimicrobials to overcome resistance has inspired scientists to consider new targets for drug development. Cellular bioenergetics is an area showing promise for the development of new antimicrobials, particularly in the discovery of new anti-tuberculosis drugs where several new compounds have entered clinical trials. In this review, we have examined the bioenergetics of various bacterial pathogens, highlighting the versatility of electron donor and acceptor utilisation and the modularity of electron transport chain components in bacteria. In addition to re-examining classical concepts, we explore new literature that reveals the intricacies of pathogen energetics, for example, how Salmonella enterica and Campylobacter jejuni exploit host and microbiota to derive powerful electron donors and sinks; the strategies Mycobacterium tuberculosis and Pseudomonas aeruginosa use to persist in lung tissues; and the importance of sodium energetics and electron bifurcation in the chemiosmotic anaerobe Fusobacterium nucleatum. A combination of physiological, biochemical, and pharmacological data suggests that, in addition to the clinically-approved target F1Fo-ATP synthase, NADH dehydrogenase type II, succinate dehydrogenase, hydrogenase, cytochrome bd oxidase, and menaquinone biosynthesis pathways are particularly promising next-generation drug targets. The realisation of cellular energetics as a rich target space for the development of new antimicrobials will be dependent upon gaining increased understanding of the energetic processes utilised by pathogens in host environments and the ability to design bacterial-specific inhibitors of these processes. © 2014 Elsevier Ltd All rights reserved.

A Study of Charge Transport: Correlated Energetic Disorder in Organic Semiconductors, and the Fragment Hamiltonian

NASA Astrophysics Data System (ADS)

Allen, Jonathan Robert

This dissertation details work done on two different descriptions of charge transport. The first topic is energetic disorder in organic semiconductors, and its effect on charge transport. This is motivated primarily by solar cells, which can be broadly classified as either inorganic or organic. The inorganic class of solar cells is older, and more well-developed, with the most common type being constructed from crystalline silicon. The large silicon crystals required for these cells are expensive to manufacture, which gave rise to interest in photovoltaic cells made from much less costly organic polymers. These organic materials are also less efficient than their silicon counterparts, due to a large degree of spatial and energetic disorder. In this document, the sources and structure of energetic disorder in organic semiconductors are explored, with an emphasis on spatial correlations in energetic disorder. In order for an organic photovoltaic device to function, there must be photogeneration of an exciton (a bound electron-hole pair), exciton transport, exciton dissociation, and transport of the individual charges to their respective terminals. In the case of this thesis, the main focus is exciton dissociation. The effects of correlation on exciton dissociation are examined through computer simulation, and compared to the theory and simulations of previous researchers. We conclude that energetic disorder in organic semiconductors is spatially correlated, and that this correlation improves the ability of excitons to dissociate. The second topic of this dissertation is the Fragment Hamiltonian model. This is a model currently in development as a means of describing charge transport across a range of systems. Currently there are many different systems which exhibit various charge transport behaviors, which are described by several different models. The overarching goal of the Fragment Hamiltonian model is to construct a description of charge transport which accurately describes the behavior of multiple different materials (i.e. metallic conductors or ceramic insulators) in the appropriate limits. The Fragment Hamiltonian model is explored in the context of the tight-binding model, and properties such as the conductivity of several different systems are deduced.

Constancy and trade-offs in the neuroanatomical and metabolic design of the cerebral cortex

PubMed Central

Karbowski, Jan

2014-01-01

Mammalian brains span about four orders of magnitude in cortical volume and have to operate in different environments that require diverse behavioral skills. Despite these geometric and behavioral diversities, the examination of cerebral cortex across species reveals that it contains a substantial number of conserved characteristics that are associated with neuroanatomy and metabolism, i.e., with neuronal connectivity and function. Some of these cortical constants or invariants have been known for a long time but not sufficiently appreciated, and others were only recently discovered. The focus of this review is to present the cortical invariants and discuss their role in the efficient information processing. Global conservation in neuroanatomy and metabolism, as well as their correlated regional and developmental variability suggest that these two parallel systems are mutually coupled. It is argued that energetic constraint on cortical organization can be strong if cerebral blood supplied is either below or above a certain level, and it is rather soft otherwise. Moreover, because maximization or minimization of parameters associated with cortical connectivity, function and cost often leads to conflicts in design, it is argued that the architecture of the cerebral cortex is a result of structural and functional compromises. PMID:24574975

Design of high-throughput and low-power true random number generator utilizing perpendicularly magnetized voltage-controlled magnetic tunnel junction

NASA Astrophysics Data System (ADS)

Lee, Hochul; Ebrahimi, Farbod; Amiri, Pedram Khalili; Wang, Kang L.

2017-05-01

A true random number generator based on perpendicularly magnetized voltage-controlled magnetic tunnel junction devices (MRNG) is presented. Unlike MTJs used in memory applications where a stable bit is needed to store information, in this work, the MTJ is intentionally designed with small perpendicular magnetic anisotropy (PMA). This allows one to take advantage of the thermally activated fluctuations of its free layer as a stochastic noise source. Furthermore, we take advantage of the voltage dependence of anisotropy to temporarily change the MTJ state into an unstable state when a voltage is applied. Since the MTJ has two energetically stable states, the final state is randomly chosen by thermal fluctuation. The voltage controlled magnetic anisotropy (VCMA) effect is used to generate the metastable state of the MTJ by lowering its energy barrier. The proposed MRNG achieves a high throughput (32 Gbps) by implementing a 64 ×64 MTJ array into CMOS circuits and executing operations in a parallel manner. Furthermore, the circuit consumes very low energy to generate a random bit (31.5 fJ/bit) due to the high energy efficiency of the voltage-controlled MTJ switching.

Neutron-Induced Charged Particle Studies at LANSCE

NASA Astrophysics Data System (ADS)

Lee, Hye Young; Haight, Robert C.

2014-09-01

Direct measurements on neutron-induced charged particle reactions are of interest for nuclear astrophysics and applied nuclear energy. LANSCE (Los Alamos Neutron Science Center) produces neutrons in energy of thermal to several hundreds MeV. There has been an effort at LANSCE to upgrade neutron-induced charged particle detection technique, which follows on (n,z) measurements made previously here and will have improved capabilities including larger solid angles, higher efficiency, and better signal to background ratios. For studying cross sections of low-energy neutron induced alpha reactions, Frisch-gridded ionization chamber is designed with segmented anodes for improving signal-to-noise ratio near reaction thresholds. Since double-differential cross sections on (n,p) and (n,a) reactions up to tens of MeV provide important information on deducing nuclear level density, the ionization chamber will be coupled with silicon strip detectors (DSSD) in order to stop energetic charged particles. In this paper, we will present the status of this development including the progress on detector design, calibrations and Monte Carlo simulations. This work is funded by the US Department of Energy - Los Alamos National Security, LLC under Contract DE-AC52-06NA25396.

Laser ion source for multi-nucleon transfer reaction products

NASA Astrophysics Data System (ADS)

Hirayama, Y.; Watanabe, Y. X.; Imai, N.; Ishiyama, H.; Jeong, S. C.; Miyatake, H.; Oyaizu, M.; Kimura, S.; Mukai, M.; Kim, Y. H.; Sonoda, T.; Wada, M.; Huyse, M.; Kudryavtsev, Yu.; Van Duppen, P.

2015-06-01

We have developed a laser ion source for the target-like fragments (TLFs) produced in multi-nucleon transfer (MNT) reactions. The operation principle of the source is based on the in-gas laser ionization and spectroscopy (IGLIS) approach. In the source TLFs are thermalized and neutralized in high pressure and high purity argon gas, and are extracted after being selectively re-ionized in a multi-step laser resonance ionization process. The laser ion source has been implemented at the KEK Isotope Separation System (KISS) for β-decay spectroscopy of neutron-rich isotopes with N = 126 of nuclear astrophysical interest. The simulations of gas flow and ion-beam optics have been performed to optimize the gas cell for efficient thermalization and fast transporting the TLFs, and the mass-separator for efficient transport with high mass-resolving power, respectively. To confirm the performances expected at the design stage, off-line experiments have been performed by using 56Fe atoms evaporated from a filament in the gas cell. The gas-transport time of 230 ms in the argon cell and the measured KISS mass-resolving power of 900 are consistent with the designed values. The high purity of the gas-cell system, which is extremely important for efficient and highly-selective production of laser ions, was achieved and confirmed from the mass distribution of the extracted ions. After the off-line tests, on-line experiments were conducted by directly injecting energetic 56Fe beam into the gas cell. After thermalization of the injected 56Fe beam, laser-produced singly-charged 56Fe+ ions were extracted. The extraction efficiency and selectivity of the gas cell in the presence of plasma induced by 56Fe beam injection as well as the time profile of the extracted ions were investigated; extraction efficiency of 0.25%, a beam purity of >99% and an extraction time of 270 ms. It has been confirmed that the performance of the KISS laser ion source is satisfactory to start the measurements of lifetimes of the β-decayed nuclei with N = 126 .

Laser-driven electron acceleration in a plasma channel with an additional electric field

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

Cheng, Li-Hong; Xue, Ju-Kui, E-mail: xuejk@nwnu.edu.cn; Liu, Jie, E-mail: liu-jie@iapcm.ac.cn

2016-05-15

We examine the electron acceleration in a two-dimensional plasma channel under the action of a laser field and an additional static electric field. We propose to design an appropriate additional electric field (its direction and location), in order to launch the electron onto an energetic trajectory. We find that the electron acceleration strongly depends on the coupled effects of the laser polarization, the direction, and location of the additional electric field. The additional electric field affects the electron dynamics by changing the dephasing rate. Particularly, a suitably designed additional electric field leads to a considerable energy gain from the lasermore » pulse after the interaction with the additional electric field. The electron energy gain from the laser with the additional electric field can be much higher than that without the additional electric field. This engineering provides a possible means for producing high energetic electrons.« less

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

Wass, P. J.; Araujo, H.; Sumner, T.

We present the concept, design and testing of the radiation monitor for LISA Pathfinder. Galactic cosmic rays (GCRs) and solar energetic particles (SEPs) will cause charging of the LISA Pathfinder test masses producing unwanted disturbances which could be significant during a large solar eruption. A radiation monitor on board LISA Pathfinder, using silicon PIN diodes as particle detectors, will measure the particle flux responsible for charging. It will also be able to record spectral information to identify solar energetic particle events. The design of the monitor was supported by Monte Carlo simulations which allow detailed predictions of the radiation monitormore » performance. We present these predictions as well as the results of high-energy proton tests carried out at the Paul Scherrer Institute, Switzerland. The tests show good agreement with our simulations and confirm the capability of the radiation monitor to perform well in the space environment, meeting all science requirements.« less

Time distributions of solar energetic particle events: Are SEPEs really random?

NASA Astrophysics Data System (ADS)

Jiggens, P. T. A.; Gabriel, S. B.

2009-10-01

Solar energetic particle events (SEPEs) can exhibit flux increases of several orders of magnitude over background levels and have always been considered to be random in nature in statistical models with no dependence of any one event on the occurrence of previous events. We examine whether this assumption of randomness in time is correct. Engineering modeling of SEPEs is important to enable reliable and efficient design of both Earth-orbiting and interplanetary spacecraft and future manned missions to Mars and the Moon. All existing engineering models assume that the frequency of SEPEs follows a Poisson process. We present analysis of the event waiting times using alternative distributions described by Lévy and time-dependent Poisson processes and compared these with the usual Poisson distribution. The results show significant deviation from a Poisson process and indicate that the underlying physical processes might be more closely related to a Lévy-type process, suggesting that there is some inherent “memory” in the system. Inherent Poisson assumptions of stationarity and event independence are investigated, and it appears that they do not hold and can be dependent upon the event definition used. SEPEs appear to have some memory indicating that events are not completely random with activity levels varying even during solar active periods and are characterized by clusters of events. This could have significant ramifications for engineering models of the SEP environment, and it is recommended that current statistical engineering models of the SEP environment should be modified to incorporate long-term event dependency and short-term system memory.

Experimental thermodynamics of single molecular motor.

PubMed

Toyabe, Shoichi; Muneyuki, Eiro

2013-01-01

Molecular motor is a nano-sized chemical engine that converts chemical free energy to mechanical motions. Hence, the energetics is as important as kinetics in order to understand its operation principle. We review experiments to evaluate the thermodynamic properties of a rotational F1-ATPase motor (F1-motor) at a single-molecule level. We show that the F1-motor achieves 100% thermo dynamic efficiency at the stalled state. Furthermore, the motor reduces the internal irreversible heat inside the motor to almost zero and achieves a highly-efficient free energy transduction close to 100% during rotations far from quasistatic process. We discuss the mechanism of how the F1-motor achieves such a high efficiency, which highlights the remarkable property of the nano-sized engine F1-motor.

Development of Novel Environmentally Sustainable Binders for Energetic Formulations

DTIC Science & Technology

2015-06-01

Senenayake, C. H., Addition of Grignard reagents to aryl acid chlorides: an efficient synthesis of aryl ketones, Org. Lett. 2005, 7, 5593- 5595. (b) Gowda...M. S.; Pande, S. S.; Ramakrishna, R. A.; Prabhu, K. R., Acylation of Grignard reagents mediated by N-methylpyrrolidinone: a remarkable selectivity...acid moiety to introduce the necessary linker. Although the standard isocyanates- based reagents induce significant toxicity, the isocyanate function

Temporal contrast enhancement of a femtosecond fiber CPA system by filtering of SPM broadened spectra

NASA Astrophysics Data System (ADS)

Buldt, J.; Müller, M.; Klas, R.; Eidam, T.; Limpert, J.; Tünnermann, A.

2018-02-01

We present a novel approach for temporal contrast enhancement of energetic laser pulses by filtered SPM broadened spectra. A measured temporal contrast enhancement by at least 7 orders of magnitude in a simple setup has been achieved. This technique is applicable to a wide range of laser parameters and poses a highly efficient alternative to existing contrast-enhancement methods.

Efficient collective swimming by harnessing vortices through deep reinforcement learning.

PubMed

Verma, Siddhartha; Novati, Guido; Koumoutsakos, Petros

2018-06-05

Fish in schooling formations navigate complex flow fields replete with mechanical energy in the vortex wakes of their companions. Their schooling behavior has been associated with evolutionary advantages including energy savings, yet the underlying physical mechanisms remain unknown. We show that fish can improve their sustained propulsive efficiency by placing themselves in appropriate locations in the wake of other swimmers and intercepting judiciously their shed vortices. This swimming strategy leads to collective energy savings and is revealed through a combination of high-fidelity flow simulations with a deep reinforcement learning (RL) algorithm. The RL algorithm relies on a policy defined by deep, recurrent neural nets, with long-short-term memory cells, that are essential for capturing the unsteadiness of the two-way interactions between the fish and the vortical flow field. Surprisingly, we find that swimming in-line with a leader is not associated with energetic benefits for the follower. Instead, "smart swimmer(s)" place themselves at off-center positions, with respect to the axis of the leader(s) and deform their body to synchronize with the momentum of the oncoming vortices, thus enhancing their swimming efficiency at no cost to the leader(s). The results confirm that fish may harvest energy deposited in vortices and support the conjecture that swimming in formation is energetically advantageous. Moreover, this study demonstrates that deep RL can produce navigation algorithms for complex unsteady and vortical flow fields, with promising implications for energy savings in autonomous robotic swarms.

Gender differences in power production, energetic capacity and efficiency of elite cross‑country skiers during whole‑body, upper‑body, and arm poling.

PubMed

Hegge, Ann Magdalen; Bucher, Elias; Ettema, Gertjan; Faude, Oliver; Holmberg, Hans-Christer; Sandbakk, Øyvind

2016-02-01

To characterize gender differences in power output, energetic capacity and exercise efficiency during whole-body (WP), upper-body (UP), and arm poling (AP). Ten male and ten female elite cross-country skiers, matched for international performance level, completed three incremental submaximal tests and a 3-min self-paced performance test on a Concept2 SkiErg. Power output, cardiorespiratory and kinematic variables were monitored. Body composition was determined by dual-energy X-ray absorptiometry. The men demonstrated 87, 97 and 103% higher power output, and 51, 65 and 71% higher VO2peak (L min(−1)) than the women during WP, UP and AP, respectively, while utilizing ~10% more of their running VO2max in all modes (all P < 0.001). The men had 35, 38 and 59% more lean mass in the whole body, upper body and arms (all P < 0.001). The men exhibited greater shoulder and elbow extension at the start of poling and greater trunk flexion at the end of poling (all P < 0.05). The relationship between VO2 and power output did not differ between the men and women. Gender differences in power production and peak aerobic capacity increased sequentially from WP to UP to AP, coinciding with a greater portion of the muscle mass in the arms of the men. Although the men and women employed each poling technique differently, the estimated efficiency of double poling was independent of gender.

Is "efficiency" a useful concept in cognitive neuroscience?

PubMed

Poldrack, Russell A

2015-02-01

It is common in the cognitive neuroscience literature to explain differences in activation in terms of differences in the "efficiency" of neural function. I argue here that this usage of the concept of efficiency is empty and simply redescribes activation differences rather than providing a useful explanation of them. I examine a number of possible explanations for differential activation in terms of task performance, neuronal computation, neuronal energetics, and network organization. While the concept of "efficiency" is vacuous as it is commonly employed in the neuroimaging literature, an examination of brain development in the context of neural coding, neuroenergetics, and network structure provides a roadmap for future investigation, which is fundamental to an improved understanding of developmental effects and group differences in neuroimaging signals. Copyright © 2014 The Author. Published by Elsevier Ltd.. All rights reserved.

In-Flight Calibration of the Energetic Gamma-Ray Experiment Telescope (EGRET) on the Compton Gamma-Ray Observatory

NASA Technical Reports Server (NTRS)

Esposito, J. A.; Bertsch, D. L.; Chen, A. W.; Dingus, B. L.; Fichtel, C. E.; Hartman, R. C.; Hunter, S. D.; Kanbach, G.; Kniffen, D. A.; Lin, Y. C.;

Spacelab energetic ion mass spectrometer

NASA Technical Reports Server (NTRS)

Whalen, B. A.; Mcdiarmid, I. B.; Burrows, J. R.; Sharp, R. D.; Johnson, R. G.; Shelley, E. G.

1980-01-01

Basic design criteria are given for an ion mass spectrometer for use in studying magnetospheric ion populations. The proposed instrument is composed of an electrostatic analyzer followed by a magnetic spectrometer and simultaneously measures the energy per unit and mass per unit charge of the ion species. An electromagnet is used for momentum analysis to extend the operational energy range over a much wider domain than is possible with the permanent magnets used in previous flights. The energetic ion source regions, ion energization mechanisms, field line tracing, coordinated investigations, and orbit considerations are discussed and operations of the momentum analyzer and of the electrostatic energy analyzer are examined.

Evaluation of synthetic linear motor-molecule actuation energetics

PubMed Central

Brough, Branden; Northrop, Brian H.; Schmidt, Jacob J.; Tseng, Hsian-Rong; Houk, Kendall N.; Stoddart, J. Fraser; Ho, Chih-Ming

2006-01-01

By applying atomic force microscope (AFM)-based force spectroscopy together with computational modeling in the form of molecular force-field simulations, we have determined quantitatively the actuation energetics of a synthetic motor-molecule. This multidisciplinary approach was performed on specifically designed, bistable, redox-controllable [2]rotaxanes to probe the steric and electrostatic interactions that dictate their mechanical switching at the single-molecule level. The fusion of experimental force spectroscopy and theoretical computational modeling has revealed that the repulsive electrostatic interaction, which is responsible for the molecular actuation, is as high as 65 kcal·mol−1, a result that is supported by ab initio calculations. PMID:16735470

Gait in adolescent idiopathic scoliosis: energy cost analysis.

PubMed

Mahaudens, P; Detrembleur, C; Mousny, M; Banse, X

2009-08-01

Walking is a very common activity for the human body. It is so common that the musculoskeletal and cardiovascular systems are optimized to have the minimum energetic cost at 4 km/h (spontaneous speed). A previous study showed that lumbar and thoracolumbar adolescent idiopathic scoliosis (AIS) patients exhibit a reduction of shoulder, pelvic, and hip frontal mobility during gait. A longer contraction duration of the spinal and pelvic muscles was also noted. The energetic cost (C) of walking is normally linked to the actual mechanical work muscles have to perform. This total mechanical work (W(tot)) can be divided in two parts: the work needed to move the shoulders and lower limbs relative to the center of mass of the body (COM(b)) is known as the internal work (W(int)), whereas additional work, known as external work (W(ext)), is needed to accelerate and lift up the COM(b) relative to the ground. Normally, the COM(b) goes up and down by 3 cm with every step. Pathological walking usually leads to an increase in W (tot) (often because of increased vertical displacement of the COM(b)), and consequently, it increases the energetic cost. The goal of this study is to investigate the effects of scoliosis and scoliosis severity on the mechanical work and energetic cost of walking. Fifty-four female subjects aged 12 to 17 were used in this study. Thirteen healthy girls were in the control group, 12 were in scoliosis group 1 (Cobb angle [Cb] < or = 20 degrees), 13 were in scoliosis group 2 (20 degrees < Cb < 40 degrees), and 16 were in scoliosis group 3 (Cb > or = 40 degrees). They were assessed by physical examination and gait analysis. The 41 scoliotic patients had an untreated progressive left thoracolumbar or lumbar AIS. During gait analysis, the subject was asked to walk on a treadmill at 4 km h(-1). Movements of the limbs were followed by six infrared cameras, which tracked markers fixed on the body. W(int) was calculated from the kinematics. The movements of the COM(b) were derived from the ground reaction forces, and W(ext) was calculated from the force signal. W(tot) was equal to W(int) + W(ext). Oxygen consumption VO2 was measured with a mask to calculate energetic cost (C) and muscular efficiency (W(tot)/C). Statistical comparisons between the groups were performed using an analysis of variance (ANOVA). The external work (W(ext)) and internal work (W(int)) were both reduced from 7 to 22% as a function of the severity of the scoliosis curve. Overall, the total muscular mechanical work (W(tot)) was reduced from 7% to 13% in the scoliosis patients. Within scoliosis groups, the W(ext) for the group 1 (Cb > or = 20 degrees) and 2 (20 < or = Cb < or = 40 degrees) was significantly different from group 3 (Cb > or = 40 degrees). No significant differences were observed between scoliosis groups for the W(int). The W(tot) did not showed any significant difference between scoliosis groups except between group 1 and 3. The energy cost and VO2 were increased by around 30%. As a result Muscle efficiency was significantly decreased by 23% to 32%, but no significant differences related to the severity of the scoliosis were noted. This study shows that scoliosis patients have inefficient muscles during walking. Muscle efficiency was so severely decreased that it could be used as a diagnostic tool, since every scoliosis patient had an average muscle efficiency below 27%, whereas every control had an average muscle efficiency above 27%. The reduction of mechanical work found in scoliotic patients has never been observed in any pathological gait, but it is interpreted as a long term adaptation to economize energy and face poor muscle efficiency. With a relatively stiff gait, scoliosis patients also limit vertical movement of the COM(b) (smoothing the gait) and consequently, reduce W(ext) and W(int). Inefficiency of scoliosis muscles was obvious even in mild scoliosis (group 1, Cb < 20 degrees) and could be related to the prolonged muscle contraction time observed in a previous study (muscle co-contraction).

Strategic Investment Plan Fiscal Year 1993.

DTIC Science & Technology

1993-09-01

Groundwater ........................ 283 Heavy Metals in Soils, Sludges, Sediments and Water .................... 321 Energetics in Soils and Groundwater...technologies and tools to achieve a design for reconfiguring existing PEP production facilities into agile factories which will reduce total life cycle wastes...facilities. When use of existing facilities is not practical, a special demonstration testbed may be built. The factory design will then be developed

Exciton generation/dissociation/charge-transfer enhancement in inorganic/organic hybrid solar cells by robust single nanocrystalline LnPxOy (Ln = Eu, Y) doping.

PubMed

Jin, Xiao; Sun, Weifu; Chen, Zihan; Wei, Taihuei; Chen, Chuyang; He, Xingdao; Yuan, Yongbiao; Li, Yue; Li, Qinghua

2014-06-11

Low-temperature solution-processed photovoltaics suffer from low efficiencies because of poor exciton or electron-hole transfer. Inorganic/organic hybrid solar cell, although still in its infancy, has attracted great interest thus far. One of the promising ways to enhance exciton dissociation or electron-hole transport is the doping of lanthanide phosphate ions. However, the underlying photophysical mechanism remains poorly understood. Herein, by applying femtosecond transient absorption spectroscopy, we successfully distinguished hot electron, less energetic electron, hole transport from electron-hole recombination. Concrete evidence has been provided that lanthanide phosphate doping improves the efficiency of both hot electron and "less energetic" electron transfers from donor to acceptor, but the hole transport almost remains unchanged. In particular, the hot electron transfer lifetime was shortened from 30.2 to 12.7 ps, that is, more than 60% faster than pure TiO2 acceptor. Such improvement was ascribed to the facts that the conduction band (CB) edge energy level of TiO2 has been elevated by 0.2 eV, while the valence band level almost remains unchanged, thus not only narrowing the energy offset between CB levels of TiO2 and P3HT, but also meanwhile enlarging the band gap of TiO2 itself that permits one to inhibit electron-hole recombination within TiO2. Consequently, lanthanide phosphate doped TiO2/P3HT bulk-heterojunction solar cell has been demonstrated to be a promising hybrid solar cell, and a notable power conversion efficiency of 2.91% is therefore attained. This work indicates that lanthanide compound ions can efficiently facilitate exciton generation, dissociation, and charge transport, thus enhancing photovoltaic performance.

Thermodynamics of Aryl-Dihydroxyphenyl-Thiadiazole Binding to Human Hsp90

PubMed Central

Kazlauskas, Egidijus; Petrikaitė, Vilma; Michailovienė, Vilma; Revuckienė, Jurgita; Matulienė, Jurgita; Grinius, Leonas; Matulis, Daumantas

2012-01-01

The design of specific inhibitors against the Hsp90 chaperone and other enzyme relies on the detailed and correct understanding of both the thermodynamics of inhibitor binding and the structural features of the protein-inhibitor complex. Here we present a detailed thermodynamic study of binding of aryl-dihydroxyphenyl-thiadiazole inhibitor series to recombinant human Hsp90 alpha isozyme. The inhibitors are highly potent, with the intrinsic Kd approximately equal to 1 nM as determined by isothermal titration calorimetry (ITC) and thermal shift assay (TSA). Dissection of protonation contributions yielded the intrinsic thermodynamic parameters of binding, such as enthalpy, entropy, Gibbs free energy, and the heat capacity. The differences in binding thermodynamic parameters between the series of inhibitors revealed contributions of the functional groups, thus providing insight into molecular reasons for improved or diminished binding efficiency. The inhibitor binding to Hsp90 alpha primarily depended on a large favorable enthalpic contribution combined with the smaller favorable entropic contribution, thus suggesting that their binding was both enthalpically and entropically optimized. The enthalpy-entropy compensation phenomenon was highly evident when comparing the inhibitor binding enthalpies and entropies. This study illustrates how detailed thermodynamic analysis helps to understand energetic reasons for the binding efficiency and develop more potent inhibitors that could be applied for therapeutic use as Hsp90 inhibitors. PMID:22655030

Density Functional Studies of Stoichiometric Surfaces of Orthorhombic Hybrid Perovskite CH3NH3PbI3

DOE PAGES

Wang, Yun; Huang, Jingsong; Sumpter, Bobby G.; ...

2014-12-19

Organic/inorganic hybrid perovskite materials are highly attractive for dye-sensitized solar cells as demonstrated by their rapid advances in energy conversion efficiency. In this work, the structures, energetics, and electronic properties for a range of stoichiometric surfaces of the orthorhombic perovskite CH3NH3PbI3 are theoretically studied using density functional theory. Various possible spatially and constitutionally isomeric surfaces are considered by diversifying the spatial orientations and connectivities of surface Pb-I bonds. The comparison of the surface energies for the most stable configurations identified for various surfaces shows that the stabilities of stoichiometric surfaces are mainly dictated by the coordination numbers of surface atoms,more » which are directly correlated with the numbers of broken bonds. Additionally, Coulombic interactions between I anions and organic countercations on the surface also contribute to the stabilization. Electronic properties are compared between the most stable (100) surface and the bulk phase, showing generally similar features except for the lifted band degeneracy and the enhanced bandgap energy for the surface. These studies on the stoichiometric surfaces serve as the first step toward gaining a fundamental understanding of the interfacial properties in the current structural design of perovskite based solar cells, in order to achieve further breakthroughs in solar conversion efficiencies.« less

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

Casperson, R. J.; Burke, J. T.; Hughes, R. O.

Directly measuring (n,2n) cross sections on short-lived actinides presents a number of experimental challenges. The surrogate reaction technique is an experimental method for measuring cross sections on short-­lived isotopes, and it provides a unique solution for measuring (n,2n) cross sections. This technique involves measuring a charged-­particle reaction cross section, where the reaction populates the same compound nucleus as the reaction of interest. To perform these surrogate (n,2n) cross section measurements, a silicon telescope array has been placed along a beam line at the Texas A&M University Cyclotron Institute, which is surrounded by a large tank of gadolinium-doped liquid scintillator, whichmore » acts as a neutron detector. The combination of the charge-particle and neutron-detector arrays is referred to as NeutronSTARS. In the analysis procedure for calculating the (n,2n) cross section, the neutron detection efficiency and time structure plays an important role. Due to the lack of availability of isotropic, mono-energetic neutron sources, modeling is an important component in establishing this efficiency and time structure. This report describes the NeutronSTARS array, which was designed and commissioned during this project. It also describes the surrogate reaction technique, specifically referencing a 235U(n,2n) commissioning measurement that was fielded during the past year. Advanced multiplicity analysis techniques have been developed for this work, which should allow for efficient analysis of 241Pu(n,2n) and 239Pu(n,2n) cross section measurements« less

Energy release for the actuation and deployment of muscle-inspired asymmetrically multistable chains

NASA Astrophysics Data System (ADS)

Kidambi, Narayanan; Zheng, Yisheng; Harne, Ryan L.; Wang, K. W.

2018-03-01

Animal locomotion and movement requires energy, and the elastic potential energy stored in skeletal muscle can facilitate movements that are otherwise energetically infeasible. A significant proportion of this energy is captured and stored in the micro- and nano-scale constituents of muscle near the point of instability between asymmetric equilibrium states. This energy may be quickly released to enable explosive macroscopic motions or to reduce the metabolic cost of cyclic movements. Inspired by these behaviors, this research explores modular metastructures of bistable element chains and develops methods to release the energy stored in higher-potential system configurations. Quasi-static investigations reveal the role of state-transition pathways on the overall efficiency of the deployment event. It is shown that sequential, local release of energy from the bistable elements is more efficient than concurrent energy release achieved by applying a force at the free end of the structure. From dynamic analyses and experiments, it is shown that that the energy released from one bistable element can be used to activate the release of energy from subsequent links, reducing the actuation energy required to extend or deploy the chain below that required for quasi-static deployment. This phenomenon is influenced by the level of asymmetry in the bistable constituents and the location of the impulse that initiates the deployment of the structure. The results provide insight into the design and behavior of asymmetrically multistable chains that can leverage stored potential energy to enable efficient and effective system deployment and length change.

The Manhattan Project; A very brief introduction to the physics of nuclear weapons

NASA Astrophysics Data System (ADS)

Reed, B. Cameron

2017-05-01

The development of nuclear weapons by the Manhattan Project during World War II was one of the most dramatic scientific/technological episodes in human history. This book, prepared by a recognized expert on the Manhattan Project, offers a concise survey of the essential physics concepts underlying fission weapons. The text describes the energetics and timescales of fast-neutron chain reactions, why only certain isotopes of uranium and plutonium are suitable for use in fission weapons, how critical mass and bomb yield can be estimated, how the efficiency of nuclear weapons can be enhanced, how the fissile forms of uranium and plutonium were obtained, some of the design details of the 'Little Boy' and 'Fat Man' bombs, and some of the thermal, shock, and radiation effects of nuclear weapons. Calculation exercises are provided, and a Bibliography lists authoritative print and online sources of information for readers who wish to pursue more detailed study of this fascinating topic.

Electrostatic protection of the solar power satellite and rectenna. Part 1: Protection of the solar power satellite

NASA Technical Reports Server (NTRS)

1980-01-01

Several features of the interactions of the Solar Power Satellite (SPS) with its space environment are examined theoretically. The voltages produced at various surfaces due to space plasmas and the plasma leakage currents through the kapton and sapphire solar cell blankets are calculated. At geosynchronous orbit, this parasitic power loss is only 0.7%, and is easily compensated by oversizing. At low Earth orbit, the power loss is potentially much larger (3%), and anomalous arcing is expected for the EOTV high voltage negative surfaces. Preliminary results of a three dimensional self consistent plasma and electric field computer program are presented, confirming the validity of the predictions made from the one dimensional models. Lastly, magnetic shielding of the satellite is considered to reduce the power drain and to protect the solar cells from energetic electron and plasma ion bombardment. It is concluded that minor modifications can allow the SPS to operate safely and efficiently in its space environment. Subsequent design changes will substantially alter the basic conclusions.

Computational catalyst screening: Scaling, bond-order and catalysis

DOE PAGES

Abild-Pedersen, Frank

2015-10-01

Here, the design of new and better heterogeneous catalysts needed to accommodate the growing demand for energy from renewable sources is an important challenge for coming generations. Most surface catalyzed processes involve a large number of complex reaction networks and the energetics ultimately defines the turn-over-frequency and the selectivity of the process. In order not to get lost in the large quantities of data, simplification schemes that still contain the key elements of the reaction are required. Adsorption and transition state scaling relations constitutes such a scheme that not only maps the reaction relevant information in terms of few parametersmore » but also provides an efficient way of screening for new materials in a continuous multi-dimensional energy space. As with all relations they impose certain restrictions on what can be achieved and in this paper, I show why these limitations exist and how we can change the behavior through an energy-resolved approach that still maintains the screening capabilities needed in computational catalysis.« less

Peptidic Macrocycles - Conformational Sampling and Thermodynamic Characterization

PubMed Central

2018-01-01

Macrocycles are of considerable interest as highly specific drug candidates, yet they challenge standard conformer generators with their large number of rotatable bonds and conformational restrictions. Here, we present a molecular dynamics-based routine that bypasses current limitations in conformational sampling and extensively profiles the free energy landscape of peptidic macrocycles in solution. We perform accelerated molecular dynamics simulations to capture a diverse conformational ensemble. By applying an energetic cutoff, followed by geometric clustering, we demonstrate the striking robustness and efficiency of the approach in identifying highly populated conformational states of cyclic peptides. The resulting structural and thermodynamic information is benchmarked against interproton distances from NMR experiments and conformational states identified by X-ray crystallography. Using three different model systems of varying size and flexibility, we show that the method reliably reproduces experimentally determined structural ensembles and is capable of identifying key conformational states that include the bioactive conformation. Thus, the described approach is a robust method to generate conformations of peptidic macrocycles and holds promise for structure-based drug design. PMID:29652495

Peptidic Macrocycles - Conformational Sampling and Thermodynamic Characterization.

PubMed

Kamenik, Anna S; Lessel, Uta; Fuchs, Julian E; Fox, Thomas; Liedl, Klaus R

2018-05-29

Macrocycles are of considerable interest as highly specific drug candidates, yet they challenge standard conformer generators with their large number of rotatable bonds and conformational restrictions. Here, we present a molecular dynamics-based routine that bypasses current limitations in conformational sampling and extensively profiles the free energy landscape of peptidic macrocycles in solution. We perform accelerated molecular dynamics simulations to capture a diverse conformational ensemble. By applying an energetic cutoff, followed by geometric clustering, we demonstrate the striking robustness and efficiency of the approach in identifying highly populated conformational states of cyclic peptides. The resulting structural and thermodynamic information is benchmarked against interproton distances from NMR experiments and conformational states identified by X-ray crystallography. Using three different model systems of varying size and flexibility, we show that the method reliably reproduces experimentally determined structural ensembles and is capable of identifying key conformational states that include the bioactive conformation. Thus, the described approach is a robust method to generate conformations of peptidic macrocycles and holds promise for structure-based drug design.

System Design of One-chip Wave Particle Interaction Analyzer for SCOPE mission.

NASA Astrophysics Data System (ADS)

Fukuhara, Hajime; Ueda, Yoshikatsu; Kojima, Hiro; Yamakawa, Hiroshi

In past science spacecrafts such like GEOTAIL, we usually capture electric and magnetic field waveforms and observe energetic eletron and ion particles as velocity distributions by each sensor. We analyze plasma wave-particle interactions by these respective data and the discussions are sometimes restricted by the difference of time resolution and by the data loss in desired regions. One-chip Wave Particle Interaction Analyzer (OWPIA) conducts direct quantitative observations of wave-particle interaction by direct 'E dot v' calculation on-board. This new instruments have a capability to use all plasma waveform data and electron particle informations. In the OWPIA system, we have to calibrate the digital observation data and transform the same coordinate system. All necessary calculations are processed in Field Programmable Gate Array(FPGA). In our study, we introduce a basic concept of the OWPIA system and a optimization method for each calculation functions installed in FPGA. And we also discuss the process speed, the FPGA utilization efficiency, the total power consumption.

Modeling of substrate and inhibitor binding to phospholipase A2.

PubMed

Sessions, R B; Dauber-Osguthorpe, P; Campbell, M M; Osguthorpe, D J

1992-09-01

Molecular graphics and molecular mechanics techniques have been used to study the mode of ligand binding and mechanism of action of the enzyme phospholipase A2. A substrate-enzyme complex was constructed based on the crystal structure of the apoenzyme. The complex was minimized to relieve initial strain, and the structural and energetic features of the resultant complex analyzed in detail, at the molecular and residue level. The minimized complex was then used as a basis for examining the action of the enzyme on modified substrates, binding of inhibitors to the enzyme, and possible reaction intermediate complexes. The model is compatible with the suggested mechanism of hydrolysis and with experimental data about stereoselectivity, efficiency of hydrolysis of modified substrates, and inhibitor potency. In conclusion, the model can be used as a tool in evaluating new ligands as possible substrates and in the rational design of inhibitors, for the therapeutic treatment of diseases such as rheumatoid arthritis, atherosclerosis, and asthma.

Predicting Catalytic Activity of Nanoparticles by a DFT-Aided Machine-Learning Algorithm.

PubMed

Jinnouchi, Ryosuke; Asahi, Ryoji

2017-09-07

Catalytic activities are often dominated by a few specific surface sites, and designing active sites is the key to realize high-performance heterogeneous catalysts. The great triumphs of modern surface science lead to reproduce catalytic reaction rates by modeling the arrangement of surface atoms with well-defined single-crystal surfaces. However, this method has limitations in the case for highly inhomogeneous atomic configurations such as on alloy nanoparticles with atomic-scale defects, where the arrangement cannot be decomposed into single crystals. Here, we propose a universal machine-learning scheme using a local similarity kernel, which allows interrogation of catalytic activities based on local atomic configurations. We then apply it to direct NO decomposition on RhAu alloy nanoparticles. The proposed method can efficiently predict energetics of catalytic reactions on nanoparticles using DFT data on single crystals, and its combination with kinetic analysis can provide detailed information on structures of active sites and size- and composition-dependent catalytic activities.

Application of X-ray imaging techniques to auroral monitoring

NASA Technical Reports Server (NTRS)

Rust, D. M.; Burstein, P.

1981-01-01

The precipitation of energetic particles into the ionosphere produces bremsstrahlung X-rays and K-alpha line emission from excited oxygen and nitrogen. If viewed from a spacecraft in a highly elliptical polar orbit, this soft (0.3 - 3.0 keV) X-radiation will provide an almost uninterrupted record of dayside and nightside auroras. A grazing incidence X-ray telescope especially designed for such auroral monitoring is described. High photon collection efficiency will permit exposure times of approximately 100 seconds during substorms. Spectrophotometry will allow users to derive the energy spectrum of the precipitating particles. If placed in a 15 earth-radius orbit, the telescope can produce auroral X-ray images with 30 km resolution. Absolute position of X-ray auroras can be established with a small optical telescope co-aligned with the X-ray telescope. Comparison of X-ray and optical images will establish the height and global distribution of X-ray aurorae, relative to well-known optical auroras, thus melding the new X-ray results with knowledge of optical auroras.

STEREO/SEPT particle observations during the CIR event on 2011 August 9

NASA Astrophysics Data System (ADS)

Dresing, N.; Heber, B.; Klassen, A.; Kühl, P.; Boettcher, S. I.; Gomez-Herrero, R.; Wraase, S.

2017-12-01

Among others, shocks are known to be accelerators of energetic charged particles. However, many questions regarding the acceleration efficiency and the required conditions are not fully understood. In particular, the acceleration of electrons by shocks is often questioned. Recurrent energetic particle events are caused by the passage of Corotating Interaction Regions (CIRs) that have been extensively analysed by different instrumentation close to Earth. Measurements of the Solar Electron and Proton Telescope aboard the Solar TErrestrial RElations Observatory are utilized in the solar heliospheric community to investigate electron events. Due to its measurement principle, the magnet foil technique, ions can contribute to the electron channel. This effect is well known. During recurrent energetic particle events the averaged helium to proton ration is enhanced to more than 10%. The energy per nucleon spectra are nearly the same for protons and helium. Although the electron intensity profile is influenced by an ion contamination during the shock crossings it is not obvious that electrons are not enhanced during such periods. Computation using a GEANT4 simulation of the SEPT instrument resulted in response function for ions and electrons. These response functions have been utilzed to analyze the recurrent energetic particle event that was was measured by STEREO B on August 9, 2011. Assuming a constant helium to proton ratio and energy spectra described by a Band function we found that electron and ion measurement can be explained by the contribution of helium and protons with an helium to proton ratio of about 16%. Thus no electron enhancements are needed to explain the SEPT measurements.

Universal Disorder in Organic Semiconductors Due to Fluctuations in Space Charge

NASA Astrophysics Data System (ADS)

Wu, Tzu-Cheng

This thesis concerns the study of charge transport in organic semiconductors. These materials are widely used as thin-film photoconductors in copiers and laser printers, and for their electroluminescent properties in organic light-emitting diodes. Much contemporary research is directed towards improving the efficiency of organic photovoltaic devices, which is limited to a large extent by the spatial and energetic disorder that hinders the charge mobility. One contribution to energetic disorder arises from the strong Coulomb interactions between injected charges with one another, but to date this has been largely ignored. We present a mean-field model for the effect of mutual interactions between injected charges hopping from site to site in an organic semiconductor. Our starting point is a modified Fröhlich Hamiltonian in which the charge is linearly coupled to the amplitudes of a wide band of dispersionless plasma modes having a Lorentzian distribution of frequencies. We show that in most applications of interest the hopping rates are fast enough while the plasma frequencies are low enough that random thermal fluctuations in the plasma density give rise to an energetically disordered landscape that is effectively stationary for many thousands of hops. Moreover, the distribution of site energies is Gaussian, and the energy-energy correlation function decays inversely with distance; as such, it can be argued that this disorder contributes to the Poole-Frenkel field dependence seen in a wide variety of experiments. Remarkably, the energetic disorder is universal; although it is caused by the fluctuations in the charge density, it is independent of the charge concentration.

Energetic evolution of cellular Transportomes.

PubMed

Darbani, Behrooz; Kell, Douglas B; Borodina, Irina

2018-05-30

Transporter proteins mediate the translocation of substances across the membranes of living cells. Many transport processes are energetically expensive and the cells use 20 to 60% of their energy to power the transportomes. We hypothesized that there may be an evolutionary selection pressure for lower energy transporters. We performed a genome-wide analysis of the compositional reshaping of the transportomes across the kingdoms of bacteria, archaea, and eukarya. We found that the share of ABC transporters is much higher in bacteria and archaea (ca. 27% of the transportome) than in primitive eukaryotes (13%), algae and plants (10%) and in fungi and animals (5-6%). This decrease is compensated by an increased occurrence of secondary transporters and ion channels. The share of ion channels is particularly high in animals (ca. 30% of the transportome) and algae and plants with (ca. 13%), when compared to bacteria and archaea with only 6-7%. Therefore, our results show a move to a preference for the low-energy-demanding transporters (ion channels and carriers) over the more energy-costly transporter classes (ATP-dependent families, and ABCs in particular) as part of the transition from prokaryotes to eukaryotes. The transportome analysis also indicated seven bacterial species, including Neorickettsia risticii and Neorickettsia sennetsu, as likely origins of the mitochondrion in eukaryotes, based on the phylogenetically restricted presence therein of clear homologues of modern mitochondrial solute carriers. The results indicate that the transportomes of eukaryotes evolved strongly towards a higher energetic efficiency, as ATP-dependent transporters diminished and secondary transporters and ion channels proliferated. These changes have likely been important in the development of tissues performing energetically costly cellular functions.

Manipulating Energetic Ion Velocity Space to Control Instabilities and Improve Tokamak Performance

NASA Astrophysics Data System (ADS)

Pace, David C.

2017-10-01

The first-ever demonstration of independent current (I) and voltage (V) control of high power neutral beams in tokamak plasma shots has successfully reduced the prevalence of instabilities and improved energetic ion confinement in experiments at the DIII-D tokamak. Energetic ions drive Alfvén eigenmode (AE) instabilities through a resonant energy exchange that can increase radial diffusion of the ions, thereby reducing beam heating and current drive efficiency. This resonance is incredibly sensitive to the ion velocity and orbit topology, which then allows changes in beam voltage (keeping the injected power constant through compensating changes in current) to remove nearly all instability drive. The implementation of temporal control of beam current and voltage allows for a reduction in the resonant energetic ion velocity space while maintaining the ability to inject maximum power. DIII-D low confinement (L-mode) plasmas demonstrate a nearly complete avoidance of AE activity in plasmas with 55 kV beam injection compared to the many AEs that are observed in plasmas featuring similar total beam power at 70 kV. Across the experimental range of beam settings, resulting increases in beam divergence have been inconsequential. High performance steady-state scenarios featuring equilibria that are conducive to dense arrays of Alfvén waves benefit the most from instability control mechanisms. One such scenario, the so-called high qmin scenario, demonstrates improved confinement and equilibrium evolution when the injected beam voltage begins at lower values (i.e., fewer resonances) and then increases as the plasma reaches its stationary period. These results suggest a future in which plasma confinement and performance is improved through continuous feedback control of auxiliary heating systems such that the energetic ion distribution is constantly adapted to produce an optimal plasma state. Work supported by US DOE under DE-FC02-04ER54698.

Nitrogen-rich salts based on the energetic [monoaquabis(N,N-bis(1H-tetrazol-5-yl)amine)-zinc(II)] anion: a promising design in the development of new energetic materials.

PubMed

Li, Fugang; Bi, Yangang; Zhao, Wenyuan; Zhang, Tonglai; Zhou, Zunning; Yang, Li

2015-02-16

Nitrogen-rich energetic salts involving various cations (lithium, 1; ammonium, 2; hydrazinium, 3; hydroxylammonium, 4; guanidinium, 5; aminoguanidinium, 6; diaminoguanidinium, 7; and triaminoguanidinium, 8) based on nitrogen-rich anion [Zn(BTA)2(H2O)](2-) (N% = 65.37, BTA = N,N-bis[1H-tetrazol-5-yl]amine anion) were synthesized with a simple method. The crystal structures of all compounds except 1, 2, and 6 were determined by single-crystal X-ray diffraction and fully characterized by elemental analysis and FT-IR spectroscopy. The thermal stabilities were investigated by differential scanning calorimetry (DSC). The DSC results show that all compounds exhibit high thermal stabilities (decomposition temperature >200 °C). Additionally, the heats of formation were calculated on the basis of the experimental constant-volume energies of combustion measured by using bomb calorimetry. Lastly, the sensitivities toward impact and friction were assessed according to Bundesamt für Materialforschung (BAM) standard methods.

Co-evolution of upstream waves and accelerated ions at parallel shocks

NASA Astrophysics Data System (ADS)

Fujimoto, M.; Sugiyama, T.

2016-12-01

Shock waves in space plasmas have been considered as the agents for various particle acceleration phenomena. The basic idea behind shock acceleration is that particles are accelerated as they move back-and-forth across a shock front. Detailed studies of ion acceleration at the terrestrial bow shock have been performed, however, the restricted maximum energies attained prevent a straight-forward application of obtained knowledge to more energetic astrophysical situations. Here we show by a large-scale self-consistent particle simulation that the co-evolution of magnetic turbulence and accelerated ion population is the foundation for continuous operation of shock acceleration to ever higher energies. Magnetic turbulence is created by ions reflected back upstream of a parallel shock front. The co-evolution arises because more energetic ions excite waves of longer wavelengths, and because longer wavelength modes are capable of scattering (in the upstream) and reflecting (at the shock front) more energetic ions. Via carefully designed numerical experiments, we show very clearly that this picture is true.

Molecular Theory of Detonation Initiation: Insight from First Principles Modeling of the Decomposition Mechanisms of Organic Nitro Energetic Materials.

PubMed

Tsyshevsky, Roman V; Sharia, Onise; Kuklja, Maija M

2016-02-19

This review presents a concept, which assumes that thermal decomposition processes play a major role in defining the sensitivity of organic energetic materials to detonation initiation. As a science and engineering community we are still far away from having a comprehensive molecular detonation initiation theory in a widely agreed upon form. However, recent advances in experimental and theoretical methods allow for a constructive and rigorous approach to design and test the theory or at least some of its fundamental building blocks. In this review, we analyzed a set of select experimental and theoretical articles, which were augmented by our own first principles modeling and simulations, to reveal new trends in energetic materials and to refine known existing correlations between their structures, properties, and functions. Our consideration is intentionally limited to the processes of thermally stimulated chemical reactions at the earliest stage of decomposition of molecules and materials containing defects.

Molecular Theory of Detonation Initiation: Insight from First Principles Modeling of the Decomposition Mechanisms of Organic Nitro Energetic Materials

DOE PAGES

Tsyshevsky, Roman; Sharia, Onise; Kuklja, Maija

2016-02-19

Our review presents a concept, which assumes that thermal decomposition processes play a major role in defining the sensitivity of organic energetic materials to detonation initiation. As a science and engineering community we are still far away from having a comprehensive molecular detonation initiation theory in a widely agreed upon form. However, recent advances in experimental and theoretical methods allow for a constructive and rigorous approach to design and test the theory or at least some of its fundamental building blocks. In this review, we analyzed a set of select experimental and theoretical articles, which were augmented by our ownmore » first principles modeling and simulations, to reveal new trends in energetic materials and to refine known existing correlations between their structures, properties, and functions. Lastly, our consideration is intentionally limited to the processes of thermally stimulated chemical reactions at the earliest stage of decomposition of molecules and materials containing defects.« less

Novel Energetic Compounds Based on 3-Methyl-1,2,5-Oxadiazole 2-Oxide

NASA Astrophysics Data System (ADS)

Xu, Zhen; Yang, Hongwei; Cheng, Guangbin

2018-01-01

Two derivatives of 3-methyl-1,2,5-oxadiazole 2-oxide, (E) 4-methyl-1,2,5-oxadiazole-3-carboxaldehyde 5-oxide (2,4,6-trinitrophenyl)hydrazone (1) and 2,2,2-trinitroethyl 4-methyl-1,2,5-oxadiazole-3-carboxylate 5-oxide (2), were designed, synthesized, and fully characterized. The structures of the new compounds were confirmed by single-crystal X-ray analysis. Physicochemical and energetic properties including density, thermal stability, and sensitivity were investigated, and energetic properties (e.g., detonation velocities and detonation pressures) were calculated using EXPLO5 code. The results indicated that compound 1 exhibits positive heat of formation of 448.0 kJ mol-1 and acceptable sensitivities (IS: 20 J, FS: 280 N). In addition, compound 2 possesses low melting point (99.92°C), moderate decomposition temperature (183.67°C), good detonation performances (D: 8430 m s-1; P: 31.5 GPa), and lower sensitivities (IS: 18 J; FS: 220 N), which suggest 2 has the potential to be melt-cast explosive.

Limitations imposed by wearing armour on Medieval soldiers' locomotor performance.

PubMed

Askew, Graham N; Formenti, Federico; Minetti, Alberto E

2012-02-22

In Medieval Europe, soldiers wore steel plate armour for protection during warfare. Armour design reflected a trade-off between protection and mobility it offered the wearer. By the fifteenth century, a typical suit of field armour weighed between 30 and 50 kg and was distributed over the entire body. How much wearing armour affected Medieval soldiers' locomotor energetics and biomechanics is unknown. We investigated the mechanics and the energetic cost of locomotion in armour, and determined the effects on physical performance. We found that the net cost of locomotion (C(met)) during armoured walking and running is much more energetically expensive than unloaded locomotion. C(met) for locomotion in armour was 2.1-2.3 times higher for walking, and 1.9 times higher for running when compared with C(met) for unloaded locomotion at the same speed. An important component of the increased energy use results from the extra force that must be generated to support the additional mass. However, the energetic cost of locomotion in armour was also much higher than equivalent trunk loading. This additional cost is mostly explained by the increased energy required to swing the limbs and impaired breathing. Our findings can predict age-associated decline in Medieval soldiers' physical performance, and have potential implications in understanding the outcomes of past European military battles.

Mechanisms and Kinetics of Alkaline Hydrolysis of the Energetic Nitroaromatic Compounds 2,4,6-Trinitrotoluene (TNT) and 2,4-Dinitroanisole (DNAN)

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

Salter-Blanc, Alexandra J.; Bylaska, Eric J.; Ritchie, Julia J.

2013-07-02

The environmental impacts of energetic compounds can be minimized through the design and selection of new energetic materials with favorable fate properties. Building predictive models to inform this process, however, is difficult because of uncertainties and complexities in some major fate-determining transformation reactions such as the alkaline hydrolysis of energetic nitroaromatic compounds (NACs). Prior work on the mechanisms of the reaction between NACs and OH– has yielded inconsistent results. In this study, the alkaline hydrolysis of 2,4,6-trinitrotoluene (TNT) and 2,4-dinitroanisole (DNAN) was investigated with coordinated experimental kinetic measurements and molecular modeling calculations. For TNT, the results suggest reversible formation ofmore » an initial product, which is likely either a Meisenheimer complex or a TNT anion formed by abstraction of a methyl proton by OH–. For DNAN, the results suggest that a Meisenheimer complex is an intermediate in the formation of 2,4-dinitrophenolate. Despite these advances, the remaining uncertainties in the mechanisms of these reactions—and potential variability between the hydrolysis mechanisms for different NACs—mean that it is not yet possible to generalize the results into predictive models (e.g., quantitative structure–activity relationships, QSARs) for hydrolysis of other NACs.« less

Mechanisms and kinetics of alkaline hydrolysis of the energetic nitroaromatic compounds 2,4,6-trinitrotoluene (TNT) and 2,4-dinitroanisole (DNAN).

PubMed

Salter-Blanc, Alexandra J; Bylaska, Eric J; Ritchie, Julia J; Tratnyek, Paul G

2013-07-02

The environmental impacts of energetic compounds can be minimized through the design and selection of new energetic materials with favorable fate properties. Building predictive models to inform this process, however, is difficult because of uncertainties and complexities in some major fate-determining transformation reactions such as the alkaline hydrolysis of energetic nitroaromatic compounds (NACs). Prior work on the mechanisms of the reaction between NACs and OH(-) has yielded inconsistent results. In this study, the alkaline hydrolysis of 2,4,6-trinitrotoluene (TNT) and 2,4-dinitroanisole (DNAN) was investigated with coordinated experimental kinetic measurements and molecular modeling calculations. For TNT, the results suggest reversible formation of an initial product, which is likely either a Meisenheimer complex or a TNT anion formed by abstraction of a methyl proton by OH(-). For DNAN, the results suggest that a Meisenheimer complex is an intermediate in the formation of 2,4-dinitrophenolate. Despite these advances, the remaining uncertainties in the mechanisms of these reactions-and potential variability between the hydrolysis mechanisms for different NACs-mean that it is not yet possible to generalize the results into predictive models (e.g., quantitative structure-activity relationships, QSARs) for hydrolysis of other NACs.

Limitations imposed by wearing armour on Medieval soldiers' locomotor performance

PubMed Central

Askew, Graham N.; Formenti, Federico; Minetti, Alberto E.

2012-01-01

In Medieval Europe, soldiers wore steel plate armour for protection during warfare. Armour design reflected a trade-off between protection and mobility it offered the wearer. By the fifteenth century, a typical suit of field armour weighed between 30 and 50 kg and was distributed over the entire body. How much wearing armour affected Medieval soldiers' locomotor energetics and biomechanics is unknown. We investigated the mechanics and the energetic cost of locomotion in armour, and determined the effects on physical performance. We found that the net cost of locomotion (Cmet) during armoured walking and running is much more energetically expensive than unloaded locomotion. Cmet for locomotion in armour was 2.1–2.3 times higher for walking, and 1.9 times higher for running when compared with Cmet for unloaded locomotion at the same speed. An important component of the increased energy use results from the extra force that must be generated to support the additional mass. However, the energetic cost of locomotion in armour was also much higher than equivalent trunk loading. This additional cost is mostly explained by the increased energy required to swing the limbs and impaired breathing. Our findings can predict age-associated decline in Medieval soldiers' physical performance, and have potential implications in understanding the outcomes of past European military battles. PMID:21775328

Design of integrated laser initiator

NASA Astrophysics Data System (ADS)

Cao, Chunqiang; He, Aifeng; Jing, Bo; Ma, Yue

2018-03-01

This paper analyzes the design principle of integrated laser detonator, introduces the design method of integrated laser Detonators. Based on the integrated laser detonator, structure, laser energy -exchange device, circuit design and the energetic material properties and the charge parameters, developed a high level of integration Antistatic ability Small size of the integrated laser prototype Detonator. The laser detonator prototype antistatic ability of 25 kV. The research of this paper can solve the key design of laser detonator miniaturization and integration of weapons and equipment, satisfy the electromagnetic safety and micro weapons development of explosive demand.

Microstructure design for fast oxygen conduction

DOE PAGES

Aidhy, Dilpuneet S.; Weber, William J.

2015-11-11

Research from the last decade has shown that in designing fast oxygen conducting materials for electrochemical applications has largely shifted to microstructural features, in contrast to material-bulk. In particular, understanding oxygen energetics in heterointerface materials is currently at the forefront, where interfacial tensile strain is being considered as the key parameter in lowering oxygen migration barriers. Nanocrystalline materials with high densities of grain boundaries have also gathered interest that could possibly allow leverage over excess volume at grain boundaries, providing fast oxygen diffusion channels similar to those previously observed in metals. In addition, near-interface phase transformations and misfit dislocations aremore » other microstructural phenomenon/features that are being explored to provide faster diffusion. In this review, the current understanding on oxygen energetics, i.e., thermodynamics and kinetics, originating from these microstructural features is discussed. Moreover, our experimental observations, theoretical predictions and novel atomistic mechanisms relevant to oxygen transport are highlighted. In addition, the interaction of dopants with oxygen vacancies in the presence of these new microstructural features, and their future role in the design of future fast-ion conductors, is outlined.« less

Heterocyclic energetic materials: Synthesis, characterization and computational design

NASA Astrophysics Data System (ADS)

Tsyshevsky, Roman; Pagoria, Philip; Smirnov, Aleksander; Kuklja, Maija

2017-06-01

Achievement of the tailored properties (high performance, low sensitivity, etc.) in targeted new energetic materials (EM) remains a great challenge. Recently, attention of researchers has shifted from conventional nitroester-, nitramine-, and nitroaromatic-based explosives to new heterocyclic EM with oxygen- and nitrogenrich molecular structures. They have increased densities and formation enthalpies complemented by attractive performance and high stability to external stimuli. We will demonstrate that oxadiazol-containing heterocycles offer a convenient playground to probe specific chemical functional groups as building blocks for design of EM. We discuss a joint experimental and computational approach for design, characterization, synthesis, and modeling of novel heterocyclic EM. Combinatorically, we comprehensively analyzed how overall stability and performance of each material in the family (BNFF, LLM-172, LLM-175, LLM-191, LLM-192, LLM-200) depends upon their chemical composition and details of the molecular structure (such as a substitution of a nitro group by an amino group and 1,2,5-oxadiazole fragment by 1,2,3- or 1,2,4-oxadiazol ring). We will also discuss proposed new EM with predicted superior chemical and physical properties. P. Pagoria, R. Tsyshevsky, A. Smirnov.

Electrical-field-induced magnetic Skyrmion ground state in a two-dimensional chromium tri-iodide ferromagnetic monolayer

NASA Astrophysics Data System (ADS)

Liu, Jie; Shi, Mengchao; Mo, Pinghui; Lu, Jiwu

2018-05-01

Using fully first-principles non-collinear self-consistent field density functional theory (DFT) calculations with relativistic spin-orbital coupling effects, we show that, by applying an out-of-plane electrical field on a free-standing two-dimensional chromium tri-iodide (CrI3) ferromagnetic monolayer, the Néel-type magnetic Skyrmion spin configurations become more energetically-favorable than the ferromagnetic spin configurations. It is revealed that the topologically-protected Skyrmion ground state is caused by the breaking of inversion symmetry, which induces the non-trivial Dzyaloshinskii-Moriya interaction (DMI) and the energetically-favorable spin-canting configuration. Combining the ferromagnetic and the magnetic Skyrmion ground states, it is shown that 4-level data can be stored in a single monolayer-based spintronic device, which is of practical interests to realize the next-generation energy-efficient quaternary logic devices and multilevel memory devices.

Aerodynamic study of a stall regulated horizontal-axis wind turbine

NASA Astrophysics Data System (ADS)

Constantinescu, S. G.; Crunteanu, D. E.; Niculescu, M. L.

2013-10-01

The wind energy is deemed as one of the most durable energetic variants of the future because the wind resources are immense. Furthermore, one predicts that the small wind turbines will play a vital role in the urban environment. Unfortunately, the complexity and the price of pitch regulated small horizontal-axis wind turbines represent ones of the main obstacles to widespread the use in populated zones. Moreover, the energetic efficiency of small stall regulated wind turbines has to be high even at low and medium wind velocities because, usually the cities are not windy places. During the running stall regulated wind turbines, due to the extremely broad range of the wind velocity, the angle of attack can reach high values and some regions of the blade will show stall and post-stall behavior. This paper deals with stall and post-stall regimes because they can induce significant vibrations, fatigue and even the wind turbine failure.

Solute-defect interactions in Al-Mg alloys from diffusive variational Gaussian calculations

NASA Astrophysics Data System (ADS)

Dontsova, E.; Rottler, J.; Sinclair, C. W.

2014-11-01

Resolving atomic-scale defect topologies and energetics with accurate atomistic interaction models provides access to the nonlinear phenomena inherent at atomic length and time scales. Coarse graining the dynamics of such simulations to look at the migration of, e.g., solute atoms, while retaining the rich atomic-scale detail required to properly describe defects, is a particular challenge. In this paper, we present an adaptation of the recently developed "diffusive molecular dynamics" model to describe the energetics and kinetics of binary alloys on diffusive time scales. The potential of the technique is illustrated by applying it to the classic problems of solute segregation to a planar boundary (stacking fault) and edge dislocation in the Al-Mg system. Our approach provides fully dynamical solutions in situations with an evolving energy landscape in a computationally efficient way, where atomistic kinetic Monte Carlo simulations are difficult or impractical to perform.

An absence of neutrinos associated with cosmic-ray acceleration in γ-ray bursts

NASA Astrophysics Data System (ADS)

Abbasi, R.; Abdou, Y.; Abu-Zayyad, T.; Ackermann, M.; Adams, J.; Aguilar, J. A.; Ahlers, M.; Altmann, D.; Andeen, K.; Auffenberg, J.; Bai, X.; Baker, M.; Barwick, S. W.; Bay, R.; Bazo Alba, J. L.; Beattie, K.; Beatty, J. J.; Bechet, S.; Becker, J. K.; Becker, K.-H.; Bell, M.; Benabderrahmane, M. L.; Benzvi, S.; Berdermann, J.; Berghaus, P.; Berley, D.; Bernardini, E.; Bertrand, D.; Besson, D. Z.; Bindig, D.; Bissok, M.; Blaufuss, E.; Blumenthal, J.; Boersma, D. J.; Bohm, C.; Bose, D.; Böser, S.; Botner, O.; Brayeur, L.; Brown, A. M.; Buitink, S.; Caballero-Mora, K. S.; Carson, M.; Casier, M.; Chirkin, D.; Christy, B.; Clevermann, F.; Cohen, S.; Colnard, C.; Cowen, D. F.; Cruz Silva, A. H.; D'Agostino, M. V.; Danninger, M.; Daughhetee, J.; Davis, J. C.; de Clercq, C.; Degner, T.; Descamps, F.; Desiati, P.; de Vries-Uiterweerd, G.; Deyoung, T.; Díaz-Vélez, J. C.; Dierckxsens, M.; Dreyer, J.; Dumm, J. P.; Dunkman, M.; Eisch, J.; Ellsworth, R. W.; Engdegård, O.; Euler, S.; Evenson, P. A.; Fadiran, O.; Fazely, A. R.; Fedynitch, A.; Feintzeig, J.; Feusels, T.; Filimonov, K.; Finley, C.; Fischer-Wasels, T.; Flis, S.; Franckowiak, A.; Franke, R.; Gaisser, T. K.; Gallagher, J.; Gerhardt, L.; Gladstone, L.; Glüsenkamp, T.; Goldschmidt, A.; Goodman, J. A.; Góra, D.; Grant, D.; Griesel, T.; Groß, A.; Grullon, S.; Gurtner, M.; Ha, C.; Haj Ismail, A.; Hallgren, A.; Halzen, F.; Han, K.; Hanson, K.; Heereman, D.; Heinen, D.; Helbing, K.; Hellauer, R.; Hickford, S.; Hill, G. C.; Hoffman, K. D.; Hoffmann, B.; Homeier, A.; Hoshina, K.; Huelsnitz, W.; Hülβ, J.-P.; Hulth, P. O.; Hultqvist, K.; Hussain, S.; Ishihara, A.; Jacobi, E.; Jacobsen, J.; Japaridze, G. S.; Johansson, H.; Kappes, A.; Karg, T.; Karle, A.; Kiryluk, J.; Kislat, F.; Klein, S. R.; Köhne, J.-H.; Kohnen, G.; Kolanoski, H.; Köpke, L.; Kopper, S.; Koskinen, D. J.; Kowalski, M.; Kowarik, T.; Krasberg, M.; Kroll, G.; Kunnen, J.; Kurahashi, N.; Kuwabara, T.; Labare, M.; Laihem, K.; Landsman, H.; Larson, M. J.; Lauer, R.; Lünemann, J.; Madsen, J.; Marotta, A.; Maruyama, R.; Mase, K.; Matis, H. S.; Meagher, K.; Merck, M.; Mészáros, P.; Meures, T.; Miarecki, S.; Middell, E.; Milke, N.; Miller, J.; Montaruli, T.; Morse, R.; Movit, S. M.; Nahnhauer, R.; Nam, J. W.; Naumann, U.; Nowicki, S. C.; Nygren, D. R.; Odrowski, S.; Olivas, A.; Olivo, M.; O'Murchadha, A.; Panknin, S.; Paul, L.; Pérez de Los Heros, C.; Piegsa, A.; Pieloth, D.; Posselt, J.; Price, P. B.; Przybylski, G. T.; Rawlins, K.; Redl, P.; Resconi, E.; Rhode, W.; Ribordy, M.; Richman, M.; Riedel, B.; Rizzo, A.; Rodrigues, J. P.; Rothmaier, F.; Rott, C.; Ruhe, T.; Rutledge, D.; Ruzybayev, B.; Ryckbosch, D.; Sander, H.-G.; Santander, M.; Sarkar, S.; Schatto, K.; Schmidt, T.; Schöneberg, S.; Schönwald, A.; Schukraft, A.; Schulte, L.; Schultes, A.; Schulz, O.; Schunck, M.; Seckel, D.; Semburg, B.; Seo, S. H.; Sestayo, Y.; Seunarine, S.; Silvestri, A.; Smith, M. W. E.; Spiczak, G. M.; Spiering, C.; Stamatikos, M.; Stanev, T.; Stezelberger, T.; Stokstad, R. G.; Stößl, A.; Strahler, E. A.; Ström, R.; Stüer, M.; Sullivan, G. W.; Taavola, H.; Taboada, I.; Tamburro, A.; Ter-Antonyan, S.; Tilav, S.; Toale, P. A.; Toscano, S.; Tosi, D.; van Eijndhoven, N.; van Overloop, A.; van Santen, J.; Vehring, M.; Voge, M.; Walck, C.; Waldenmaier, T.; Wallraff, M.; Walter, M.; Wasserman, R.; Weaver, Ch.; Wendt, C.; Westerhoff, S.; Whitehorn, N.; Wiebe, K.; Wiebusch, C. H.; Williams, D. R.; Wischnewski, R.; Wissing, H.; Wolf, M.; Wood, T. R.; Woschnagg, K.; Xu, C.; Xu, D. L.; Xu, X. W.; Yanez, J. P.; Yodh, G.; Yoshida, S.; Zarzhitsky, P.; Zoll, M.; IceCube Collaboration

2012-04-01

Very energetic astrophysical events are required to accelerate cosmic rays to above 1018electronvolts. GRBs (γ-ray bursts) have been proposed as possible candidate sources. In the GRB `fireball' model, cosmic-ray acceleration should be accompanied by neutrinos produced in the decay of charged pions created in interactions between the high-energy cosmic-ray protons and γ-rays. Previous searches for such neutrinos found none, but the constraints were weak because the sensitivity was at best approximately equal to the predicted flux. Here we report an upper limit on the flux of energetic neutrinos associated with GRBs that is at least a factor of 3.7 below the predictions. This implies either that GRBs are not the only sources of cosmic rays with energies exceeding 1018electronvolts or that the efficiency of neutrino production is much lower than has been predicted.

Resolving ultrafast exciton migration in organic solids at the nanoscale

NASA Astrophysics Data System (ADS)

Ginsberg, Naomi

The migration of Frenkel excitons, tightly-bound electron-hole pairs, in photosynthesis and in organic semiconducting films is critical to the efficiency of natural and artificial light harvesting. While these materials exhibit a high degree of structural heterogeneity on the nanoscale, traditional measurements of exciton migration lengths are performed on bulk samples. Since both the characteristic length scales of structural heterogeneity and the reported bulk diffusion lengths are smaller than the optical diffraction limit, we adapt far-field super-resolution fluorescence imaging to uncover the correlations between the structural and energetic landscapes that the excitons explore. By combining the ultrafast super-resolved measurements with exciton hopping simulations we furthermore specify the nature (in addition to the extent) of exciton migration as a function of the intrinsic and ensemble chromophore energy scales that determine a spatio-energetic landscape for migration. In collaboration with: Samuel Penwell, Lucas Ginsberg, University of California, Berkeley and Rodrigo Noriega University of Utah.

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

Sunden, Fanny; Peck, Ariana; Salzman, Julia

Enzymes enable life by accelerating reaction rates to biological timescales. Conventional studies have focused on identifying the residues that have a direct involvement in an enzymatic reaction, but these so-called ‘catalytic residues’ are embedded in extensive interaction networks. Although fundamental to our understanding of enzyme function, evolution, and engineering, the properties of these networks have yet to be quantitatively and systematically explored. We dissected an interaction network of five residues in the active site of Escherichia coli alkaline phosphatase. Analysis of the complex catalytic interdependence of specific residues identified three energetically independent but structurally interconnected functional units with distinct modesmore » of cooperativity. From an evolutionary perspective, this network is orders of magnitude more probable to arise than a fully cooperative network. From a functional perspective, new catalytic insights emerge. Further, such comprehensive energetic characterization will be necessary to benchmark the algorithms required to rationally engineer highly efficient enzymes.« less

Understanding the Relationships Between Architecture, Chemistry, and Energy Release of Energetic Nanocomposites

NASA Astrophysics Data System (ADS)

DeLisio, Jeffery Brandon

Energetic nanocomposites are a class of reactive material that incorporate nanosized materials or features in order to enhance reaction kinetics and energy densities. Typically, these systems employ metal nanoparticles as the fuel source and have demonstrated reactivities orders of magnitude larger than more traditionally used micron-sized metal fuels. One drawback of using nanosized metals is that the nascent oxide shell comprises a significant weight percent as the particle size decreases. This shell also complicates the understanding of oxidation mechanisms of nanosized metal fuels. In this dissertation, I apply a two-fold approach to understanding the relationships between architecture, chemistry, and energy release of energetic nanocomposites by 1) investigating alternative metal fuels to develop a deeper understanding of the reaction mechanisms of energetic nanocomposites and 2) creating unique microstructures to tailor macroscopic properties allowing for customizability of energetic performance. In order to accurately study these systems, new analytical techniques capable of high heating rate analysis were developed. The oxidation mechanisms of tantalum nanoparticles was first probed using high heating rate TEM and Temperature-Jump Time-of-Flight Mass Spectrometry (T-Jump TOFMS) and shell crystallization was found to plan an important role in the mechanism. An air-sensitive sample holder was developed and employed to analyze the decomposition and oxidation of molecular aluminum compounds, which theoretically can achieve similar energy release rates to monomolecular explosives in addition to much higher energy densities. In order to obtain simultaneous thermal and speciation data at high heating rates, a nanocalorimeter was integrated into the TOFMS system and measurements were performed on Al/CuO nanolaminates to probe the effect of bilayer thickness on energy release. An electrospray based approach to creating energetic nanocomposites with tunable architectures is also described. An in depth study on the electrospray synthesized nAl/PVDF thin film reaction mechanism was performed using T-Jump TOFMS. The nAl/PVDF system was also studied using a Molecular Beam Sampling Time-of-Flight Mass Spectrometer designed and built primarily to investigate the reaction mechanisms of energetic nanocomposites at 1 atm in both aerobic and anaerobic environments.

SITE TECHNOLOGY CAPSULE: J.R. SIMPLOT EX-SITU BIOREMEDIATION TECHNOLOGY: DINOSEB

EPA Science Inventory

The J.R. Simplot Ex-Situ Bioremediation Technology is designed to anaerobically degrade nitroaromatic and energetic compounds in soils and liquids without forming identifiable toxic intermediate compounds produced by other biotreatment methods. This technology was evaluated un...

Influence of Roost Site Selection on the Energetic Efficiency and Distribution of Starlings and Blackbirds: A Way of Controlling Blackbird Populations Near Airports.

DTIC Science & Technology

1981-05-01

differences present since males and females are sexually dimorphic with regard to body weight and MR is affected by the size of t the bird. Hart (1962...810). Birds were kept at ambient temperatures ranging from 5.0 to -10.0 C on natural photoperiods and were provided turkey pellets (Ralston Purina Co

Critical Role of Water and Oxygen Defects in C-O Scission during CO2 Reduction on Zn2GeO4(010).

PubMed

Yang, Jing; Li, Yanlu; Zhao, Xian; Fan, Weiliu

2018-03-27

Exploration of catalyst structure and environmental sensitivity for C-O bond scission is essential for improving the conversion efficiency because of the inertness of CO 2 . We performed density functional theory calculations to understand the influence of the properties of adsorbed water and the reciprocal action with oxygen vacancy on the CO 2 dissociation mechanism on Zn 2 GeO 4 (010). When a perfect surface was hydrated, the introduction of H 2 O was predicted to promote the scission step by two modes based on its appearance, with the greatest enhancement from dissociative adsorbed H 2 O. The dissociative H 2 O lowers the barrier and reaction energy of CO 2 dissociation through hydrogen bonding to preactivate the C-O bond and assisted scission via a COOH intermediate. The perfect surface with bidentate-binding H 2 O was energetically more favorable for CO 2 dissociation than the surface with monodentate-binding H 2 O. Direct dissociation was energetically favored by the former, whereas monodentate H 2 O facilitated the H-assisted pathway. The defective surface exhibited a higher reactivity for CO 2 decomposition than the perfect surface because the generation of oxygen vacancies could disperse the product location. When the defective surface was hydrated, the reciprocal action for vacancy and surface H 2 O on CO 2 dissociation was related to the vacancy type. The presence of H 2 O substantially decreased the reaction energy for the direct dissociation of CO 2 on O 2c1 - and O 3c2 -defect surfaces, which converts the endoergic reaction to an exoergic reaction. However, the increased decomposition barrier made the step kinetically unfavorable and reduced the reaction rate. When H 2 O was present on the O 2c2 -defect surface, both the barrier and reaction energy for direct dissociation were invariable. This result indicated that the introduction of H 2 O had little effect on the kinetics and thermodynamics. Moreover, the H-assisted pathway was suppressed on all hydrated defect surfaces. These results provide a theoretical perspective for the design of highly efficient catalysts.

Magnetic Random Access Memory based non-volatile asynchronous Muller cell for ultra-low power autonomous applications

NASA Astrophysics Data System (ADS)

Di Pendina, G.; Zianbetov, E.; Beigne, E.

2015-05-01

Micro and nano electronic integrated circuit domain is today mainly driven by the advent of the Internet of Things for which the constraints are strong, especially in terms of power consumption and autonomy, not only during the computing phases but also during the standby or idle phases. In such ultra-low power applications, the circuit has to meet new constraints mainly linked to its changing energetic environment: long idle phases, automatic wake up, data back-up when the circuit is sporadically turned off, and ultra-low voltage power supply operation. Such circuits have to be completely autonomous regarding their unstable environment, while remaining in an optimum energetic configuration. Therefore, we propose in this paper the first MRAM-based non-volatile asynchronous Muller cell. This cell has been simulated and characterized in a very advanced 28 nm CMOS fully depleted silicon-on-insulator technology, presenting good power performance results due to an extremely efficient body biasing control together with ultra-wide supply voltage range from 160 mV up to 920 mV. The leakage current can be reduced to 154 pA thanks to reverse body biasing. We also propose an efficient standard CMOS bulk version of this cell in order to be compatible with different fabrication processes.

Structural systems pharmacology: a new frontier in discovering novel drug targets.

PubMed

Tan, Hepan; Ge, Xiaoxia; Xie, Lei

2013-08-01

The modern target-based drug discovery process, characterized by the one-drug-one-gene paradigm, has been of limited success. In contrast, phenotype-based screening produces thousands of active compounds but gives no hint as to what their molecular targets are or which ones merit further research. This presents a question: What is a suitable target for an efficient and safe drug? In this paper, we argue that target selection should take into account the proteome-wide energetic and kinetic landscape of drug-target interactions, as well as their cellular and organismal consequences. We propose a new paradigm of structural systems pharmacology to deconvolute the molecular targets of successful drugs as well as to identify druggable targets and their drug-like binders. Here we face two major challenges in structural systems pharmacology: How do we characterize and analyze the structural and energetic origins of drug-target interactions on a proteome scale? How do we correlate the dynamic molecular interactions to their in vivo activity? We will review recent advances in developing new computational tools for biophysics, bioinformatics, chemoinformatics, and systems biology related to the identification of genome-wide target profiles. We believe that the integration of these tools will realize structural systems pharmacology, enabling us to both efficiently develop effective therapeutics for complex diseases and combat drug resistance.

Deuteron Beam Driven Fast Ignition of a Pre-Compressed Inertial Confinement Fusion (ICF) Fuel Capsule

NASA Astrophysics Data System (ADS)

Yang, Xiaoling; Miley, George; Flippo, Kirk; Hora, Heinrich; Gaillard, Sandrine; Offermann, Dustin

2012-10-01

We proposed to utilize a new ``Deuterium Cluster'' type structure for the laser interaction foil to generate an energetic deuteron beam as the fast igniter to ignite inertial confinement fusion fuel capsule. The benefit of deuteron beam driven fast ignition is that its deposition in the target fuel will not only provide heating but also fuse with fuel as they slow down in the target. The preliminary results from recent laser-deuteron acceleration experiment at LANL were encouraging. Also, in most recent calculations, we found that a 12.73% extra energy gain from deuteron beam-target fusion could be achieved when quasi-Maxwellian deuteron beam was assumed, and when a ρrb = 4.5 g/cm2 was considered, where ρ is the fuel density, and rb is the ion beam focusing radius on the target. These results provide some insight into the contribution of the extra heat produced by deuteron beam-target fusion to the hot spot ignition process. If the physics works as anticipated, this novel type of interaction foil can efficiently generate energetic deuterons during intense laser pulses. The massive yield of deuterons should turn out to be the most efficient way of igniting the DT fuel, making the dream of near-term commercialization of FI fusion more achievable.

Efficiency of lift production in flapping and gliding flight of swifts.

PubMed

Henningsson, Per; Hedenström, Anders; Bomphrey, Richard J

2014-01-01

Many flying animals use both flapping and gliding flight as part of their routine behaviour. These two kinematic patterns impose conflicting requirements on wing design for aerodynamic efficiency and, in the absence of extreme morphing, wings cannot be optimised for both flight modes. In gliding flight, the wing experiences uniform incident flow and the optimal shape is a high aspect ratio wing with an elliptical planform. In flapping flight, on the other hand, the wing tip travels faster than the root, creating a spanwise velocity gradient. To compensate, the optimal wing shape should taper towards the tip (reducing the local chord) and/or twist from root to tip (reducing local angle of attack). We hypothesised that, if a bird is limited in its ability to morph its wings and adapt its wing shape to suit both flight modes, then a preference towards flapping flight optimization will be expected since this is the most energetically demanding flight mode. We tested this by studying a well-known flap-gliding species, the common swift, by measuring the wakes generated by two birds, one in gliding and one in flapping flight in a wind tunnel. We calculated span efficiency, the efficiency of lift production, and found that the flapping swift had consistently higher span efficiency than the gliding swift. This supports our hypothesis and suggests that even though swifts have been shown previously to increase their lift-to-drag ratio substantially when gliding, the wing morphology is tuned to be more aerodynamically efficient in generating lift during flapping. Since body drag can be assumed to be similar for both flapping and gliding, it follows that the higher total drag in flapping flight compared with gliding flight is primarily a consequence of an increase in wing profile drag due to the flapping motion, exceeding the reduction in induced drag.

Efficiency of Lift Production in Flapping and Gliding Flight of Swifts

PubMed Central

Henningsson, Per; Hedenström, Anders; Bomphrey, Richard J.

2014-01-01

Many flying animals use both flapping and gliding flight as part of their routine behaviour. These two kinematic patterns impose conflicting requirements on wing design for aerodynamic efficiency and, in the absence of extreme morphing, wings cannot be optimised for both flight modes. In gliding flight, the wing experiences uniform incident flow and the optimal shape is a high aspect ratio wing with an elliptical planform. In flapping flight, on the other hand, the wing tip travels faster than the root, creating a spanwise velocity gradient. To compensate, the optimal wing shape should taper towards the tip (reducing the local chord) and/or twist from root to tip (reducing local angle of attack). We hypothesised that, if a bird is limited in its ability to morph its wings and adapt its wing shape to suit both flight modes, then a preference towards flapping flight optimization will be expected since this is the most energetically demanding flight mode. We tested this by studying a well-known flap-gliding species, the common swift, by measuring the wakes generated by two birds, one in gliding and one in flapping flight in a wind tunnel. We calculated span efficiency, the efficiency of lift production, and found that the flapping swift had consistently higher span efficiency than the gliding swift. This supports our hypothesis and suggests that even though swifts have been shown previously to increase their lift-to-drag ratio substantially when gliding, the wing morphology is tuned to be more aerodynamically efficient in generating lift during flapping. Since body drag can be assumed to be similar for both flapping and gliding, it follows that the higher total drag in flapping flight compared with gliding flight is primarily a consequence of an increase in wing profile drag due to the flapping motion, exceeding the reduction in induced drag. PMID:24587260

Towards improved photovoltaic conversion using dilute magnetic semiconductors (abstract only)

NASA Astrophysics Data System (ADS)

Olsson, Pär; Guillemoles, J.-F.; Domain, C.

2008-02-01

Present photovoltaic devices, based on p/n junctions, are limited from first principles to maximal efficiencies of 31% (40% under full solar concentration; Shockley and Queisser 1961 J. Appl. Phys. 32 510). However, more innovative schemes may overcome the Shockley-Queisser limit since the theoretical maximal efficiency of solar energy conversion is higher than 85% (Harder and Würfel 2003 Semicond. Sci. Technol. 18 S151). To date, the only practical realization of such an innovative scheme has been multi-junction devices, which at present hold the world record for efficiency at nearly 41% at significant solar concentration (US DOE news site: http://www.energy.gov/news/4503.htm). It has been proposed that one could make use of the solar spectrum in much the same way as the multi-junction devices do but in a single cell, using impurity induced intermediate levels to create gaps of different sizes. This intermediate level semiconductor (ILSC) concept (Green and Wenham 1994 Appl. Phys. Lett. 65 2907; Luque and Martí1997 Phys. Rev. Lett. 78 5014) has a maximal efficiency similar to that of multi-junction devices but suffers from prohibitively large non-radiative recombination rates. We here propose to use a ferromagnetic impurity scheme in order to reduce the non-radiative recombination rates while maintaining the high theoretical maximum efficiency of the ILSC scheme, that is about 46%. Using density functional theory calculations, the electronic and energetic properties of transition metal impurities for a wide range of semiconductors have been analysed. Of the several hundred compounds studied, only a few fulfil the design criteria that we present here. As an example, wide gap AlP is one of the most promising compounds. It was found that inclusion of significant amounts of Mn in AlP induces band structures providing conversion efficiencies potentially close to the theoretical maximum, with an estimated Curie temperature reaching above 100 K.

Electrical initiation of an energetic nanolaminate film

DOEpatents

Tringe, Joseph W.; Gash, Alexander E.; Barbee, Jr., Troy W.

2010-03-30

A heating apparatus comprising an energetic nanolaminate film that produces heat when initiated, a power source that provides an electric current, and a control that initiates the energetic nanolaminate film by directing the electric current to the energetic nanolaminate film and joule heating the energetic nanolaminate film to an initiation temperature. Also a method of heating comprising providing an energetic nanolaminate film that produces heat when initiated, and initiating the energetic nanolaminate film by directing an electric current to the energetic nanolaminate film and joule heating the energetic nanolaminate film to an initiation temperature.

The photobiological production of hydrogen: potential efficiency and effectiveness as a renewable fuel.

PubMed

Prince, Roger C; Kheshgi, Haroon S

2005-01-01

Photosynthetic microorganisms can produce hydrogen when illuminated, and there has been considerable interest in developing this to a commercially viable process. Its appealing aspects include the fact that the hydrogen would come from water, and that the process might be more energetically efficient than growing, harvesting, and processing crops. We review current knowledge about photobiological hydrogen production, and identify and discuss some of the areas where scientific and technical breakthroughs are essential for commercialization. First we describe the underlying biochemistry of the process, and identify some opportunities for improving photobiological hydrogen production at the molecular level. Then we address the fundamental quantum efficiency of the various processes that have been suggested, technological issues surrounding large-scale growth of hydrogen-producing microorganisms, and the scale and efficiency on which this would have to be practiced to make a significant contribution to current energy use.

Light-induced lattice expansion leads to high-efficiency perovskite solar cells

NASA Astrophysics Data System (ADS)

Tsai, Hsinhan; Asadpour, Reza; Blancon, Jean-Christophe; Stoumpos, Constantinos C.; Durand, Olivier; Strzalka, Joseph W.; Chen, Bo; Verduzco, Rafael; Ajayan, Pulickel M.; Tretiak, Sergei; Even, Jacky; Alam, Muhammad Ashraf; Kanatzidis, Mercouri G.; Nie, Wanyi; Mohite, Aditya D.

2018-04-01

Light-induced structural dynamics plays a vital role in the physical properties, device performance, and stability of hybrid perovskite–based optoelectronic devices. We report that continuous light illumination leads to a uniform lattice expansion in hybrid perovskite thin films, which is critical for obtaining high-efficiency photovoltaic devices. Correlated, in situ structural and device characterizations reveal that light-induced lattice expansion benefits the performances of a mixed-cation pure-halide planar device, boosting the power conversion efficiency from 18.5 to 20.5%. The lattice expansion leads to the relaxation of local lattice strain, which lowers the energetic barriers at the perovskite-contact interfaces, thus improving the open circuit voltage and fill factor. The light-induced lattice expansion did not compromise the stability of these high-efficiency photovoltaic devices under continuous operation at full-spectrum 1-sun (100 milliwatts per square centimeter) illumination for more than 1500 hours.

Experimental thermodynamics of single molecular motor

PubMed Central

Toyabe, Shoichi; Muneyuki, Eiro

2013-01-01

Molecular motor is a nano-sized chemical engine that converts chemical free energy to mechanical motions. Hence, the energetics is as important as kinetics in order to understand its operation principle. We review experiments to evaluate the thermodynamic properties of a rotational F1-ATPase motor (F1-motor) at a single-molecule level. We show that the F1-motor achieves 100% thermo dynamic efficiency at the stalled state. Furthermore, the motor reduces the internal irreversible heat inside the motor to almost zero and achieves a highly-efficient free energy transduction close to 100% during rotations far from quasistatic process. We discuss the mechanism of how the F1-motor achieves such a high efficiency, which highlights the remarkable property of the nano-sized engine F1-motor. PMID:27493546

Mechanics and energetics in tool manufacture and use: a synthetic approach.

PubMed

Wang, Liyu; Brodbeck, Luzius; Iida, Fumiya

2014-11-06

Tool manufacture and use are observed not only in humans but also in other animals such as mammals, birds and insects. Manufactured tools are used for biomechanical functions such as effective control of fluids and small solid objects and extension of reaching. These tools are passive and used with gravity and the animal users' own energy. From the perspective of evolutionary biology, manufactured tools are extended phenotypes of the genes of the animal and exhibit phenotypic plasticity. This incurs energetic cost of manufacture as compared to the case with a fixed tool. This paper studies mechanics and energetics aspects of tool manufacture and use in non-human beings. Firstly, it investigates possible mechanical mechanisms of the use of passive manufactured tools. Secondly, it formulates the energetic cost of manufacture and analyses when phenotypic plasticity benefits an animal tool maker and user. We take a synthetic approach and use a controlled physical model, i.e. a robot arm. The robot is capable of additively manufacturing scoop and gripper structures from thermoplastic adhesives to pick and place fluid and solid objects, mimicking primates and birds manufacturing tools for a similar function. We evaluate the effectiveness of tool use in pick-and-place and explain the mechanism for gripper tools picking up solid objects with a solid-mechanics model. We propose a way to formulate the energetic cost of tool manufacture that includes modes of addition and reshaping, and use it to analyse the case of scoop tools. Experiment results show that with a single motor trajectory, the robot was able to effectively pick and place water, rice grains, a pebble and a plastic box with a scoop tool or gripper tools that were manufactured by itself. They also show that by changing the dimension of scoop tools, the energetic cost of tool manufacture and use could be reduced. The work should also be interesting for engineers to design adaptive machines. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

Mechanics and energetics in tool manufacture and use: a synthetic approach

PubMed Central

Wang, Liyu; Brodbeck, Luzius; Iida, Fumiya

2014-01-01

Tool manufacture and use are observed not only in humans but also in other animals such as mammals, birds and insects. Manufactured tools are used for biomechanical functions such as effective control of fluids and small solid objects and extension of reaching. These tools are passive and used with gravity and the animal users' own energy. From the perspective of evolutionary biology, manufactured tools are extended phenotypes of the genes of the animal and exhibit phenotypic plasticity. This incurs energetic cost of manufacture as compared to the case with a fixed tool. This paper studies mechanics and energetics aspects of tool manufacture and use in non-human beings. Firstly, it investigates possible mechanical mechanisms of the use of passive manufactured tools. Secondly, it formulates the energetic cost of manufacture and analyses when phenotypic plasticity benefits an animal tool maker and user. We take a synthetic approach and use a controlled physical model, i.e. a robot arm. The robot is capable of additively manufacturing scoop and gripper structures from thermoplastic adhesives to pick and place fluid and solid objects, mimicking primates and birds manufacturing tools for a similar function. We evaluate the effectiveness of tool use in pick-and-place and explain the mechanism for gripper tools picking up solid objects with a solid-mechanics model. We propose a way to formulate the energetic cost of tool manufacture that includes modes of addition and reshaping, and use it to analyse the case of scoop tools. Experiment results show that with a single motor trajectory, the robot was able to effectively pick and place water, rice grains, a pebble and a plastic box with a scoop tool or gripper tools that were manufactured by itself. They also show that by changing the dimension of scoop tools, the energetic cost of tool manufacture and use could be reduced. The work should also be interesting for engineers to design adaptive machines. PMID:25209405

Reproductive Resilience to Food Shortage in a Small Heterothermic Primate

PubMed Central

Perret, Martine; Henry, Pierre-Yves

2012-01-01

The massive energetic costs entailed by reproduction in most mammalian females may increase the vulnerability of reproductive success to food shortage. Unexpected events of unfavorable climatic conditions are expected to rise in frequency and intensity as climate changes. The extent to which physiological flexibility allows organisms to maintain reproductive output constant despite energetic bottlenecks has been poorly investigated. In mammals, reproductive resilience is predicted to be maximal during early stages of reproduction, due to the moderate energetic costs of ovulation and gestation relative to lactation. We experimentally tested the consequences of chronic-moderate and short-acute food shortages on the reproductive output of a small seasonally breeding primate, the grey mouse lemur (Microcebus murinus) under thermo-neutral conditions. These two food treatments were respectively designed to simulate the energetic constraints imposed by a lean year (40% caloric restriction over eight months) or by a sudden, severe climatic event occurring shortly before reproduction (80% caloric restriction over a month). Grey mouse lemurs evolved under the harsh, unpredictable climate of the dry forest of Madagascar and should thus display great potential for physiological adjustments to energetic bottlenecks. We assessed the resilience of the early stages of reproduction (mating success, fertility, and gestation) to these contrasted food treatments, and on the later stages (lactation and offspring growth) in response to the chronic food shortage only. Food deprived mouse lemurs managed to maintain constant most reproductive parameters, including oestrus timing, estrogenization level at oestrus, mating success, litter size, and litter mass as well as their overall number of surviving offspring at weaning. However, offspring growth was delayed in food restricted mothers. These results suggest that heterothermic, fattening-prone mammals display important reproductive resilience to energetic bottlenecks. More generally, species living in variable and unpredictable habitats may have evolved a flexible reproductive physiology that helps buffer environmental fluctuations. PMID:22848507

Reproductive resilience to food shortage in a small heterothermic primate.

PubMed

Canale, Cindy I; Huchard, Elise; Perret, Martine; Henry, Pierre-Yves

2012-01-01

The massive energetic costs entailed by reproduction in most mammalian females may increase the vulnerability of reproductive success to food shortage. Unexpected events of unfavorable climatic conditions are expected to rise in frequency and intensity as climate changes. The extent to which physiological flexibility allows organisms to maintain reproductive output constant despite energetic bottlenecks has been poorly investigated. In mammals, reproductive resilience is predicted to be maximal during early stages of reproduction, due to the moderate energetic costs of ovulation and gestation relative to lactation. We experimentally tested the consequences of chronic-moderate and short-acute food shortages on the reproductive output of a small seasonally breeding primate, the grey mouse lemur (Microcebus murinus) under thermo-neutral conditions. These two food treatments were respectively designed to simulate the energetic constraints imposed by a lean year (40% caloric restriction over eight months) or by a sudden, severe climatic event occurring shortly before reproduction (80% caloric restriction over a month). Grey mouse lemurs evolved under the harsh, unpredictable climate of the dry forest of Madagascar and should thus display great potential for physiological adjustments to energetic bottlenecks. We assessed the resilience of the early stages of reproduction (mating success, fertility, and gestation) to these contrasted food treatments, and on the later stages (lactation and offspring growth) in response to the chronic food shortage only. Food deprived mouse lemurs managed to maintain constant most reproductive parameters, including oestrus timing, estrogenization level at oestrus, mating success, litter size, and litter mass as well as their overall number of surviving offspring at weaning. However, offspring growth was delayed in food restricted mothers. These results suggest that heterothermic, fattening-prone mammals display important reproductive resilience to energetic bottlenecks. More generally, species living in variable and unpredictable habitats may have evolved a flexible reproductive physiology that helps buffer environmental fluctuations.

The energetic implications of curtailing versus storing wind- and solar-generated electricity

NASA Astrophysics Data System (ADS)

Barnhart, C. J.; Dale, M.; Brandt, A. R.; Benson, S. M.

2013-12-01

Rapid deployment of power generation technologies harnessing wind and solar resources continues to reduce the carbon intensity of the power grid. But as these technologies comprise a larger fraction of power supply, their variable, weather-dependent nature poses challenges to power grid operation. Today, during times of power oversupply or unfavorable market conditions, power grid operators curtail these resources. Rates of curtailment are expected to increase with increased renewable electricity production. That is unless technologies are implemented that can provide grid flexibility to balance power supply with power demand. Curtailment is an obvious forfeiture of energy and it decreases the profitability of electricity from curtailed generators. What are less obvious are the energetic costs for technologies that provide grid flexibility. We present a theoretical framework to calculate how storage affects the energy return on energy investment (EROI) ratios of wind and solar resources. Our methods identify conditions under which it is more energetically favorable to store energy than it is to simply curtail electricity production. Electrochemically based storage technologies result in much smaller EROI ratios than large-scale geologically based storage technologies like compressed air energy storage (CAES) and pumped hydroelectric storage (PHS). All storage technologies paired with solar photovoltaic (PV) generation yield EROI ratios that are greater than curtailment. Due to their low energy stored on electrical energy invested (ESOIe) ratios, conventional battery technologies reduce the EROI ratios of wind generation below curtailment EROI ratios. To yield a greater net energy return than curtailment, battery storage technologies paired with wind generation need an ESOIe>80. We identify improvements in cycle life as the most feasible way to increase battery ESOIe. Depending upon the battery's embodied energy requirement, an increase of cycle life to 10,000--18,000 (2-20 times present values) is required for pairing with wind (assuming liberal round-trip efficiency [90%] and liberal depth-of-discharge [80%] values). Reducing embodied energy costs, increasing efficiency and increasing depth of discharge will also further improve the energetic performance of batteries. While this paper focuses on only one benefit of energy storage, the value of not curtailing electricity generation during periods of excess production, similar analyses could be used to draw conclusions about other benefits as well.

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

PubMed

Rauscher, Sarah; Neale, Chris; Pomès, Régis

2009-10-13

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

MAST - A mass spectrometer telescope for studies of the isotopic composition of solar, anomalous, and galactic cosmic ray nuclei

NASA Technical Reports Server (NTRS)

Cook, Walter R.; Cummings, Alan C.; Cummings, Jay R.; Garrard, Thomas L.; Kecman, Branislav; Mewaldt, Richard A.; Selesnick, Richard S.; Stone, Edward C.; Von Rosenvinge, T. T.

1993-01-01

The Mass Spectrometer Telescope (MAST) on SAMPEX is designed to provide high resolution measurements of the isotopic composition of energetic nuclei from He to Ni (Z = 2 to 28) over the energy range from about 10 to several hundred MeV/nuc. During large solar flares MAST will measure the isotopic abundances of solar energetic particles to determine directly the composition of the solar corona, while during solar quiet times MAST will study the isotopic composition of galactic cosmic rays. In addition, MAST will measure the isotopic composition of both interplanetary and trapped fluxes of anomalous cosmic rays, believed to be a sample of the nearby interstellar medium.

The energetics of hydrogen atom recombination - Analysis, experiments, and modeling. [in electrothermal propulsion system

NASA Technical Reports Server (NTRS)

Filpus, J. W.; Hawley, M. C.

1984-01-01

A theoretical investigation of the effect of the microscopic energetics of the recombination reaction on the performance of a microwave-plasma electrothermal propulsion system is described, and the results of the analysis are presented. A series of experiments to test the concept is described and analyzed by comparison with a computer model of the recombination reaction. It is concluded that internal energy considerations are not likely to significantly affect the design of a microwave-plasma electrothermal rocket. The experimental results indicate that the microwave power is far higher than the capacity of the gas to absorb it; the cooling needed to control the energy dominates the experimental results.

Optimal ciliary beating patterns

NASA Astrophysics Data System (ADS)

Vilfan, Andrej; Osterman, Natan

2011-11-01

We introduce a measure for energetic efficiency of single or collective biological cilia. We define the efficiency of a single cilium as Q2 / P , where Q is the volume flow rate of the pumped fluid and P is the dissipated power. For ciliary arrays, we define it as (ρQ) 2 / (ρP) , with ρ denoting the surface density of cilia. We then numerically determine the optimal beating patterns according to this criterion. For a single cilium optimization leads to curly, somewhat counterintuitive patterns. But when looking at a densely ciliated surface, the optimal patterns become remarkably similar to what is observed in microorganisms like Paramecium. The optimal beating pattern then consists of a fast effective stroke and a slow sweeping recovery stroke. Metachronal waves lead to a significantly higher efficiency than synchronous beating. Efficiency also increases with an increasing density of cilia up to the point where crowding becomes a problem. We finally relate the pumping efficiency of cilia to the swimming efficiency of a spherical microorganism and show that the experimentally estimated efficiency of Paramecium is surprisingly close to the theoretically possible optimum.

Efficiency of a thermodynamic motor at maximum power

NASA Astrophysics Data System (ADS)

Moreau, M.; Gaveau, B.; Schulman, L. S.

2012-02-01

Several recent theories address the efficiency of a macroscopic thermodynamic motor at maximum power and question the so-called Curzon-Ahlborn (CA) efficiency. Considering the entropy exchanges and productions in an n-sources motor, we study the maximization of its power and show that the controversies are partly due to some imprecision in the maximization variables. When power is maximized with respect to the system temperatures, these temperatures are proportional to the square root of the corresponding source temperatures, which leads to the CA formula for a bithermal motor. On the other hand, when power is maximized with respect to the transition durations, the Carnot efficiency of a bithermal motor admits the CA efficiency as a lower bound, which is attained if the duration of the adiabatic transitions can be neglected. Additionally, we compute the energetic efficiency, or “sustainable efficiency,” which can be defined for n sources, and we show that it has no other universal upper bound than 1, but that in certain situations, which are favorable for power production, it does not exceed ½.

Efficiency of a thermodynamic motor at maximum power.

PubMed

Moreau, M; Gaveau, B; Schulman, L S

2012-02-01

Several recent theories address the efficiency of a macroscopic thermodynamic motor at maximum power and question the so-called Curzon-Ahlborn (CA) efficiency. Considering the entropy exchanges and productions in an n-sources motor, we study the maximization of its power and show that the controversies are partly due to some imprecision in the maximization variables. When power is maximized with respect to the system temperatures, these temperatures are proportional to the square root of the corresponding source temperatures, which leads to the CA formula for a bithermal motor. On the other hand, when power is maximized with respect to the transition durations, the Carnot efficiency of a bithermal motor admits the CA efficiency as a lower bound, which is attained if the duration of the adiabatic transitions can be neglected. Additionally, we compute the energetic efficiency, or "sustainable efficiency," which can be defined for n sources, and we show that it has no other universal upper bound than 1, but that in certain situations, which are favorable for power production, it does not exceed ½. © 2012 American Physical Society

Efficient solar-driven synthesis, carbon capture, and desalinization, STEP: solar thermal electrochemical production of fuels, metals, bleach.

PubMed

Licht, S

2011-12-15

STEP (solar thermal electrochemical production) theory is derived and experimentally verified for the electrosynthesis of energetic molecules at solar energy efficiency greater than any photovoltaic conversion efficiency. In STEP the efficient formation of metals, fuels, chlorine, and carbon capture is driven by solar thermal heated endothermic electrolyses of concentrated reactants occuring at a voltage below that of the room temperature energy stored in the products. One example is CO(2) , which is reduced to either fuels or storable carbon at a solar efficiency of over 50% due to a synergy of efficient solar thermal absorption and electrochemical conversion at high temperature and reactant concentration. CO(2) -free production of iron by STEP, from iron ore, occurs via Fe(III) in molten carbonate. Water is efficiently split to hydrogen by molten hydroxide electrolysis, and chlorine, sodium, and magnesium from molten chlorides. A pathway is provided for the STEP decrease of atmospheric carbon dioxide levels to pre-industial age levels in 10 years. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Special section containing papers presented at the 13th IAEA Technical Meeting on Energetic Particles in Magnetic Confinement Systems (Beijing, China, 17-20 September 2013) Special section containing papers presented at the 13th IAEA Technical Meeting on Energetic Particles in Magnetic Confinement Systems (Beijing, China, 17-20 September 2013)

NASA Astrophysics Data System (ADS)

Lin, Z.

2014-10-01

In magnetic fusion plasmas, a significant fraction of the kinetic pressure is contributed by superthermal charged particles produced by auxiliary heating (fast ions and electrons) and fusion reactions (a-particles). Since these energetic particles are often far away from thermal equilibrium due to their non-Maxwellian distribution and steep pressure gradients, the free energy can excite electromagnetic instabilities to intensity levels well above the thermal fluctuations. The resultant electromagnetic turbulence could induce large transport of energetic particles, which could reduce heating efficiency, degrade overall plasma confinement, and damage fusion devices. Therefore, understanding and predicting energetic particle confinement properties are critical to the success of burning plasma experiments such as ITER since the ignition relies on plasma self-heating by a-particles. To promote international exchanges and collaborations on energetic particle physics, the biannual conference series under the auspices of the International Atomic Energy Agency (IAEA) were help in Kyiv (1989), Aspenas (1991), Trieste (1993), Princeton (1995), JET/Abingdon (1997), Naka (1999), Gothenburg (2001), San Diego (2003), Takayama (2005), Kloster Seeon (2007), Kyiv (2009), and Austin (2011). The papers in this special section were presented at the most recent meeting, the 13th IAEA Technical Meeting on Energetic Particles in Magnetic Confinement Systems, which was hosted by the Fusion Simulation Center, Peking University, Beijing, China (17-20 September 2013). The program of the meeting consisted of 71 presentations, including 13 invited talks, 26 oral contributed talks, 30 posters, and 2 summary talks, which were selected by the International Advisory Committee (IAC). The IAC members include H. Berk, L.G. Eriksson, A. Fasoli, W. Heidbrink, Ya. Kolesnichenko, Ph. Lauber, Z. Lin, R. Nazikian, S. Pinches, S. Sharapov, K. Shinohara, K. Toi, G. Vlad, and X.T. Ding. The conference program, abstracts of all papers, and slides of oral presentations are available at the conference website:www.phy.pku.edu.cn/fsc/w18419.jsp As a measure of the breadth in current research activities, a wide range of topics in energetic particle physics were covered in the meeting program, including dynamics of various Alfvén eigenmodes and energetic particle modes, energetic particle transport, energetic particle effects on magnetohydrodynamic (MHD) modes, runaway electrons, and diagnostics of energetic particles and neutrons. Energetic particle experiments were reported on tokamaks, stellarators, spherical tori, reversed field pinches, and linear devices. Most of the papers have direct comparisons between experimental data and simulation results, a very healthy trend in the research of energetic particle physics. As an indication for the depth in current research activities and possible future directions in energetic particle physics, some exciting progress reported at the meeting is highlighted here. The 3D fields of resonant magnetic perturbations (RMP) for controlling edge localized modes (ELM) are found to drive significant ripple loss of fast ions in DIII-D and ASDEX-U experiments. Similar loss is predicted for ITER RMP fields in the vacuum approximation. Fortunately, plasma response to RMP fields is found by the simulation to reduce the loss of fast ions and α-particles to a benign level. These results call for more accurate measurements and more reliable modeling of the plasma response to RMP fields in existing tokamak experiments and in future ITER experiments. Interesting progress on energetic particle transport by Alfvén eigenmodes was made in reduced 1D models based on the critical gradients model, in which energetic particle pressure gradients are relaxed to the local threshold of Alfvén eigenmode stability. Some experimental support for the critical gradient model was reported in DIII-D off-axis neutral beam injection (NBI) experiments, in which the fast-ion density relaxes to similar profiles for all injection angles. Further verification and validation of these reduced models by existing tokamak experiments and nonlinear simulations are needed. Impressive progress in first-principles simulations of Alfvén eigenmodes and energetic particle transport was prominently featured at the meeting. Rigorous verification and validation have been successfully carried out for global gyrokinetic simulations of Alfvén eigenmodes with kinetic effects of thermal plasmas and non-perturbative contributions by energetic particles. The gyrokinetic turbulence simulation provides an indispensable new capability for studying the nonlinear physics of energetic particles and Alfvén eigenmodes by incorporating important physics of radial variations and toroidal mode coupling. For example, gyrokinetic simulations have found nonlinear oscillations of Alfvén eigenmode amplitude and frequency consistent with experimental observations. With better understanding of linear and nonlinear properties of Alfvén eigenmodes, a fruitful future direction is the self-consistent simulation of energetic particle transport, which requires long time simulations of nonlinear interactions between multiple Alfvén eigenmodes. A significant step in this direction has been taken by MHD-gyrokinetic hybrid simulations, which have demonstrated that fast ion profile is flattened by enhanced transport due to resonance overlaps in multiple interacting Alfvén eigenmodes with realistic amplitudes. A very interesting physics here is that the re-distribution of the energetic particle profile by an initially dominant Alfvén eigenmode leads to the excitation of other Alfvén eigenmodes. The broaden phase space volume for the extraction of free energy can then drive large fluctuation amplitudes and enhanced energetic particle transport. Some experimental evidences of such indirect interaction of multiple modes through energetic particles were observed in JT-60U and ASDEX-U experiments. Thirteen papers presented at the meeting were reviewed to the usual high standard of Nuclear Fusion and published in this special section. On behalf of the IAC, I would like to thank all participants for their contributions to this conference and to thank Nuclear Fusion for publishing this special section. The next meeting of this series will be organized by Simon Pinches and will be held at the IAEA headquarters in Vienna, in the fall of 2015.

Comparison of maintenance energy requirement and energetic efficiency between lactating Holstein-Friesian and other groups of dairy cows.

PubMed

Dong, L F; Yan, T; Ferris, C P; McDowell, D A

2015-02-01

The objectives of the present study were to investigate the effects of cow group on energy expenditure and utilization efficiency. Data used were collated from 32 calorimetric chamber experiments undertaken from 1992 to 2010, with 823 observations from lactating Holstein-Friesian (HF) cows and 112 observations from other groups of lactating cows including Norwegian (n=50), Jersey × HF (n=46), and Norwegian × HF (n=16) cows. The metabolizable energy (ME) requirement for maintenance (MEm) for individual cows was calculated from heat production (HP) minus energy losses from inefficiencies of ME use for lactation, energy retention, and pregnancy. The efficiency of ME use for lactation (kl) was obtained from milk energy output adjusted to zero energy balance (El(0)) divided by ME available for production. The effects of cow groups were first evaluated using Norwegian cows against HF crossbred cows (F1 hybrid, Jersey × HF and Norwegian × HF). The results indicated no significant difference between the 2 groups in terms of energy digestibility, ratio of ME intake over gross energy intake, MEm (MJ per kg of metabolic body weight, MJ/kg(0.75)), or kl. Consequently, their data were combined (categorized as non-HF cows) and used to compare with those of HF cows. Again, we detected no significant difference in energy digestibility, ratio of ME intake over gross energy intake, MEm (MJ/kg(0.75)), or kl between non-HF and HF cows. The effects were further evaluated using linear regression to examine whether any significant differences existed between HF and non-HF cows in terms of relationships between ME intake and energetic parameters. With a common constant, no significant difference was observed between the 2 groups of cows in coefficients in each set of relationships between ME intake (MJ/kg(0.75)) and MEm (MJ/kg(0.75)), El(0) (MJ/kg(0.75)), HP (MJ/kg(0.75)), MEm:ME intake, El(0):ME intake, or HP:ME intake. However, MEm values (MJ/kg(0.75)) were positively related to ME intake (MJ/kg(0.75)), irrespective of cow group. We concluded, therefore, that cow groups evaluated in the present study had no significant effects on energy expenditure or energetic efficiency. However, the maintenance energy requirement (MJ/kg(0.75)) was not constant (as adopted in the majority of energy rationing systems across the world) but increased with increasing feed intake. Copyright © 2015 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

It Takes Two to Tango-Double-Layer Selective Contacts in Perovskite Solar Cells for Improved Device Performance and Reduced Hysteresis.

PubMed

Kegelmann, Lukas; Wolff, Christian M; Awino, Celline; Lang, Felix; Unger, Eva L; Korte, Lars; Dittrich, Thomas; Neher, Dieter; Rech, Bernd; Albrecht, Steve

2017-05-24

Solar cells made from inorganic-organic perovskites have gradually approached market requirements as their efficiency and stability have improved tremendously in recent years. Planar low-temperature processed perovskite solar cells are advantageous for possible large-scale production but are more prone to exhibiting photocurrent hysteresis, especially in the regular n-i-p structure. Here, a systematic characterization of different electron selective contacts with a variety of chemical and electrical properties in planar n-i-p devices processed below 180 °C is presented. The inorganic metal oxides TiO 2 and SnO 2 , the organic fullerene derivatives C 60 , PCBM, and ICMA, as well as double-layers with a metal oxide/PCBM structure are used as electron transport materials (ETMs). Perovskite layers deposited atop the different ETMs with the herein applied fabrication method show a similar morphology according to scanning electron microscopy. Further, surface photovoltage spectroscopy measurements indicate comparable perovskite absorber qualities on all ETMs, except TiO 2 , which shows a more prominent influence of defect states. Transient photoluminescence studies together with current-voltage scans over a broad range of scan speeds reveal faster charge extraction, less pronounced hysteresis effects, and higher efficiencies for devices with fullerene compared to those with metal oxide ETMs. Beyond this, only double-layer ETM structures substantially diminish hysteresis effects for all performed scan speeds and strongly enhance the power conversion efficiency up to a champion stabilized value of 18.0%. The results indicate reduced recombination losses for a double-layer TiO 2 /PCBM contact design: First, a reduction of shunt paths through the fullerene to the ITO layer. Second, an improved hole blocking by the wide band gap metal oxide. Third, decreased transport losses due to an energetically more favorable contact, as implied by photoelectron spectroscopy measurements. The herein demonstrated improvements of multilayer selective contacts may serve as a general design guideline for perovskite solar cells.

Response of energetic particles to local magnetic dipolarization inside geosynchronous orbit

NASA Astrophysics Data System (ADS)

Motoba, T.; Ohtani, S.; Gkioulidou, M.; Takahashi, K.

2017-12-01

Magnetic field dipolarization and energetic particle injections are the most distinct phenomena observed in the inner magnetosphere during the substorm expansion phase. Compared to a wealth of knowledge about the phenomenology of magnetic dipolarizations and particle injections at/outside geosynchronous orbit (GEO), our understanding of them inside GEO remains incomplete because of a very limited number of previous studies. In the present study, we statistically examine the response of 1-1000 keV energetic particles to local magnetic dipolarization by performing a superposed epoch analysis of energetic particle fluxes with the zero epoch defined as the dipolarization onset times. Based on data from the Van Allen Probes tail seasons in 2012-2016, we identified a total of 97 magnetic dipolarization events which occurred closer to the magnetic equator (i.e., BH, which is antiparallel to the Earth's dipole axis, is the dominant component of the local magnetic field at least for 5 min before the onset). For major ion species (hydrogen, helium, and oxygen ions), the relative flux intensity to the pre-onset level increases at > 50 keV and decreases at < 30 keV. The hydrogen and helium ion fluxes in the hundreds of keV range sharply increase within a minute after the onset and then decay. Compared to the short-lived nature of hydrogen and helium ion flux enhancements, oxygen ion fluxes are enhanced more gradually (on the order of several minutes). The relative ion flux intensity and peak energy generally tend to increase for stronger dipolarization-related impulsive westward electric field. This suggests that the impulsive electric field is responsible for the energization and/or transport of energetic ions inside GEO. On the other hand, the electron flux enhancement first appears from several tens of keV to a few hundreds of keV, and then exhibits an inverse energy dispersion. For dipolarizations with strong impulsive westward electric fields, the relative electron flux intensity increases up to 5-10 times, in particular most significant at several tens of keV. This result suggests that the impulsive electric field acts as an efficient factor in the rapid energization of the tens-of-keV electrons. We also discuss how the response of energetic particles to dipolarization depends on MLT, radial distance, and pitch angle.

Thermally enhanced photoluminescence for heat harvesting in photovoltaics

PubMed Central

Manor, Assaf; Kruger, Nimrod; Sabapathy, Tamilarasan; Rotschild, Carmel

2016-01-01

The maximal Shockley–Queisser efficiency limit of 41% for single-junction photovoltaics is primarily caused by heat dissipation following energetic-photon absorption. Solar-thermophotovoltaics concepts attempt to harvest this heat loss, but the required high temperatures (T>2,000 K) hinder device realization. Conversely, we have recently demonstrated how thermally enhanced photoluminescence is an efficient optical heat-pump that operates in comparably low temperatures. Here we theoretically and experimentally demonstrate such a thermally enhanced photoluminescence based solar-energy converter. Here heat is harvested by a low bandgap photoluminescent absorber that emits thermally enhanced photoluminescence towards a higher bandgap photovoltaic cell, resulting in a maximum theoretical efficiency of 70% at a temperature of 1,140 K. We experimentally demonstrate the key feature of sub-bandgap photon thermal upconversion with an efficiency of 1.4% at only 600 K. Experiments on white light excitation of a tailored Cr:Nd:Yb glass absorber suggest that conversion efficiencies as high as 48% at 1,500 K are in reach. PMID:27762271

Enhanced alkaline hydrolysis and biodegradability studies of nitrocellulose-bearing missile propellant

NASA Technical Reports Server (NTRS)

Sidhoum, Mohammed; Christodoulatos, Christos; Su, Tsan-Liang; Redis, Mercurios

1995-01-01

Large amounts of energetic materials which have been accumulated over the years in various manufacturing and military installations must be disposed of in an environmentally sound manner. Historically, the method of choice for destruction of obsolete or aging energetic materials has been open burning or open detonation (OB/OD). This destruction approach has become undesirable due to air pollution problems. Therefore, there is a need for new technologies which will effectively and economically deal with the disposal of energetic materials. Along those lines, we have investigated a chemical/biological process for the safe destruction and disposal of a double base solid rocket propellant (AHH), which was used in several 8 inch projectile systems. The solid propellant is made of nitrocellulose and nitroglycerin as energetic components, two lead salts which act as ballistic modifiers, triacetin as a plasticizer and 2-Nitrodiphenylamine (2-NDPA) as a stabilizer. A process train is being developed to convert the organic components of the propellant to biodegradable products and remove the lead from the process stream. The solid propellant is first hydrolyzed through an enhanced alkaline hydrolysis process step. Following lead removal and neutralization, the digested liquor rich in nitrates and nitrites is found to be easily biodegradable. The digestion rate of the intact ground propellant as well as the release of nitrite and nitrate groups were substantially increased when ultrasound were supplied to the alkaline reaction medium compared to the conventional alkaline hydrolysis. The effects of reaction time, temperature, sodium hydroxide concentration and other relevant parameters on the digestion efficiency and biodegradability have been studied. The present work indicates that the AHH propellant can be disposed of safely with a combination of physiochemical and biological processes.

Energy efficiency and pulmonary artery flow after balloon pulmonary angioplasty for inoperable, chronic thromboembolic pulmonary hypertension: Analysis by phase-contrast MRI.

PubMed

Nagao, Michinobu; Yamasaki, Yuzo; Abe, Kohtaro; Hosokawa, Kazuya; Kawanami, Satoshi; Kamitani, Takeshi; Yamanouchi, Torahiko; Yabuuchi, Hidetake; Fukushima, Kenji; Honda, Hiroshi

2017-02-01

The aims of this study were to propose a new quantitative method for pulmonary artery (PA) flow energetics using phase-contrast magnetic resonance imaging (PC-MRI), and to investigate how balloon pulmonary angioplasty (BPA) impacts energetics in chronic thromboembolic pulmonary hypertension (CTEPH). PC-MRI at 3-Teslar and with a flow sensitive gradient echo was used to examine energetics prior to and following BPA for 24 CTEPH patients. Stroke volume (m; ml) and mean velocity (V; mm/s) for the main pulmonary artery (PA), right PA, and left PA were calculated from a time-flow curve derived from PC-MRI. Based on the Bernoulli principle, PA energy was identified as 1/2mV 2 (μj/kg), and energy loss was defined as the following equation "energy loss=main PA energy-(rt. PA energy+lt. PA energy)". Right PA energy was significantly greater post-BPA than pre-BPA (61±55 vs. 32±40μj/kg). There was no difference in main PA and left PA energies. Energy loss was significantly decreased post-BPA (18±97μj/kg) than pre-BPA (79±125μj/kg). An optimal cutoff of left PA energy of 45μj/kg pre-BPA can be used to predict patients with mPAP≥30mmHg after BPA, with an area under the curve of 0.91, 78% sensitivity, and 92% specificity. Analysis of PA energetics using phase-contrast MRI demonstrates that BPA improves energy loss in CTEPH. In addition, BPA responses can be predicted by PA energy status pre-treatment. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Dietary nitrate increases arginine availability and protects mitochondrial complex I and energetics in the hypoxic rat heart

PubMed Central

Ashmore, Tom; Fernandez, Bernadette O; Branco-Price, Cristina; West, James A; Cowburn, Andrew S; Heather, Lisa C; Griffin, Julian L; Johnson, Randall S; Feelisch, Martin; Murray, Andrew J

2014-01-01

Hypoxic exposure is associated with impaired cardiac energetics in humans and altered mitochondrial function, with suppressed complex I-supported respiration, in rat heart. This response might limit reactive oxygen species generation, but at the cost of impaired electron transport chain (ETC) activity. Dietary nitrate supplementation improves mitochondrial efficiency and can promote tissue oxygenation by enhancing blood flow. We therefore hypothesised that ETC dysfunction, impaired energetics and oxidative damage in the hearts of rats exposed to chronic hypoxia could be alleviated by sustained administration of a moderate dose of dietary nitrate. Male Wistar rats (n = 40) were given water supplemented with 0.7 mmol l−1 NaCl (as control) or 0.7 mmol l−1 NaNO3, elevating plasma nitrate levels by 80%, and were exposed to 13% O2 (hypoxia) or normoxia (n = 10 per group) for 14 days. Respiration rates, ETC protein levels, mitochondrial density, ATP content and protein carbonylation were measured in cardiac muscle. Complex I respiration rates and protein levels were 33% lower in hypoxic/NaCl rats compared with normoxic/NaCl controls. Protein carbonylation was 65% higher in hearts of hypoxic rats compared with controls, indicating increased oxidative stress, whilst ATP levels were 62% lower. Respiration rates, complex I protein and activity, protein carbonylation and ATP levels were all fully protected in the hearts of nitrate-supplemented hypoxic rats. Both in normoxia and hypoxia, dietary nitrate suppressed cardiac arginase expression and activity and markedly elevated cardiac l-arginine concentrations, unmasking a novel mechanism of action by which nitrate enhances tissue NO bioavailability. Dietary nitrate therefore alleviates metabolic abnormalities in the hypoxic heart, improving myocardial energetics. PMID:25172947

Exercise efficiency of low power output cycling.

PubMed

Reger, M; Peterman, J E; Kram, R; Byrnes, W C

2013-12-01

Exercise efficiency at low power outputs, energetically comparable to daily living activities, can be influenced by homeostatic perturbations (e.g., weight gain/loss). However, an appropriate efficiency calculation for low power outputs used in these studies has not been determined. Fifteen active subjects (seven females, eight males) performed 14, 5-min cycling trials: two types of seated rest (cranks vertical and horizontal), passive (motor-driven) cycling, no-chain cycling, no-load cycling, cycling at low (10, 20, 30, 40 W), and moderate (50, 60, 80, 100, 120 W) power outputs. Mean delta efficiency was 57% for low power outputs compared to 41.3% for moderate power outputs. Means for gross (3.6%) and net (5.7%) efficiencies were low at the lowest power output. At low power outputs, delta and work efficiency values exceeded theoretical values. In conclusion, at low power outputs, none of the common exercise efficiency calculations gave values comparable to theoretical muscle efficiency. However, gross efficiency and the slope and intercept of the metabolic power vs mechanical power output regression provide insights that are still valuable when studying homeostatic perturbations. © 2012 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Energetic costs of producing muscle work and force in a cyclical human bouncing task

PubMed Central

Kuo, Arthur D.

2011-01-01

Muscles expend energy to perform active work during locomotion, but they may also expend significant energy to produce force, for example when tendons perform much of the work passively. The relative contributions of work and force to overall energy expenditure are unknown. We therefore measured the mechanics and energetics of a cyclical bouncing task, designed to control for work and force. We hypothesized that near bouncing resonance, little work would be performed actively by muscle, but the cyclical production of force would cost substantial metabolic energy. Human subjects (n = 9) bounced vertically about the ankles at inversely proportional frequencies (1–4 Hz) and amplitudes (15–4 mm), such that the overall rate of work performed on the body remained approximately constant (0.30 ± 0.06 W/kg), but the forces varied considerably. We used parameter identification to estimate series elasticity of the triceps surae tendon, as well as the work performed actively by muscle and passively by tendon. Net metabolic energy expenditure for bouncing at 1 Hz was 1.15 ± 0.31 W/kg, attributable mainly to active muscle work with an efficiency of 24 ± 3%. But at 3 Hz (near resonance), most of the work was performed passively, so that active muscle work could account for only 40% of the net metabolic rate of 0.76 ± 0.28 W/kg. Near resonance, a cost for cyclical force that increased with both amplitude and frequency of force accounted for at least as much of the total energy expenditure as a cost for work. Series elasticity reduces the need for active work, but energy must still be expended for force production. PMID:21212245

Discovery of Nine Gamma-Ray Pulsars in Fermi-Lat Data Using a New Blind Search Method

NASA Technical Reports Server (NTRS)

Celik-Tinmaz, Ozlem; Ferrara, E. C.; Pletsch, H. J.; Allen, B.; Aulbert, C.; Fehrmann, H.; Kramer, M.; Barr, E. D.; Champion, D. J.; Eatough, R. P.;

Discovery Of Nine Gamma-Ray Pulsars In Fermi Large Area Telescope Data Using A New Blind Search Method

DOE PAGES

Pletsch, H. J.; Guillemot, L.; Allen, B.; ...

2011-12-20

We report the discovery of nine previously unknown gamma-ray pulsars in a blind search of data from the Fermi Large Area Telescope (LAT). The pulsars were found with a novel hierarchical search method originally developed for detecting continuous gravitational waves from rapidly rotating neutron stars. Designed to find isolated pulsars spinning at up to kHz frequencies, the new method is computationally efficient, and incorporates several advances, including a metric-based gridding of the search parameter space (frequency, frequency derivative and sky location) and the use of photon probability weights. The nine pulsars have spin frequencies between 3 and 12 Hz, andmore » characteristic ages ranging from 17 kyr to 3 Myr. Two of them, PSRs J1803–2149 and J2111+4606, are young and energetic Galactic-plane pulsars (spin-down power above 6X10 35 erg s -1 and ages below 100 kyr). The seven remaining pulsars, PSRs J0106+4855, J0622+3749, J1620–4927, J1746–3239, J2028+3332, J2030+4415, J2139+4716, are older and less energetic; two of them are located at higher Galactic latitudes (jbj > 10°). PSR J0106+4855 has the largest characteristic age (3 Myr) and the smallest surface magnetic field (2X10 11G) of all LAT blind-search pulsars. PSR J2139+4716 has the lowest spin-down power (3X10 33 erg s -1) among all non-recycled gamma-ray pulsars ever found. Despite extensive multi-frequency observations, only PSR J0106+4855 has detectable pulsations in the radio band. The other eight pulsars belong to the increasing population of radio-quiet gamma-ray pulsars.« less

DISCOVERY OF NINE GAMMA-RAY PULSARS IN FERMI LARGE AREA TELESCOPE DATA USING A NEW BLIND SEARCH METHOD

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

Pletsch, H. J.; Allen, B.; Aulbert, C.

2012-01-10

We report the discovery of nine previously unknown gamma-ray pulsars in a blind search of data from the Fermi Large Area Telescope (LAT). The pulsars were found with a novel hierarchical search method originally developed for detecting continuous gravitational waves from rapidly rotating neutron stars. Designed to find isolated pulsars spinning at up to kHz frequencies, the new method is computationally efficient and incorporates several advances, including a metric-based gridding of the search parameter space (frequency, frequency derivative, and sky location) and the use of photon probability weights. The nine pulsars have spin frequencies between 3 and 12 Hz, andmore » characteristic ages ranging from 17 kyr to 3 Myr. Two of them, PSRs J1803-2149 and J2111+ 4606, are young and energetic Galactic-plane pulsars (spin-down power above 6 Multiplication-Sign 10{sup 35} erg s{sup -1} and ages below 100 kyr). The seven remaining pulsars, PSRs J0106+4855, J0622+3749, J1620-4927, J1746-3239, J2028+3332, J2030+4415, and J2139+4716, are older and less energetic; two of them are located at higher Galactic latitudes (|b| > 10 Degree-Sign ). PSR J0106+4855 has the largest characteristic age (3 Myr) and the smallest surface magnetic field (2 Multiplication-Sign 10{sup 11} G) of all LAT blind-search pulsars. PSR J2139+4716 has the lowest spin-down power (3 Multiplication-Sign 10{sup 33} erg s{sup -1}) among all non-recycled gamma-ray pulsars ever found. Despite extensive multi-frequency observations, only PSR J0106+4855 has detectable pulsations in the radio band. The other eight pulsars belong to the increasing population of radio-quiet gamma-ray pulsars.« less

Overview of Mono-Energetic Gamma-Ray Sources and Applications

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

Hartemann, Fred; /LLNL, Livermore; Albert, Felicie

2012-06-25

Recent progress in accelerator physics and laser technology have enabled the development of a new class of tunable gamma-ray light sources based on Compton scattering between a high-brightness, relativistic electron beam and a high intensity laser pulse produced via chirped-pulse amplification (CPA). A precision, tunable Mono-Energetic Gamma-ray (MEGa-ray) source driven by a compact, high-gradient X-band linac is currently under development and construction at LLNL. High-brightness, relativistic electron bunches produced by an X-band linac designed in collaboration with SLAC NAL will interact with a Joule-class, 10 ps, diode-pumped CPA laser pulse to generate tunable {gamma}-rays in the 0.5-2.5 MeV photon energymore » range via Compton scattering. This MEGaray source will be used to excite nuclear resonance fluorescence in various isotopes. Applications include homeland security, stockpile science and surveillance, nuclear fuel assay, and waste imaging and assay. The source design, key parameters, and current status are presented, along with important applications, including nuclear resonance fluorescence.« less

Supercritical water gasification of biomass for H2 production: process design.

PubMed

Fiori, Luca; Valbusa, Michele; Castello, Daniele

2012-10-01

The supercritical water gasification (SCWG) of biomass for H(2) production is analyzed in terms of process development and energetic self-sustainability. The conceptual design of a plant is proposed and the SCWG process involving several substrates (glycerol, microalgae, sewage sludge, grape marc, phenol) is simulated by means of AspenPlus™. The influence of various parameters - biomass concentration and typology, reaction pressure and temperature - is analyzed. The process accounts for the possibility of exploiting the mechanical energy of compressed syngas (later burned to sustain the SCWG reaction) through expansion in turbines, while purified H(2) is fed to fuel cells. Results show that the SCWG reaction can be energetically self-sustained if minimum feed biomass concentrations of 15-25% are adopted. Interestingly, the H(2) yields are found to be maximal at similar feed concentrations. Finally, an energy balance is performed showing that the whole process could provide a net power of about 150 kW(e)/(1000 kg(feed)/h). Copyright © 2012 Elsevier Ltd. All rights reserved.

Ignition behavior of an aluminum-bonded explosive (ABX)

NASA Astrophysics Data System (ADS)

Hardin, D. Barrett; Zhou, Min; Horie, Yasuyuki

2017-01-01

We report the results of a study on the ignition behavior of a novel concept and design of a heterogeneous energetic material system called ABX, or aluminum-bonded explosives. The idea is to replace the polymeric binder in polymer-bonded explosives (PBX) with aluminum. The motivation of this study is that a new design may have several desirable attributes, including, among others, electrical conductivity, higher mechanical strength, enhanced integrity, higher energy content, and enhanced thermal stability at elevated temperatures. The analysis carried out concerns the replacement of the Estane binder in a HMX/Estane PBX by aluminum. The HMX volume fraction in the PBX and HMX is approximately 81%. 2D mesoscale simulations are carried out, accounting for elasticity, viscoelasticity, elasto-viscoplasticity, fracture, internal friction, and thermal conduction. Results show that, relative to the PBX, the aluminum bonded explosives (ABX) show significantly less heating and lower ignition sensitivity under the same loading conditions. The findings appear to confirm the expected promise of ABX as a next-generation heterogeneous energetic material system with more desirable attributes.

A Forensic Workshop Report Concerning (1) The Measurement and Analysis of Energetic Materials and (2) Databasing

DTIC Science & Technology

1999-01-01

contaminating the surface. Research efforts to develop an improved sampling method have previously been limited to deposits made from solutions of explosives...explosive per fingerprint calculated in this way has too much variation to allow determination of sampling efficiency or to use this method to prepare...crystals is put into suspension, the actual amount is determined by usual methods including high-performance liquid chromatography (HPLC), gas

Electron energy deposition in N2 gas

NASA Technical Reports Server (NTRS)

Fox, J. L.; Victor, G. A.

1988-01-01

The processes by which energetic electrons lose energy in a weakly ionized gas of molecular nitrogen are analyzed and calculations are carried out taking into account the discrete nature of the excitation processes. The excitation, ionization, dissociation and heating efficiencies are computed for energies up to 200 eV absorbed in a gas with fractional ionizations varying from 10(-6) to 10(-2). Individual vibrational excitations up to the seventh vibrational level are presented.

Some contributions to energetics by the Lewis Research Center and a review of their potential non-aerospace applications

NASA Technical Reports Server (NTRS)

Graham, R. W.; Gutstein, M. U.

1972-01-01

The primary technology areas are aerospace propulsion, power and materials. As examples in these technologies, the programs in the fields of cryogenics and liquid metals are reviewed and potential non-aerospace applications for the results of these programs are discussed. These include such possibilities as: hydrogen as a non-polluting industrial fuel; more efficient central power stations; and powerplants for advanced ground transportation.

Energetics and Dynamics of Dissociation of Deprotonated Peptides: Fragmentation of Angiotensin Analogs

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

Laskin, Julia; Yang, Zhibo

2011-12-01

We present a first study of the energetics and dynamics of dissociation of deprotonated peptides using time- and collision-energy resolved surface-induced dissociation (SID) experiments. SID of four model peptides: RVYIHPF, HVYIHPF, DRVYIHPF, and DHVYIHPF was studied using a specially designed Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) configured for studying ion-surface collisions. Energy and entropy effects for the overall decomposition of the precursor ion were deduced by modeling the time- and collision energy-resolved survival curves using an RRKM based approach developed in our laboratory. The results were compared to the energetics and dynamics of dissociation of the correspondingmore » protonated species. We demonstrate that acidic peptides are less stable in the negative mode because of the low threshold associated with the kinetically hindered loss of H2O from [M-H]- ions. Comparison between the two basic peptides indicates that the lower stability of the [M-H]- ion of RVYIHPF as compared to HVYIHPF towards fragmentation is attributed to the differences in fragmentation mechanisms. Specifically, threshold energy associated with losses of NH3 and NHCNH from RVYIHPF is lower than the barrier for backbone fragmentation that dominates gas-phase decomposition of HVYIHPF. The results provide a first quantitative comparison between the energetics and dynamics of dissociation of [M+H]+ and [M-H]- ions of acidic and basic peptides.« less

Boosting protein stability with the computational design of β-sheet surfaces.

PubMed

Kim, Doo Nam; Jacobs, Timothy M; Kuhlman, Brian

2016-03-01

β-sheets often have one face packed against the core of the protein and the other facing solvent. Mutational studies have indicated that the solvent-facing residues can contribute significantly to protein stability, and that the preferred amino acid at each sequence position is dependent on the precise structure of the protein backbone and the identity of the neighboring amino acids. This suggests that the most advantageous methods for designing β-sheet surfaces will be approaches that take into account the multiple energetic factors at play including side chain rotamer preferences, van der Waals forces, electrostatics, and desolvation effects. Here, we show that the protein design software Rosetta, which models these energetic factors, can be used to dramatically increase protein stability by optimizing interactions on the surfaces of small β-sheet proteins. Two design variants of the β-sandwich protein from tenascin were made with 7 and 14 mutations respectively on its β-sheet surfaces. These changes raised the thermal midpoint for unfolding from 45°C to 64°C and 74°C. Additionally, we tested an empirical approach based on increasing the number of potential salt bridges on the surfaces of the β-sheets. This was not a robust strategy for increasing stability, as three of the four variants tested were unfolded. © 2016 The Protein Society.

Solar particle event storm shelter requirements for missions beyond low Earth orbit.

PubMed

Townsend, L W; Adams, J H; Blattnig, S R; Clowdsley, M S; Fry, D J; Jun, I; McLeod, C D; Minow, J I; Moore, D F; Norbury, J W; Norman, R B; Reames, D V; Schwadron, N A; Semones, E J; Singleterry, R C; Slaba, T C; Werneth, C M; Xapsos, M A

2018-05-01

Protecting spacecraft crews from energetic space radiations that pose both chronic and acute health risks is a critical issue for future missions beyond low Earth orbit (LEO). Chronic health risks are possible from both galactic cosmic ray and solar energetic particle event (SPE) exposures. However, SPE exposures also can pose significant short term risks including, if dose levels are high enough, acute radiation syndrome effects that can be mission- or life-threatening. In order to address the reduction of short term risks to spaceflight crews from SPEs, we have developed recommendations to NASA for a design-standard SPE to be used as the basis for evaluating the adequacy of proposed radiation shelters for cislunar missions beyond LEO. Four SPE protection requirements for habitats are proposed: (1) a blood-forming-organ limit of 250 mGy-equivalent for the design SPE; (2) a design reference SPE environment equivalent to the sum of the proton spectra during the October 1989 event series; (3) any necessary assembly of the protection system must be completed within 30 min of event onset; and (4) space protection systems must be designed to ensure that astronaut radiation exposures follow the ALARA (As Low As Reasonably Achievable) principle. Copyright © 2018. Published by Elsevier Ltd.

Nucleotides containing variously modified sugars: energetics, structure, and mechanical properties.

PubMed

Yurenko, Yevgen P; Novotný, Jan; Nikolaienko, Tymofii Yu; Marek, Radek

2016-01-21

The influence of various sugar residue modifications on intrinsic energetic, conformational, and mechanical properties of 2'-deoxyribonucleotide-5'-monophosphates (dNs) was comprehensively investigated using modern quantum chemical approaches. In total, fourteen sugar modifications, including double bonds and heteroatoms (S and N) inside the sugar ring, as well as fluorination in various positions, were analyzed. Among hundreds of possible conformational states of dNs, only two - AI and BI, corresponding to the most biologically significant forms of a double-helical DNA, were considered for each dN. It was established that the most of the studied modifications tend to strongly stabilize either AI or BI conformation of dNs both in the gas phase and in aqueous solution (modelled by implicit solvent models). Therefore, some of these modifications can be used as a tool for reducing structural polymorphism of nucleic acids in solution as well as for designing oligonucleotides with specific structural features. The evaluation of relaxed force constants (RFC) for glycosidic bonds suggests that the majority of the studied modifications of the sugar residue yield increased strengths of glycosidic bonds in dNs, and can therefore be used for designing modified nucleic acids with an increased resistance to abasic lesions. The most significant reinforcement of the glycosidic bond occurs in dNs containing the CF2 group instead of the O4' oxygen and the fluorine atom at the 2'-α-position. The calculation of the RFC and vibrational root-mean-square (VRMS) deviations for conformational degrees of freedom revealed a strong dependence between mechanical properties of dNs and their energetic characteristics. In particular, electronic energies of AI and BI conformers of dNs calculated in vacuo are closely connected with the values of relaxed force constants (RFC) for the δ angle: the higher RFC(δ) values correspond to more energetically favorable conformers.

A Direct Grain-Boundary-Activity Correlation for CO Electroreduction on Cu Nanoparticles

PubMed Central

2016-01-01

Copper catalyzes the electrochemical reduction of CO to valuable C2+ products including ethanol, acetate, propanol, and ethylene. These reactions could be very useful for converting renewable energy into fuels and chemicals, but conventional Cu electrodes are energetically inefficient and have poor selectivity for CO vs H2O reduction. Efforts to design improved catalysts have been impeded by the lack of experimentally validated, quantitative structure–activity relationships. Here we show that CO reduction activity is directly correlated to the density of grain boundaries (GBs) in Cu nanoparticles (NPs). We prepared electrodes of Cu NPs on carbon nanotubes (Cu/CNT) with different average GB densities quantified by transmission electron microscopy. At potentials ranging from −0.3 V to −0.5 V vs the reversible hydrogen electrode, the specific activity for CO reduction to ethanol and acetate was linearly proportional to the fraction of NP surfaces comprised of GB surface terminations. Our results provide a design principle for CO reduction to ethanol and acetate on Cu. GB-rich Cu/CNT electrodes are the first NP catalysts with significant CO reduction activity at moderate overpotential, reaching a mass activity of up to ∼1.5 A per gram of Cu and a Faradaic efficiency >70% at −0.3 V. PMID:27163043

A Direct Grain-Boundary-Activity Correlation for CO Electroreduction on Cu Nanoparticles.

PubMed

Feng, Xiaofeng; Jiang, Kaili; Fan, Shoushan; Kanan, Matthew W

2016-03-23

Copper catalyzes the electrochemical reduction of CO to valuable C2+ products including ethanol, acetate, propanol, and ethylene. These reactions could be very useful for converting renewable energy into fuels and chemicals, but conventional Cu electrodes are energetically inefficient and have poor selectivity for CO vs H2O reduction. Efforts to design improved catalysts have been impeded by the lack of experimentally validated, quantitative structure-activity relationships. Here we show that CO reduction activity is directly correlated to the density of grain boundaries (GBs) in Cu nanoparticles (NPs). We prepared electrodes of Cu NPs on carbon nanotubes (Cu/CNT) with different average GB densities quantified by transmission electron microscopy. At potentials ranging from -0.3 V to -0.5 V vs the reversible hydrogen electrode, the specific activity for CO reduction to ethanol and acetate was linearly proportional to the fraction of NP surfaces comprised of GB surface terminations. Our results provide a design principle for CO reduction to ethanol and acetate on Cu. GB-rich Cu/CNT electrodes are the first NP catalysts with significant CO reduction activity at moderate overpotential, reaching a mass activity of up to ∼1.5 A per gram of Cu and a Faradaic efficiency >70% at -0.3 V.

Improving post-detonation energetics residues estimations for the Life Cycle Environmental Assessment process for munitions.

PubMed

Walsh, Michael; Gullett, Brian; Walsh, Marianne; Bigl, Matthew; Aurell, Johanna

2018-03-01

The Life Cycle Environmental Assessment (LCEA) process for military munitions tracks possible environmental impacts incurred during all phases of the life of a munition. The greatest energetics-based emphasis in the current LCEA process is on manufacturing. A review of recent LCEAs indicates that energetics deposition on ranges from detonations and disposal during training is only peripherally examined through assessment of combustion products derived from closed-chamber testing or models. These assessments rarely report any measurable energetic residues. Field-testing of munitions for energetics residues deposition has demonstrated that over 30% of some energetic compounds remain after detonation, which conflicts with the LCEA findings. A study was conducted in the open environment to determine levels of energetics residue deposition and if combustion product results can be correlated with empirical deposition results. Energetics residues deposition, post-detonation combustion products, and fine aerosolized energetics particles following open-air detonation of blocks of Composition C4 (510 g RDX/block) were quantified. The deposited residues amounted to 3.6 mg of energetic per block of C4, or less than 0.001% of the original energetics. Aerial emissions of energetics were about 7% of the amount of deposited energetics. This research indicates that aerial combustion products analysis can provide a valuable supplement to energetics deposition data in the LCEA process but is insufficient alone to account for total residual energetics. This study demonstrates a need for the environmental testing of munitions to quantify energetics residues from live-fire training. Published by Elsevier Ltd.

Surface energetics and protein-protein interactions: analysis and mechanistic implications

PubMed Central

Peri, Claudio; Morra, Giulia; Colombo, Giorgio

2016-01-01

Understanding protein-protein interactions (PPI) at the molecular level is a fundamental task in the design of new drugs, the prediction of protein function and the clarification of the mechanisms of (dis)regulation of biochemical pathways. In this study, we use a novel computational approach to investigate the energetics of aminoacid networks located on the surface of proteins, isolated and in complex with their respective partners. Interestingly, the analysis of individual proteins identifies patches of surface residues that, when mapped on the structure of their respective complexes, reveal regions of residue-pair couplings that extend across the binding interfaces, forming continuous motifs. An enhanced effect is visible across the proteins of the dataset forming larger quaternary assemblies. The method indicates the presence of energetic signatures in the isolated proteins that are retained in the bound form, which we hypothesize to determine binding orientation upon complex formation. We propose our method, BLUEPRINT, as a complement to different approaches ranging from the ab-initio characterization of PPIs, to protein-protein docking algorithms, for the physico-chemical and functional investigation of protein-protein interactions. PMID:27050828

PET - A proton/electron telescope for studies of magnetospheric, solar, and galactic particles

NASA Technical Reports Server (NTRS)

Cook, Walter R.; Cummings, Alan C.; Cummings, Jay R.; Garrard, Thomas L.; Kecman, Branislav; Mewaldt, Richard A.; Selesnick, Richard S.; Stone, Edward C.; Baker, Daniel N.; Von Rosenvinge, Tycho T.

1993-01-01

The Proton/Electron Telescope (PET) on SAMPEX is designed to provide measurements of energetic electrons and light nuclei from solar, galactic, and magnetospheric sources. PET is an all solid-state system that will measure the differential energy spectra of electrons from about 1 to about 30 MeV and H and He nuclei from about 20 to about 300 MeV/nuc, with isotope resolution of H and He extending from about 20 to about 80 MeV/nuc. As SAMPEX scans all local times and geomagnetic cutoffs over the course of its near-polar orbit, PET will characterize precipitating relativistic electron events during periods of declining solar activity, and it will examine whether the production rate of odd nitrogen and hydrogen molecules in the middle atmosphere by precipitating electrons is sufficient to affect O3 depletion. In addition, PET will complement studies of the elemental and isotopic composition of energetic heavy (Z greater than 2) nuclei on SAMPEX by providing measurements of H, He, and electrons. Finally, PET has limited capability to identify energetic positrons from potential natural and man-made sources.

Energetics and Dynamics Across the Bcl-2-Regulated Apoptotic Pathway Reveal Distinct Evolutionary Determinants of Specificity and Affinity.

PubMed

Ivanov, Stefan M; Huber, Roland G; Warwicker, Jim; Bond, Peter J

2016-11-01

Critical regulatory pathways are replete with instances of intra- and interfamily protein-protein interactions due to the pervasiveness of gene duplication throughout evolution. Discerning the specificity determinants within these systems has proven a challenging task. Here, we present an energetic analysis of the specificity determinants within the Bcl-2 family of proteins (key regulators of the intrinsic apoptotic pathway) via a total of ∼20 μs of simulation of 60 distinct protein-protein complexes. We demonstrate where affinity and specificity of protein-protein interactions arise across the family, and corroborate our conclusions with extensive experimental evidence. We identify energy and specificity hotspots that may offer valuable guidance in the design of targeted therapeutics for manipulating the protein-protein interactions within the apoptosis-regulating pathway. Moreover, we propose a conceptual framework that allows us to quantify the relationship between sequence, structure, and binding energetics. This approach may represent a general methodology for investigating other paralogous protein-protein interaction sites. Copyright © 2016 Elsevier Ltd. All rights reserved.

Programming interfacial energetic offsets and charge transfer in β-Pb 0.33V 2O 5/quantum-dot heterostructures: Tuning valence-band edges to overlap with midgap states

DOE PAGES

Pelcher, Kate E.; Milleville, Christopher C.; Wangoh, Linda; ...

2016-12-06

Here, semiconductor heterostructures for solar energy conversion interface light-harvesting semiconductor nanoparticles with wide-band-gap semiconductors that serve as charge acceptors. In such heterostructures, the kinetics of charge separation depend on the thermodynamic driving force, which is dictated by energetic offsets across the interface. A recently developed promising platform interfaces semiconductor quantum dots (QDs) with ternary vanadium oxides that have characteristic midgap states situated between the valence and conduction bands. In this work, we have prepared CdS/β-Pb 0.33V 2O 5 heterostructures by both linker-assisted assembly and surface precipitation and contrasted these materials with CdSe/β-Pb 0.33V 2O 5 heterostructures prepared by the samemore » methods. Increased valence-band (VB) edge onsets in X-ray photoelectron spectra for CdS/β-Pb 0.33V 2O 5 heterostructures relative to CdSe/β-Pb 0.33V 2O 5 heterostructures suggest a positive shift in the VB edge potential and, therefore, an increased driving force for the photoinduced transfer of holes to the midgap state of β-Pb 0.33V 2O 5. This approach facilitates a ca. 0.40 eV decrease in the thermodynamic barrier for hole injection from the VB edge of QDs suggesting an important design parameter. Transient absorption spectroscopy experiments provide direct evidence of hole transfer from photoexcited CdS QDs to the midgap states of β-Pb 0.33V 2O 5 NWs, along with electron transfer into the conduction band of the β-Pb 0.33V 2O 5 NWs. Hole transfer is substantially faster and occurs at <1-ps time scales, whereas completion of electron transfer requires 5—30 ps depending on the nature of the interface. The differentiated time scales of electron and hole transfer, which are furthermore tunable as a function of the mode of attachment of QDs to NWs, provide a vital design tool for designing architectures for solar energy conversion. More generally, the approach developed here suggests that interfacing semiconductor QDs with transition-metal oxide NWs exhibiting intercalative midgap states yields a versatile platform wherein the thermodynamics and kinetics of charge transfer can be systematically modulated to improve the efficiency of charge separation across interfaces.« less

Programming interfacial energetic offsets and charge transfer in β-Pb 0.33V 2O 5/quantum-dot heterostructures: Tuning valence-band edges to overlap with midgap states

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

Pelcher, Kate E.; Milleville, Christopher C.; Wangoh, Linda

Here, semiconductor heterostructures for solar energy conversion interface light-harvesting semiconductor nanoparticles with wide-band-gap semiconductors that serve as charge acceptors. In such heterostructures, the kinetics of charge separation depend on the thermodynamic driving force, which is dictated by energetic offsets across the interface. A recently developed promising platform interfaces semiconductor quantum dots (QDs) with ternary vanadium oxides that have characteristic midgap states situated between the valence and conduction bands. In this work, we have prepared CdS/β-Pb 0.33V 2O 5 heterostructures by both linker-assisted assembly and surface precipitation and contrasted these materials with CdSe/β-Pb 0.33V 2O 5 heterostructures prepared by the samemore » methods. Increased valence-band (VB) edge onsets in X-ray photoelectron spectra for CdS/β-Pb 0.33V 2O 5 heterostructures relative to CdSe/β-Pb 0.33V 2O 5 heterostructures suggest a positive shift in the VB edge potential and, therefore, an increased driving force for the photoinduced transfer of holes to the midgap state of β-Pb 0.33V 2O 5. This approach facilitates a ca. 0.40 eV decrease in the thermodynamic barrier for hole injection from the VB edge of QDs suggesting an important design parameter. Transient absorption spectroscopy experiments provide direct evidence of hole transfer from photoexcited CdS QDs to the midgap states of β-Pb 0.33V 2O 5 NWs, along with electron transfer into the conduction band of the β-Pb 0.33V 2O 5 NWs. Hole transfer is substantially faster and occurs at <1-ps time scales, whereas completion of electron transfer requires 5—30 ps depending on the nature of the interface. The differentiated time scales of electron and hole transfer, which are furthermore tunable as a function of the mode of attachment of QDs to NWs, provide a vital design tool for designing architectures for solar energy conversion. More generally, the approach developed here suggests that interfacing semiconductor QDs with transition-metal oxide NWs exhibiting intercalative midgap states yields a versatile platform wherein the thermodynamics and kinetics of charge transfer can be systematically modulated to improve the efficiency of charge separation across interfaces.« less

Effect of amino acid mutations on intra-dimer tubulin-tubulin binding strength of microtubules.

PubMed

Liu, Ning; Pidaparti, Ramana; Wang, Xianqiao

2017-12-11

Energetic interactions inside αβ-tubulin dimers of a microtubule (MT) with atomic resolutions are of importance in determining the mechanical properties and structural stability of the MT as well as designing self-assembled functional structures from it. Here, we carry out several comprehensive atomistic simulations to investigate the interaction properties within αβ-tubulin dimers and effect of residue mutations on the intra-dimer tubulin-tubulin (IDTT) binding strength. Results indicate that the force-displacement responses of the dimer could be roughly divided into three stages involving increasing, decreasing, and fluctuating forces. Energetic analysis shows that electrostatic interactions dominate the IDTT binding strength. Further per-residue energetic analysis shows that the major part of the interface interaction energy (approximately 72% for α-tubulin and 62% for β-tubulin) comes from amino acid residues with net charges, namely arginine (ARG), lysine (LYS), glutamic acid (GLU), aspartic acid (ASP). Residue mutations are completed for ARG105 on α-tubulin and ASP251 on β-tubulin to study the effect of mutations on the IDTT binding strength. Results indicate that stiffness, rupture force, and interface interaction energy of αβ-tubulin dimer can be improved by up to 28%, 13% and 28%, respectively. Overall, our results provide a thorough atomistic understanding of the IDTT binding strength within αβ-tubulin heterodimers and help pave the way for eventually designing and controlling the self-assembled functional structures from MTs.

DEMONSTRATION BULLETIN: EX-SITU ANAEROBIC BIOREMEDIATION TECHNOLOGY - TNT - J.R. SIMPLOT COMPANY

EPA Science Inventory

The J. R. Simplot Ex-Situ Anaerobic Bioremediation System, also known as the J.R. Simplot Anaerobic Biological Remediaton Process (the SABRE™ Process), is a technology designed to destroy nitroaromatic and energetic compounds. The process does not evolve any known toxic intermedi...

Multiobjective evolutionary algorithm with many tables for purely ab initio protein structure prediction.

PubMed

Brasil, Christiane Regina Soares; Delbem, Alexandre Claudio Botazzo; da Silva, Fernando Luís Barroso

2013-07-30

This article focuses on the development of an approach for ab initio protein structure prediction (PSP) without using any earlier knowledge from similar protein structures, as fragment-based statistics or inference of secondary structures. Such an approach is called purely ab initio prediction. The article shows that well-designed multiobjective evolutionary algorithms can predict relevant protein structures in a purely ab initio way. One challenge for purely ab initio PSP is the prediction of structures with β-sheets. To work with such proteins, this research has also developed procedures to efficiently estimate hydrogen bond and solvation contribution energies. Considering van der Waals, electrostatic, hydrogen bond, and solvation contribution energies, the PSP is a problem with four energetic terms to be minimized. Each interaction energy term can be considered an objective of an optimization method. Combinatorial problems with four objectives have been considered too complex for the available multiobjective optimization (MOO) methods. The proposed approach, called "Multiobjective evolutionary algorithms with many tables" (MEAMT), can efficiently deal with four objectives through the combination thereof, performing a more adequate sampling of the objective space. Therefore, this method can better map the promising regions in this space, predicting structures in a purely ab initio way. In other words, MEAMT is an efficient optimization method for MOO, which explores simultaneously the search space as well as the objective space. MEAMT can predict structures with one or two domains with RMSDs comparable to values obtained by recently developed ab initio methods (GAPFCG , I-PAES, and Quark) that use different levels of earlier knowledge. Copyright © 2013 Wiley Periodicals, Inc.

Wing-wake interaction reduces power consumption in insect tandem wings

NASA Astrophysics Data System (ADS)

Lehmann, Fritz-Olaf

Insects are capable of a remarkable diversity of flight techniques. Dragonflies, in particular, are notable for their powerful aerial manoeuvres and endurance during prey catching or territory flights. While most insects such as flies, bees and wasps either reduced their hinds wings or mechanically coupled fore and hind wings, dragonflies have maintained two independent-controlled pairs of wings throughout their evolution. An extraordinary feature of dragonfly wing kinematics is wing phasing, the shift in flapping phase between the fore and hind wing periods. Wing phasing has previously been associated with an increase in thrust production, readiness for manoeuvrability and hunting performance. Recent studies have shown that wing phasing in tandem wings produces a twofold modulation in hind wing lift, but slightly reduces the maximum combined lift of fore and hind wings, compared to two wings flapping in isolation. Despite this disadvantage, however, wing phasing is effective in improving aerodynamic efficiency during flight by the removal of kinetic energy from the wake. Computational analyses demonstrate that this increase in flight efficiency may save up to 22% aerodynamic power expenditure compared to insects flapping only two wings. In terms of engineering, energetic benefits in four-wing flapping are of substantial interest in the field of biomimetic aircraft design, because the performance of man-made air vehicles is often limited by high-power expenditure rather than by lift production. This manuscript provides a summary on power expenditures and aerodynamic efficiency in flapping tandem wings by investigating wing phasing in a dynamically scaled robotic model of a hovering dragonfly.

Wing-wake interaction reduces power consumption in insect tandem wings

NASA Astrophysics Data System (ADS)

Lehmann, Fritz-Olaf

2009-05-01

Insects are capable of a remarkable diversity of flight techniques. Dragonflies, in particular, are notable for their powerful aerial manoeuvres and endurance during prey catching or territory flights. While most insects such as flies, bees and wasps either reduced their hinds wings or mechanically coupled fore and hind wings, dragonflies have maintained two independent-controlled pairs of wings throughout their evolution. An extraordinary feature of dragonfly wing kinematics is wing phasing, the shift in flapping phase between the fore and hind wing periods. Wing phasing has previously been associated with an increase in thrust production, readiness for manoeuvrability and hunting performance. Recent studies have shown that wing phasing in tandem wings produces a twofold modulation in hind wing lift, but slightly reduces the maximum combined lift of fore and hind wings, compared to two wings flapping in isolation. Despite this disadvantage, however, wing phasing is effective in improving aerodynamic efficiency during flight by the removal of kinetic energy from the wake. Computational analyses demonstrate that this increase in flight efficiency may save up to 22% aerodynamic power expenditure compared to insects flapping only two wings. In terms of engineering, energetic benefits in four-wing flapping are of substantial interest in the field of biomimetic aircraft design, because the performance of man-made air vehicles is often limited by high-power expenditure rather than by lift production. This manuscript provides a summary on power expenditures and aerodynamic efficiency in flapping tandem wings by investigating wing phasing in a dynamically scaled robotic model of a hovering dragonfly.

Flapping wing flight can save aerodynamic power compared to steady flight.

PubMed

Pesavento, Umberto; Wang, Z Jane

2009-09-11

Flapping flight is more maneuverable than steady flight. It is debated whether this advantage is necessarily accompanied by a trade-off in the flight efficiency. Here we ask if any flapping motion exists that is aerodynamically more efficient than the optimal steady motion. We solve the Navier-Stokes equation governing the fluid dynamics around a 2D flapping wing, and determine the minimal aerodynamic power needed to support a specified weight. While most flapping wing motions are more costly than the optimal steady wing motion, we find that optimized flapping wing motions can save up to 27% of the aerodynamic power required by the optimal steady flight. We explain the cause of this energetic advantage.

Hybrid photosynthesis-powering biocatalysts with solar energy captured by inorganic devices.

PubMed

Zhang, Tian; Tremblay, Pier-Luc

2017-01-01

The biological reduction of CO 2 driven by sunlight via photosynthesis is a crucial process for life on earth. However, the conversion efficiency of solar energy to biomass by natural photosynthesis is low. This translates in bioproduction processes relying on natural photosynthesis that are inefficient energetically. Recently, hybrid photosynthetic technologies with the potential of significantly increasing the efficiency of solar energy conversion to products have been developed. In these systems, the reduction of CO 2 into biofuels or other chemicals of interest by biocatalysts is driven by solar energy captured with inorganic devices such as photovoltaic cells or photoelectrodes. Here, we explore hybrid photosynthesis and examine the strategies being deployed to improve this biotechnology.

Numerically robust and efficient nonlocal electron transport in 2D DRACO simulations

NASA Astrophysics Data System (ADS)

Cao, Duc; Chenhall, Jeff; Moses, Greg; Delettrez, Jacques; Collins, Tim

2013-10-01

An improved implicit algorithm based on Schurtz, Nicolai and Busquet (SNB) algorithm for nonlocal electron transport is presented. Validation with direct drive shock timing experiments and verification with the Goncharov nonlocal model in 1D LILAC simulations demonstrate the viability of this efficient algorithm for producing 2D lagrangian radiation hydrodynamics direct drive simulations. Additionally, simulations provide strong incentive to further modify key parameters within the SNB theory, namely the ``mean free path.'' An example 2D polar drive simulation to study 2D effects of the nonlocal flux as well as mean free path modifications will also be presented. This research was supported by the University of Rochester Laboratory for Laser Energetics.

Models of charge pair generation in organic solar cells.

PubMed

Few, Sheridan; Frost, Jarvist M; Nelson, Jenny

2015-01-28

Efficient charge pair generation is observed in many organic photovoltaic (OPV) heterojunctions, despite nominal electron-hole binding energies which greatly exceed the average thermal energy. Empirically, the efficiency of this process appears to be related to the choice of donor and acceptor materials, the resulting sequence of excited state energy levels and the structure of the interface. In order to establish a suitable physical model for the process, a range of different theoretical studies have addressed the nature and energies of the interfacial states, the energetic profile close to the heterojunction and the dynamics of excited state transitions. In this paper, we review recent developments underpinning the theory of charge pair generation and phenomena, focussing on electronic structure calculations, electrostatic models and approaches to excited state dynamics. We discuss the remaining challenges in achieving a predictive approach to charge generation efficiency.

Development of a custom-made "smart-sphere" to assess incipient entrainment by rolling

NASA Astrophysics Data System (ADS)

Valyrakis, Manousos; Kitsikoudis, Vasileios; Alexakis, Athanasios; Trinder, Jon

2017-04-01

The most widely applied criterion for sediment incipient motion in engineering applications is the time- and space-averaged approach of critical Shields shear stress. Nonetheless, in the recent years published research has highlighted the importance of turbulence fluctuations in sediment incipient motion and its stochastic character. The present experimental study investigates statistically the link of the response of a "smart-pebble" to hydrodynamics in near-critical flow conditions and discusses how such a device can be utilized in engineering design. A set of specifically designed fluvial experiments monitoring the entrainment conditions for a "smart-pebble", were carried out in a tilting, recirculating flume in turbulent flow conditions while three-dimensional flow measurements were obtained with an acoustic Doppler velocimeter. The "smart-pebble" employed herein is a custom-made instrumented sphere with 7 cm diameter, which has a number of sensors embedded within its waterproof 3D-printed plastic shell. Specifically, the "smart-pebble" is equipped with miniaturized, off the shelf, low-cost, three-dimensional acceleration, orientation and angular displacement sensors. A 3D-printed local micro topography of known geometry was installed in the flume's test section and the "smart-pebble" was placed there in order to facilitate the analysis. Every time the "smart-sphere" is displaced by the flow a downstream located pin blocks its full entrainment. This allows for continuous recording of the entrainment events due to the passage of energetic events, after which the "smart-pebble" returns to its resting pocket. The "smart-pebble" device under such a configuration allows the recording of normally indiscernible (with the naked eye) vibrations, twitching motions, and full entrainments for the studied particle, allowing its analysis from a Langrangian framework. During the incipient motion experiments the retrieved data are stored in an internal memory unit or transferred online with short-range Wi-Fi antennas. In addition, two high-speed commercial cameras are used to monitor the process and provide additional information. The hydrodynamic force that the "smart-pebble" is subject to is expressed with the recently proposed impulse and energy criteria, which imply that a sufficient energetic turbulent flow structure requires not only a hydrodynamic force above a certain threshold but this force has to be exerted for sufficient time for momentum transfer to occur efficiently. It is found that the probability of entrainment for the "smart-pebble" is linked to the number of energetic flow events above a threshold level. The findings of this experimental study aim to shed more light in coarse sediment incipient motion and pave the way for the utilization of such devices in the field in actual engineering applications.

The second evolution of ionic liquids: from solvents and separations to advanced materials--energetic examples from the ionic liquid cookbook.

PubMed

Smiglak, Marcin; Metlen, Andreas; Rogers, Robin D

2007-11-01

In this Account of the small portion of the recent research in ionic liquids (ILs) by the Rogers Group, we fast forward through the first evolution of IL research, where ILs were studied for their unique set of physical properties and the resulting potential for tunable "green solvents", to the second evolution of ILs, where the tunability of the cation and anion independently offers almost unlimited access to targeted combinations of physical and chemical properties. This approach is demonstrated here with the field of energetic ionic liquids (EILs), which utilizes this design flexibility to find safe synthetic routes to ILs with high energy content and targeted physical properties.

Metabolic Plasticity and Inter-Compartmental Interactions in Rice Metabolism: An Analysis from Reaction Deletion Study.

PubMed

Shaw, Rahul; Kundu, Sudip

2015-01-01

More than 20% of the total caloric intake of human population comes from rice. The expression of rice genes and hence, the concentration of enzymatic proteins might vary due to several biotic and abiotic stresses. It in turn, can influence the overall metabolism and survivability of rice plant. Thus, understanding the rice cellular metabolism, its plasticity and potential readjustments under different perturbations can help rice biotechnologists to design efficient rice cultivars. Here, using the flux balance analysis (FBA) method, with the help of in-silico reaction deletion strategy, we study the metabolic plasticity of genome-scale metabolic model of rice leaf. A set of 131 reactions, essential for the production of primary biomass precursors is identified; deletion of any of them can inhibit the overall biomass production. Usability Index (IU) for the rest of the reactions are estimated and based on this parameter, they are classified into three categories-maximally-favourable, quasi-favourable and unfavourable for the primary biomass production. The lower value of 1 - IU of a reaction suggests that the cell cannot easily bypass it for biomass production. While some of the alternative paths are energetically equally efficient, others demand for higher photon. The variations in (i) ATP/NADPH ratio, (ii) exchange of metabolites through chloroplastic transporters and (iii) total biomass production are also presented here. Mutual metabolic dependencies of different cellular compartments are also demonstrated.

Portable Neutron Sensors for Emergency Response Operations

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

,

2012-06-24

This article presents the experimental work performed in the area of neutron detector development at the Remote Sensing Laboratory–Andrews Operations (RSL-AO) sponsored by the U.S. Department of Energy, National Nuclear Security Administration (NNSA) in the last four years. During the 1950s neutron detectors were developed mostly to characterize nuclear reactors where the neutron flux is high. Due to the indirect nature of neutron detection via interaction with other particles, neutron counting and neutron energy measurements have never been as precise as gamma-ray counting measurements and gamma-ray spectroscopy. This indirect nature is intrinsic to all neutron measurement endeavors (except perhaps formore » neutron spin-related experiments, viz. neutron spin-echo measurements where one obtains μeV energy resolution). In emergency response situations generally the count rates are low, and neutrons may be scattered around in inhomogeneous intervening materials. It is also true that neutron sensors are most efficient for the lowest energy neutrons, so it is not as easy to detect and count energetic neutrons. Most of the emergency response neutron detectors are offshoots of nuclear device diagnostics tools and special nuclear materials characterization equipment, because that is what is available commercially. These instruments mostly are laboratory equipment, and not field-deployable gear suited for mobile teams. Our goal is to design and prototype field-deployable, ruggedized, lightweight, efficient neutron detectors.« less

Global linear gyrokinetic simulation of energetic particle-driven instabilities in the LHD stellarator

DOE PAGES

Spong, Donald A.; Holod, Ihor; Todo, Y.; ...

2017-06-23

Energetic particles are inherent to toroidal fusion systems and can drive instabilities in the Alfvén frequency range, leading to decreased heating efficiency, high heat fluxes on plasma-facing components, and decreased ignition margin. The applicability of global gyrokinetic simulation methods to macroscopic instabilities has now been demonstrated and it is natural to extend these methods to 3D configurations such as stellarators, tokamaks with 3D coils and reversed field pinch helical states. This has been achieved by coupling the GTC global gyrokinetic PIC model to the VMEC equilibrium model, including 3D effects in the field solvers and particle push. Here, this papermore » demonstrates the application of this new capability to the linearized analysis of Alfvénic instabilities in the LHD stellarator. For normal shear iota profiles, toroidal Alfvén instabilities in the n = 1 and 2 toroidal mode families are unstable with frequencies in the 75 to 110 kHz range. Also, an LHD case with non-monotonic shear is considered, indicating reductions in growth rate for the same energetic particle drive. Finally, since 3D magnetic fields will be present to some extent in all fusion devices, the extension of gyrokinetic models to 3D configurations is an important step for the simulation of future fusion systems.« less

Flap or soar? How a flight generalist responds to its aerial environment

PubMed Central

2016-01-01

The aerial environment is heterogeneous in space and time and directly influences the costs of animal flight. Volant animals can reduce these costs by using different flight modes, each with their own benefits and constraints. However, the extent to which animals alter their flight modes in response to environmental conditions has rarely been studied in the wild. To provide insight into how a flight generalist can reduce the energetic cost of movement, we studied flight behaviour in relation to the aerial environmental and landscape using hundreds of hours of global positioning system and triaxial acceleration measurements of the lesser black-backed gull (Larus fuscus). Individuals differed largely in the time spent in flight, which increased linearly with the time spent in flight at sea. In general, flapping was used more frequently than more energetically efficient soaring flight. The probability of soaring increased with increasing boundary layer height and time closer to midday, reflecting improved convective conditions supportive of thermal soaring. Other forms of soaring flight were also used, including fine-scale use of orographic lift. We explore the energetic consequences of behavioural adaptations to the aerial environment and underlying landscape and implications for individual energy budgets, foraging ecology and reproductive success. This article is part of the themed issue ‘Moving in a moving medium: new perspectives on flight’. PMID:27528785

Flap or soar? How a flight generalist responds to its aerial environment.

PubMed

Shamoun-Baranes, Judy; Bouten, Willem; van Loon, E Emiel; Meijer, Christiaan; Camphuysen, C J

2016-09-26

The aerial environment is heterogeneous in space and time and directly influences the costs of animal flight. Volant animals can reduce these costs by using different flight modes, each with their own benefits and constraints. However, the extent to which animals alter their flight modes in response to environmental conditions has rarely been studied in the wild. To provide insight into how a flight generalist can reduce the energetic cost of movement, we studied flight behaviour in relation to the aerial environmental and landscape using hundreds of hours of global positioning system and triaxial acceleration measurements of the lesser black-backed gull (Larus fuscus). Individuals differed largely in the time spent in flight, which increased linearly with the time spent in flight at sea. In general, flapping was used more frequently than more energetically efficient soaring flight. The probability of soaring increased with increasing boundary layer height and time closer to midday, reflecting improved convective conditions supportive of thermal soaring. Other forms of soaring flight were also used, including fine-scale use of orographic lift. We explore the energetic consequences of behavioural adaptations to the aerial environment and underlying landscape and implications for individual energy budgets, foraging ecology and reproductive success.This article is part of the themed issue 'Moving in a moving medium: new perspectives on flight'. © 2016 The Author(s).

Conformational elasticity can facilitate TALE-DNA recognition

PubMed Central

Lei, Hongxing; Sun, Jiya; Baldwin, Enoch P.; Segal, David J.; Duan, Yong

2015-01-01

Sequence-programmable transcription activator-like effector (TALE) proteins have emerged as a highly efficient tool for genome engineering. Recent crystal structures depict a transition between an open unbound solenoid and more compact DNA-bound solenoid formed by the 34 amino acid repeats. How TALEs switch conformation between these two forms without substantial energetic compensation, and how the repeat-variable di-residues (RVDs) discriminate between the cognate base and other bases still remain unclear. Computational analysis on these two aspects of TALE-DNA interaction mechanism has been conducted in order to achieve a better understanding of the energetics. High elasticity was observed in the molecular dynamics simulations of DNA-free TALE structure that started from the bound conformation where it sampled a wide range of conformations including the experimentally determined apo- and bound- conformations. This elastic feature was also observed in the simulations starting from the apo form which suggests low free energy barrier between the two conformations and small compensation required upon binding. To analyze binding specificity, we performed free energy calculations of various combinations of RVDs and bases using Poisson-Boltzmann/surface area (PBSA) and other approaches. The PBSA calculations indicated that the native RVD-base structures had lower binding free energy than mismatched structures for most of the RVDs examined. Our theoretical analyses provided new insight on the dynamics and energetics of TALE-DNA binding mechanism. PMID:24629191

Urinary C-peptide as a method for monitoring body mass changes in captive bonobos (Pan paniscus).

PubMed

Deschner, Tobias; Kratzsch, Jürgen; Hohmann, Gottfried

2008-11-01

In recent years methodological improvements have allowed for more precise estimates of nutrient intake in wild primates. However, estimates of energetic condition have remained relatively imprecise due to the difficulties of estimating digestive efficiency and energy expenditure in these animals. In the absence of a reliable intake-expenditure calculation, a method is needed that directly links changes in energetic condition, such as body mass, to physiological changes that can be detected via markers in body excretions such as urine or feces. One promising marker is C-peptide, a metabolic byproduct of insulin synthesis. Here we present the results of a food restriction experiment carried out in a group of captive bonobos (Pan paniscus). We measured changes in food availability and body mass and determined urinary C-peptide levels with the help of a time-resolved fluoroimmunoassay routinely used for measuring C-peptide in human blood. Urinary C-peptide levels decreased during a period of food restriction and increased again when food availability was continuously increased. During this refeeding phase an increase in body mass was significantly correlated with an increase in urinary C-peptide levels. Our results suggest that urinary C-peptide levels are an accurate indicator of individual energy balance. In conclusion, measuring C-peptide in urine is a promising method to quantify the energetic condition of wild apes.

Energetics, adaptation, and adaptability.

PubMed

Ulijaszek, Stanley J

1996-01-01

Energy capture and conversion are fundamental to human existence, and over the past three decades biological anthropologists have used a number of approaches which incorporate energetics measures in studies of human population biology. Human groups can vary enormously in their energy expenditure. This review considers evidence for genetic adaptation and presents models for physiological adaptability to reduced physiological energy availability and/or negative energy balance. In industrialized populations, different aspects of energy expenditure have been shown to have a genetic component, including basal metabolic rate, habitual physical activity level, mechanical efficiency of work performance, and thermic effect of food. Metabolic adaptation to low energy intakes has been demonstrated in populations in both developing and industrialized nations. Thyroid hormone-related effects on energy metabolic responses to low physiological energy availability are unified in a model, linking energetic adaptability in physical activity and maintenance metabolism. Negative energy balance has been shown to be associated with reduced reproductive function in women experiencing seasonal environments in some developing countries. Existing models relating negative energy balance to menstrual or ovulatory function are largely descriptive, and do not propose any physiological mechanisms for this phenomenon. A model is proposed whereby reduced physiological energy availability could influence ovulatory function via low serum levels of the amino acid aspartate and reduced sympathetic nervous system activity. © 1996 Wiley-Liss, Inc. Copyright © 1996 Wiley-Liss, Inc.

Adsorption structures and energetics of molecules on metal surfaces: Bridging experiment and theory

NASA Astrophysics Data System (ADS)

Maurer, Reinhard J.; Ruiz, Victor G.; Camarillo-Cisneros, Javier; Liu, Wei; Ferri, Nicola; Reuter, Karsten; Tkatchenko, Alexandre

2016-05-01

Adsorption geometry and stability of organic molecules on surfaces are key parameters that determine the observable properties and functions of hybrid inorganic/organic systems (HIOSs). Despite many recent advances in precise experimental characterization and improvements in first-principles electronic structure methods, reliable databases of structures and energetics for large adsorbed molecules are largely amiss. In this review, we present such a database for a range of molecules adsorbed on metal single-crystal surfaces. The systems we analyze include noble-gas atoms, conjugated aromatic molecules, carbon nanostructures, and heteroaromatic compounds adsorbed on five different metal surfaces. The overall objective is to establish a diverse benchmark dataset that enables an assessment of current and future electronic structure methods, and motivates further experimental studies that provide ever more reliable data. Specifically, the benchmark structures and energetics from experiment are here compared with the recently developed van der Waals (vdW) inclusive density-functional theory (DFT) method, DFT + vdWsurf. In comparison to 23 adsorption heights and 17 adsorption energies from experiment we find a mean average deviation of 0.06 Å and 0.16 eV, respectively. This confirms the DFT + vdWsurf method as an accurate and efficient approach to treat HIOSs. A detailed discussion identifies remaining challenges to be addressed in future development of electronic structure methods, for which the here presented benchmark database may serve as an important reference.

Conformational elasticity can facilitate TALE-DNA recognition.

PubMed

Lei, Hongxing; Sun, Jiya; Baldwin, Enoch P; Segal, David J; Duan, Yong

2014-01-01

Sequence-programmable transcription activator-like effector (TALE) proteins have emerged as a highly efficient tool for genome engineering. Recent crystal structures depict a transition between an open unbound solenoid and more compact DNA-bound solenoid formed by the 34 amino acid repeats. How TALEs switch conformation between these two forms without substantial energetic compensation, and how the repeat-variable di-residues (RVDs) discriminate between the cognate base and other bases still remain unclear. Computational analysis on these two aspects of TALE-DNA interaction mechanism has been conducted in order to achieve a better understanding of the energetics. High elasticity was observed in the molecular dynamics simulations of DNA-free TALE structure that started from the bound conformation where it sampled a wide range of conformations including the experimentally determined apo and bound conformations. This elastic feature was also observed in the simulations starting from the apo form which suggests low free energy barrier between the two conformations and small compensation required upon binding. To analyze binding specificity, we performed free energy calculations of various combinations of RVDs and bases using Poisson-Boltzmann surface area (PBSA) and other approaches. The PBSA calculations indicated that the native RVD-base structures had lower binding free energy than mismatched structures for most of the RVDs examined. Our theoretical analyses provided new insight on the dynamics and energetics of TALE-DNA binding mechanism. © 2014 Elsevier Inc. All rights reserved.

An Exploratory Investigation of the Influence of Igniter Chemistry on Ignition in Porous Bed Gun Propellants

DTIC Science & Technology

1981-09-01

nitrocellulose igniter materials using the Ignition Energetics Characterization Device (IECD). The results presented herein represent Phase II eperimental ...auxiliary test cham- bcz is a combustion gas diagnostic section designed to permit determination of the composition and enthalpy level of the gases...removal/assembly and propellant loading. 2.2 Igniter Characteristics 2.2.1 Baseline Igniter The igniter system, Figure 2.3, is designed to provide overall

[Nutrition sciences in the treatment of eating disorders].

PubMed

Haas, Verena; Boschmann, Michael

2015-01-01

Several studies provide evidence for the existence of a hypermetabolic state of biological origin in recently weight recovered patients with anorexia nervosa. It remains unclear if current nutritional rehabilitation strategies are consistent with the resulting high energy requirements. Further insight into specific pathophysiological characteristics of energetic efficiency in patients with anorexia nervosa will help us to provide evidence based nutritional guidance. Basic nutritional research in this field is urgently required. © Georg Thieme Verlag KG Stuttgart · New York.

Mechanics, Hydrodynamics and Energetics of Blue Whale Lunge Feeding: Efficiency Dependence on Krill Density

DTIC Science & Technology

2011-01-01

obtained these morphometric data from blue whale specimens reposited at the National Museum of Natural History in Washington, DC (USNM 124326), the Santa...mouth-closing stage. The basic distance scale for this force is set by the ratio Ac/whead, calculated from Eqn A4, and the morphometrics of the body...allometry of mammalian metabolic rate supports niether geometric nor quarter-power scaling. Evolution 63, 2658-2667. Williams, T. M. (1999). The

Innovative Research Program: Supershields for Gamma-Ray Astronomy

NASA Technical Reports Server (NTRS)

Hailey, Charles J.

2000-01-01

The supershield project evaluated the importance of novel shield configurations for suppressing neutron induced background in new classes of gamma-ray detectors such as CZT. The basic concept was to use a two-part shield. The outer shield material heavily moderates the incoming neutron spectrum. This moderated neutron beam is then more easily absorbed by the inner material, which is an efficient neutron absorber. This approach is, in principle, more efficient than that in previous attempts to make neutron shields. These previous attempts involved biatomic, monlithic shields (eg. LiH) in which the shield consisted of a single material but with two types of atoms - one for moderating and one for absorbing. The problem with this type of monolithic shield is that moderating neutrons, without the efficient absorption of them, leads to the leakage into the detector of neutrons with a low energy component (approx. 10-100 KeV). These energy neutrons are particularly problematic for many types of detectors. The project was roughly divided into phases. In the first phase we attempted to carefully define the neutron source function incident on any space instrument. This is essential since the design of any shield depends on the shape of the incident neutron spectrum. We found that approximations commonly used in gamma-ray astronomy for photon background is inadequate. In addition, we found that secondary neutrons produced in any passive shield, and dominated by inelastic neutron scattering, are far more important than background due to neutron activation. The second phase of our work involved design of supershield geometries (one and three dimensional) in order to compare different shield configurations and materials for their effectiveness as neutron shields. Moreover we wanted to compare these supershields with previous neutron shields to confirm the performance differences between the supershield (two material) and monolithic (one material) designs and to understand the physics origins of these differences more clearly. The third phase of the supershield program involved the benchmarking of the supershield designs through direct experimental verification. This required fabricating various supershields and exposing them to beams of neutrons to directly characterize their performance. With explicit verification that our modeling procedures can be used with confidence, we are now in a position to design shields for realistic space geometries. Using the supershield modeling capacity developed as part of this program we are attempting to evaluate their utility for a specific proposed mission--the Energetic X-ray Imaging Survey Telescope (EXIST). It is anticipated that this experiment, which is limited by internal background at high energies, might benefit from a neutron shield.